{"id":88,"date":"2013-12-06T11:56:43","date_gmt":"2013-12-06T11:56:43","guid":{"rendered":"https:\/\/sites.ifi.unicamp.br\/padraoteste\/?page_id=28"},"modified":"2017-04-03T17:27:46","modified_gmt":"2017-04-03T17:27:46","slug":"publicacoes","status":"publish","type":"page","link":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/","title":{"rendered":"Publications"},"content":{"rendered":"<p><\/p>\n<style type=\"text\/css\">\nselect {\n    max-width: 33%;\n}\n<\/style>\n<div class=\"teachpress_pub_list\"><form name=\"tppublistform\" method=\"get\"><a name=\"tppubs\" id=\"tppubs\"><\/a><div class=\"tp_search_input\"><input name=\"tsr\" id=\"tp_search_input_field\" type=\"search\" placeholder=\"Enter search word\" value=\"\" tabindex=\"1\"\/><div class=\"teachpress_search_button\"><input name=\"tps_button\" class=\"tp_search_button\" type=\"submit\" tabindex=\"10\" value=\"Search\"\/><\/div><\/div><\/form><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">386 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 20 <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=20&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><div class=\"teachpress_publication_list\"><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">1.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Malviya, Kirtman D;  Oliveira, Eliezer F;  Autreto, Pedro A S;  Ajayan, Pulickel M;  Galvao, D S;  Tiwary, Candra S;  Chattopadhyay, Kumanio<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('438','tp_links')\" style=\"cursor:pointer;\">Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physics D: Applied Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 52, <\/span><span class=\"tp_pub_additional_number\">no. 44, <\/span><span class=\"tp_pub_additional_pages\">pp. 445304, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_438\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('438','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_438\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('438','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_438\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('438','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_438\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Malviya2019,<br \/>\r\ntitle = {Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study},<br \/>\r\nauthor = {Malviya, Kirtman D and Oliveira, Eliezer F and Autreto, Pedro A S and Ajayan, Pulickel M and Galvao, D S and Tiwary, Candra S and Chattopadhyay, Kumanio},<br \/>\r\nurl = {https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta},<br \/>\r\ndoi = {10.1088\/1361-6463\/ab36d1},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-08-20},<br \/>\r\njournal = {Journal of Physics D: Applied Physics},<br \/>\r\nvolume = {52},<br \/>\r\nnumber = {44},<br \/>\r\npages = {445304},<br \/>\r\nabstract = {In two-component metallic systems, thermodynamic immiscibility leads to phase separation<br \/>\r\nsuch as in two-phase eutectic compositional alloys. The limit of the immiscibility of<br \/>\r\ncomponent elements under non-equilibrium conditions have been explored, but achieving<br \/>\r\ncomplete miscibility and formation of single phase microstructures in eutectic alloys would<br \/>\r\nbe unprecedented. Here we report that during low-temperature ball milling that provides high<br \/>\r\nenergy impact, complete mixing of phases can occur in immiscible Ag-Cu eutectic alloys.<br \/>\r\nFrom combined theoretical and experimental studies, we show that impact can produce solid<br \/>\r\nsolutions of Ag-Cu nanoparticles of eutectic composition. Our results show that phase<br \/>\r\ndiagrams of low dimensional materials under non-equilibrium conditions remain unexplored<br \/>\r\nand could lead to new alloy microstructures drastically different from their bulk counterparts.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('438','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_438\" style=\"display:none;\"><div class=\"tp_abstract_entry\">In two-component metallic systems, thermodynamic immiscibility leads to phase separation<br \/>\r\nsuch as in two-phase eutectic compositional alloys. The limit of the immiscibility of<br \/>\r\ncomponent elements under non-equilibrium conditions have been explored, but achieving<br \/>\r\ncomplete miscibility and formation of single phase microstructures in eutectic alloys would<br \/>\r\nbe unprecedented. Here we report that during low-temperature ball milling that provides high<br \/>\r\nenergy impact, complete mixing of phases can occur in immiscible Ag-Cu eutectic alloys.<br \/>\r\nFrom combined theoretical and experimental studies, we show that impact can produce solid<br \/>\r\nsolutions of Ag-Cu nanoparticles of eutectic composition. Our results show that phase<br \/>\r\ndiagrams of low dimensional materials under non-equilibrium conditions remain unexplored<br \/>\r\nand could lead to new alloy microstructures drastically different from their bulk counterparts.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('438','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_438\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta\" title=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1088\/1361-6463\/ab36d1\" title=\"Follow DOI:10.1088\/1361-6463\/ab36d1\" target=\"_blank\">doi:10.1088\/1361-6463\/ab36d1<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('438','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">2.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">de Sousa, Jose Moreira;  Autreto, Pedro da Silva;  Galvao, Douglas Soares<\/p><p class=\"tp_pub_title\">Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_437\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('437','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_437\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{deSousa2019d,<br \/>\r\ntitle = {Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review)},<br \/>\r\nauthor = {de Sousa, Jose Moreira and Autreto, Pedro da Silva and Galvao, Douglas Soares},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-07-15},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('437','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">3.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">JM; Sousa, Bizao<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('433','tp_links')\" style=\"cursor:pointer;\">Elastic Properties of Graphyne-based Nanotubes<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2019<\/span><span class=\"tp_pub_additional_note\">, (ArXiv preprint.)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_433\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('433','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_433\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('433','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_433\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('433','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_433\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{deSousa2019b,<br \/>\r\ntitle = {Elastic Properties of Graphyne-based Nanotubes},<br \/>\r\nauthor = {de Sousa, JM; , Bizao, RA; Sousa Filho, VP; Aguiar, AL; Coluci, VR; Pugno, NM; Girao, EC; Souza Filho, AG; Galvao, DS},<br \/>\r\nurl = {https:\/\/arxiv.org\/pdf\/1905.02104.pdf},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-04-07},<br \/>\r\nabstract = {Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets,<br \/>\r\nin the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes<br \/>\r\nare 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to<br \/>\r\nconventional CNTs, GNTs can present different chiralities and electronic properties. Because<br \/>\r\nof the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their<br \/>\r\nmechanical properties. In this work, we studied the mechanical response of GNTs under<br \/>\r\ntensile stress using fully atomistic molecular dynamics simulations and density functional<br \/>\r\ntheory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs<br \/>\r\nat larger strain values in comparison to corresponding CNTs, but paradoxically with smaller<br \/>\r\nultimate strength and Young\u2019s modulus values. This is a consequence of the combined<br \/>\r\neffects of the existence of triple bonds and increased porosity\/flexibility due to the presence<br \/>\r\nof acetylenic groups.},<br \/>\r\nnote = {ArXiv preprint.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('433','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_433\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets,<br \/>\r\nin the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes<br \/>\r\nare 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to<br \/>\r\nconventional CNTs, GNTs can present different chiralities and electronic properties. Because<br \/>\r\nof the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their<br \/>\r\nmechanical properties. In this work, we studied the mechanical response of GNTs under<br \/>\r\ntensile stress using fully atomistic molecular dynamics simulations and density functional<br \/>\r\ntheory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs<br \/>\r\nat larger strain values in comparison to corresponding CNTs, but paradoxically with smaller<br \/>\r\nultimate strength and Young\u2019s modulus values. This is a consequence of the combined<br \/>\r\neffects of the existence of triple bonds and increased porosity\/flexibility due to the presence<br \/>\r\nof acetylenic groups.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('433','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_433\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-file-pdf\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/pdf\/1905.02104.pdf\" title=\"https:\/\/arxiv.org\/pdf\/1905.02104.pdf\" target=\"_blank\">https:\/\/arxiv.org\/pdf\/1905.02104.pdf<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('433','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">4.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Fonseca, AF;  Dantas, SO;  Galvao, DS;  Zhang, D;  Sinnott, SB<\/p><p class=\"tp_pub_title\">The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_439\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('439','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_439\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Fonseca2019d,<br \/>\r\ntitle = {The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review)},<br \/>\r\nauthor = {Fonseca, AF and Dantas, SO and Galvao, DS and Zhang, D and Sinnott, SB},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-04-03},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('439','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">5.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">JM; Sousa, Bizao<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('434','tp_links')\" style=\"cursor:pointer;\">Elastic Properties of Graphyne-Based Nanotubes<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Computational Materials Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 170, <\/span><span class=\"tp_pub_additional_pages\">pp. 109153, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_434\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('434','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_434\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('434','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_434\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('434','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_434\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{deSousa2019c,<br \/>\r\ntitle = {Elastic Properties of Graphyne-Based Nanotubes},<br \/>\r\nauthor = {de Sousa, JM; , Bizao, RA; Sousa Filho, VP; Aguiar, AL; Coluci, VR; Pugno, NM; Girao, EC; Souza Filho, AG; Galvao, DS},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauthor#s0040},<br \/>\r\ndoi = {10.1016\/j.commatsci.2019.109153},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-04-03},<br \/>\r\njournal = {Computational Materials Science},<br \/>\r\nvolume = {170},<br \/>\r\npages = {109153},<br \/>\r\nabstract = {Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets, in the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes are 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to conventional CNTs, GNTs can present different chiralities and electronic properties. Because of the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their mechanical properties. In this work, we studied the mechanical response of GNTs under tensile stress using fully atomistic molecular dynamics simulations and density functional theory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs at larger strain values in comparison to corresponding CNTs, but paradoxically with smaller ultimate strength and Young\u2019s modulus values. This is a consequence of the combined effects of the existence of triple bonds and increased porosity\/flexibility due to the presence of acetylenic groups.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('434','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_434\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets, in the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes are 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to conventional CNTs, GNTs can present different chiralities and electronic properties. Because of the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their mechanical properties. In this work, we studied the mechanical response of GNTs under tensile stress using fully atomistic molecular dynamics simulations and density functional theory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs at larger strain values in comparison to corresponding CNTs, but paradoxically with smaller ultimate strength and Young\u2019s modulus values. This is a consequence of the combined effects of the existence of triple bonds and increased porosity\/flexibility due to the presence of acetylenic groups.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('434','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_434\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauthor#s0040\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauth[...]\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauth[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.commatsci.2019.109153\" title=\"Follow DOI:10.1016\/j.commatsci.2019.109153\" target=\"_blank\">doi:10.1016\/j.commatsci.2019.109153<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('434','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">6.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Arpan; Gumaste Rout, Anurag; Pandey<\/p><p class=\"tp_pub_title\">Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_432\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('432','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_432\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Rout2019,<br \/>\r\ntitle = {Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review)},<br \/>\r\nauthor = {Rout, Arpan; Gumaste, Anurag; Pandey, Praful; Oliveira, Eliezer; Demiss,<br \/>\r\nSolomon; P., Mahesh; Bhatt, Chintan; Raphael, Kiran; Ayyagari, Ravi; Autreto, Pedro;<br \/>\r\nPalit, Mithun; Femi, Olu Emmanuel; Galvao, Douglas; Arora, Amit; Tiwary, Chandra},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-03-30},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('432','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">7.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">AF; Dantas Fonseca, SO; Galvao<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('435','tp_links')\" style=\"cursor:pointer;\">The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2019<\/span><span class=\"tp_pub_additional_note\">, (ArXiv preprint)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_435\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('435','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_435\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('435','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_435\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('435','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_435\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Fonseca2019b,<br \/>\r\ntitle = {The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study},<br \/>\r\nauthor = {Fonseca, AF; Dantas, SO; Galvao, DS; Zhang, D; Sinnott SB},<br \/>\r\nurl = {https:\/\/arxiv.org\/pdf\/1904.09871.pdf},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-03-22},<br \/>\r\nabstract = {Two experimental studies reported the spontaneous formation of amorphous and crystalline<br \/>\r\nstructures of C60 intercalated between graphene and a substrate. They observed interesting<br \/>\r\nphenomena ranging from reaction between C60 molecules under graphene to graphene<br \/>\r\nsagging between the molecules and control of strain in graphene. Motivated by these works,<br \/>\r\nwe performed fully atomistic reactive molecular dynamics simulations to study the formation<br \/>\r\nand thermal stability of graphene wrinkles as well as graphene attachment to and detachment<br \/>\r\nfrom the substrate when graphene is laid over a previously distributed array of C60 molecules<br \/>\r\non a copper substrate at different values of temperature. As graphene compresses the C60<br \/>\r\nmolecules against the substrate, and graphene attachment to the substrate between C60s<br \/>\r\n(\u201cC60S\u201d stands for plural of C60) depends on the height of graphene wrinkles, configurations<br \/>\r\nwith both frozen and non-frozen C60s structures were investigated in order to verify the<br \/>\r\nexperimental result of stable sagged graphene when the distance between C60s is about 4 nm<br \/>\r\nand height of graphene wrinkles is about 0.8 nm. Below the distance of 4 nm between C60s,<br \/>\r\ngraphene becomes locally suspended and less strained. We show that this happens when C60s<br \/>\r\nare allowed to deform under the compressive action of graphene. If we keep the C60s frozen,<br \/>\r\nspontaneous \u201cblanketing\u201d of graphene happens only when the distance between them are<br \/>\r\nequal or above 7 nm. Both above results for the existence of stable sagged graphene for C60<br \/>\r\ndistances of 4 or 7 nm are shown to agree with a mechanical model relating the rigidity of<br \/>\r\ngraphene to the energy of graphene-substrate adhesion. Although the studies of intercalation<br \/>\r\nof molecules on interfaces formed by graphene-substrate are motivated by finding out ways to<br \/>\r\ncontrol wrinkling and strain in graphene, our work reveals the shape and structure of<br \/>\r\nintercalated molecules and the role of stability and wrinkling on final structure of graphene.<br \/>\r\nIn particular, this study might help the development of 2D confined nanoreactors that are<br \/>\r\nconsidered in literature to be the next advanced step on chemical reactions.},<br \/>\r\nnote = {ArXiv preprint},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('435','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_435\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Two experimental studies reported the spontaneous formation of amorphous and crystalline<br \/>\r\nstructures of C60 intercalated between graphene and a substrate. They observed interesting<br \/>\r\nphenomena ranging from reaction between C60 molecules under graphene to graphene<br \/>\r\nsagging between the molecules and control of strain in graphene. Motivated by these works,<br \/>\r\nwe performed fully atomistic reactive molecular dynamics simulations to study the formation<br \/>\r\nand thermal stability of graphene wrinkles as well as graphene attachment to and detachment<br \/>\r\nfrom the substrate when graphene is laid over a previously distributed array of C60 molecules<br \/>\r\non a copper substrate at different values of temperature. As graphene compresses the C60<br \/>\r\nmolecules against the substrate, and graphene attachment to the substrate between C60s<br \/>\r\n(\u201cC60S\u201d stands for plural of C60) depends on the height of graphene wrinkles, configurations<br \/>\r\nwith both frozen and non-frozen C60s structures were investigated in order to verify the<br \/>\r\nexperimental result of stable sagged graphene when the distance between C60s is about 4 nm<br \/>\r\nand height of graphene wrinkles is about 0.8 nm. Below the distance of 4 nm between C60s,<br \/>\r\ngraphene becomes locally suspended and less strained. We show that this happens when C60s<br \/>\r\nare allowed to deform under the compressive action of graphene. If we keep the C60s frozen,<br \/>\r\nspontaneous \u201cblanketing\u201d of graphene happens only when the distance between them are<br \/>\r\nequal or above 7 nm. Both above results for the existence of stable sagged graphene for C60<br \/>\r\ndistances of 4 or 7 nm are shown to agree with a mechanical model relating the rigidity of<br \/>\r\ngraphene to the energy of graphene-substrate adhesion. Although the studies of intercalation<br \/>\r\nof molecules on interfaces formed by graphene-substrate are motivated by finding out ways to<br \/>\r\ncontrol wrinkling and strain in graphene, our work reveals the shape and structure of<br \/>\r\nintercalated molecules and the role of stability and wrinkling on final structure of graphene.<br \/>\r\nIn particular, this study might help the development of 2D confined nanoreactors that are<br \/>\r\nconsidered in literature to be the next advanced step on chemical reactions.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('435','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_435\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-file-pdf\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/pdf\/1904.09871.pdf\" title=\"https:\/\/arxiv.org\/pdf\/1904.09871.pdf\" target=\"_blank\">https:\/\/arxiv.org\/pdf\/1904.09871.pdf<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('435','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">8.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">AF; Dantas Fonseca, SO; Galvao<\/p><p class=\"tp_pub_title\">The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_436\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('436','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_436\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Fonseca2019c,<br \/>\r\ntitle = {The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review)},<br \/>\r\nauthor = {Fonseca, AF; Dantas, SO; Galvao, DS; Zhang, D; Sinnott SB},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-03-15},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('436','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">9.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Routa, Arpan;  Pandeyb, Praful;  Oliveira, Eliezer Fernando; da Silva Autreto, Pedro Alves;  Gumastea, Anurag;  Singha, Amit;  Galvao, Douglas Soares;  Aroraa, Amit;  Tiwary, Chandra Sekhar<\/p><p class=\"tp_pub_title\">Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Polymer, <\/span><span class=\"tp_pub_additional_volume\">vol. 169, <\/span><span class=\"tp_pub_additional_pages\">pp. 148-153, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_430\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('430','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_430\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('430','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_430\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Routa2019,<br \/>\r\ntitle = {Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction},<br \/>\r\nauthor = {Arpan Routa and Praful Pandeyb and Eliezer Fernando Oliveira and Pedro Alves da Silva Autreto and Anurag Gumastea and Amit Singha and Douglas Soares Galvao and Amit Aroraa and Chandra Sekhar Tiwary},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-23},<br \/>\r\njournal = {Polymer},<br \/>\r\nvolume = {169},<br \/>\r\npages = {148-153},<br \/>\r\nabstract = {Joining different parts is one of a crucial component of designing\/engineering of materials. The current energy, low efficiency weight automotive and aerospace components commonly consist of different class of materials, such as metal, polymer, and ceramics, etc. Joining these components remains a challenge. Here, we demonstrate joining of metal (aluminum) and polymer (PP) using mechanical friction. The detailed characterisation demonstrates that atomically locked interfaces are formed in such joining without the presence of any chemical bond at the interfaces. The waterproof and strong interface is formed in such process. Fully atomistic molecular dynamics simulations were also carried out to provide further insights on these mechanisms.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('430','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_430\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Joining different parts is one of a crucial component of designing\/engineering of materials. The current energy, low efficiency weight automotive and aerospace components commonly consist of different class of materials, such as metal, polymer, and ceramics, etc. Joining these components remains a challenge. Here, we demonstrate joining of metal (aluminum) and polymer (PP) using mechanical friction. The detailed characterisation demonstrates that atomically locked interfaces are formed in such joining without the presence of any chemical bond at the interfaces. The waterproof and strong interface is formed in such process. Fully atomistic molecular dynamics simulations were also carried out to provide further insights on these mechanisms.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('430','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">10.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Eliezer F; Autreto Oliveira, Pedro AS; Woellner<\/p><p class=\"tp_pub_title\">On the mechanical properties of protomene: A theoretical investigation <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Computational Materials Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 161, <\/span><span class=\"tp_pub_additional_pages\">pp. 190-198, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_429\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('429','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_429\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('429','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_429\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Oliveira2019c,<br \/>\r\ntitle = {On the mechanical properties of protomene: A theoretical investigation},<br \/>\r\nauthor = {Oliveira, Eliezer F; Autreto, Pedro AS; Woellner, Cristiano F; Galvao, Douglas S},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-07},<br \/>\r\njournal = {Computational Materials Science},<br \/>\r\nvolume = {161},<br \/>\r\npages = {190-198},<br \/>\r\nabstract = {We report a detailed study through fully atomistic molecular dynamics simulations and DFT calculations on the mechanical properties of protomene. Protomene is a new carbon allotrope composed of a mixture of sp2 and sp3 hybridized states. Our results indicate that protomene presents an anisotropic behavior about tensile deformations. At room temperature, protomene presents an ultimate strength of ~100 GPa and Young's modulus of ~600 GPa, lower than the same for other carbon allotropes. Despite that, protomente presents the highest ultimate strain along the z-direction (~ 24.7%). Our results also show that stretching the protomene along the z-direction or heating it can induce a semiconductor-metallic phase transition, due to a high amount of sp3 bonds that are converted to sp2  ones.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('429','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_429\" style=\"display:none;\"><div class=\"tp_abstract_entry\">We report a detailed study through fully atomistic molecular dynamics simulations and DFT calculations on the mechanical properties of protomene. Protomene is a new carbon allotrope composed of a mixture of sp2 and sp3 hybridized states. Our results indicate that protomene presents an anisotropic behavior about tensile deformations. At room temperature, protomene presents an ultimate strength of ~100 GPa and Young's modulus of ~600 GPa, lower than the same for other carbon allotropes. Despite that, protomente presents the highest ultimate strain along the z-direction (~ 24.7%). Our results also show that stretching the protomene along the z-direction or heating it can induce a semiconductor-metallic phase transition, due to a high amount of sp3 bonds that are converted to sp2  ones.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('429','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">11.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Jaques, Ygor M.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\">Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Molecular Liquids, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_416\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('416','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_416\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('416','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_416\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Jaques2019b,<br \/>\r\ntitle = {Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted)},<br \/>\r\nauthor = {Ygor M. Jaques and Douglas S. Galvao},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-05},<br \/>\r\njournal = {Journal of Molecular Liquids},<br \/>\r\nabstract = {The determination of the wettability of 2D materials is an area of intensive research, as it is decisive on the applications of these systems in nanofluidics. One important part of the wetting characterization is how the spreading of droplets impacting on the surfaces occurs. However, few works address this problem for layered materials. Here, we report a fully atomistic molecular dynamics study on the dynamics of impact of water nanodroplets (100  \u030aA of diameter) at high velocities (from 1 up to 15  \u030aA\/ps) against graphene targets. Our results show that tuning graphene wettability (through parameter changes) significantly affects the structural and dynamical aspects of the nanodroplets. We identified three ranges of velocities with distinct characteristics, from simple deposition of the droplet to spreading with rebound, and finally droplet frag- mentation. We also identify that in an intermediary velocity of 7  \u030aA\/ps, the pattern of spreading critically changes, due to formation of voids on droplet structure. These voids affect in a detrimental way the droplet spreading on the less hydrophilic surface, as it takes more time to the droplet recover from the spreading and to return to a semi-spherical configuration. When the velocity is increased to values larger than 11  \u030aA\/ps, the droplet fragments, which reveals the maximum possible spreading.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('416','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_416\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The determination of the wettability of 2D materials is an area of intensive research, as it is decisive on the applications of these systems in nanofluidics. One important part of the wetting characterization is how the spreading of droplets impacting on the surfaces occurs. However, few works address this problem for layered materials. Here, we report a fully atomistic molecular dynamics study on the dynamics of impact of water nanodroplets (100  \u030aA of diameter) at high velocities (from 1 up to 15  \u030aA\/ps) against graphene targets. Our results show that tuning graphene wettability (through parameter changes) significantly affects the structural and dynamical aspects of the nanodroplets. We identified three ranges of velocities with distinct characteristics, from simple deposition of the droplet to spreading with rebound, and finally droplet frag- mentation. We also identify that in an intermediary velocity of 7  \u030aA\/ps, the pattern of spreading critically changes, due to formation of voids on droplet structure. These voids affect in a detrimental way the droplet spreading on the less hydrophilic surface, as it takes more time to the droplet recover from the spreading and to return to a semi-spherical configuration. When the velocity is increased to values larger than 11  \u030aA\/ps, the droplet fragments, which reveals the maximum possible spreading.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('416','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">12.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Sanjit; Ozden Bhowmick, Sehmus; Biz\u00e3o<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('424','tp_links')\" style=\"cursor:pointer;\">High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Carbon, <\/span><span class=\"tp_pub_additional_volume\">vol. 142, <\/span><span class=\"tp_pub_additional_pages\">pp. 291-299, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_424\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('424','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_424\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('424','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_424\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('424','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_424\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Bhowmick2019,<br \/>\r\ntitle = {High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures},<br \/>\r\nauthor = {Bhowmick, Sanjit; Ozden, Sehmus; Biz\u00e3o, Rafael A; Machado, Leonardo Dantas; Asif, SA Syed; Pugno, Nicola M; Galvao, Douglas S; Tiwary, Chandra Sekhar; Ajayan, PM},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911},<br \/>\r\ndoi = {10.1016\/j.carbon.2018.09.075},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-01},<br \/>\r\njournal = {Carbon},<br \/>\r\nvolume = {142},<br \/>\r\npages = {291-299},<br \/>\r\nabstract = {Carbon nanotubes (CNTs) are one of the most appealing materials in recent history for both research and commercial interest because of their outstanding physical, chemical, and electrical properties. This is particularly true for 3D arrangements of CNTs which enable their use in larger scale devices and structures. In this paper, the effect of temperature on the quasistatic and dynamic deformation behavior of 3D CNT structures is presented for the first time. An in situ high-temperature nanomechanical instrument was used inside an SEM at high vacuum to investigate mechanical properties of covalently interconnected CNT porous structures in a wide range of temperature. An irreversible bucking at the base of pillar samples was found as a major mode of deformation at room and elevated temperatures. It has been observed that elastic modulus and critical load to first buckle formation decrease progressively with increasing temperature from 25\u202f\u00b0C to 750\u202f\u00b0C. To understand fatigue resistance, pillars made from this unique structure were compressed to 100 cycles at room temperature and 750\u202f\u00b0C. While the structure showed remarkable resistance to fatigue at room temperature, high temperature significantly lowers fatigue resistance. Molecular dynamics (MD) simulation of compression highlights the critical role played by covalent interconnections which prevent localized bending and improve mechanical properties.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('424','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_424\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Carbon nanotubes (CNTs) are one of the most appealing materials in recent history for both research and commercial interest because of their outstanding physical, chemical, and electrical properties. This is particularly true for 3D arrangements of CNTs which enable their use in larger scale devices and structures. In this paper, the effect of temperature on the quasistatic and dynamic deformation behavior of 3D CNT structures is presented for the first time. An in situ high-temperature nanomechanical instrument was used inside an SEM at high vacuum to investigate mechanical properties of covalently interconnected CNT porous structures in a wide range of temperature. An irreversible bucking at the base of pillar samples was found as a major mode of deformation at room and elevated temperatures. It has been observed that elastic modulus and critical load to first buckle formation decrease progressively with increasing temperature from 25\u202f\u00b0C to 750\u202f\u00b0C. To understand fatigue resistance, pillars made from this unique structure were compressed to 100 cycles at room temperature and 750\u202f\u00b0C. While the structure showed remarkable resistance to fatigue at room temperature, high temperature significantly lowers fatigue resistance. Molecular dynamics (MD) simulation of compression highlights the critical role played by covalent interconnections which prevent localized bending and improve mechanical properties.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('424','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_424\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.09.075\" title=\"Follow DOI:10.1016\/j.carbon.2018.09.075\" target=\"_blank\">doi:10.1016\/j.carbon.2018.09.075<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('424','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">13.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Solis, Daniel;  Damasceno Borges, Daiane;  Woellner, Cristiano;  Galvao, Douglas<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('411','tp_links')\" style=\"cursor:pointer;\">Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">ACS Applied Materials and Interfaces, <\/span><span class=\"tp_pub_additional_volume\">vol. 11, <\/span><span class=\"tp_pub_additional_pages\">pp. 2670\u22122676, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_411\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('411','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_411\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('411','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_411\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('411','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_411\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Solis2019,<br \/>\r\ntitle = {Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)},<br \/>\r\nauthor = {Solis, Daniel and Damasceno Borges, Daiane and Woellner, Cristiano and Galvao,<br \/>\r\nDouglas},<br \/>\r\nurl = {https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481},<br \/>\r\ndoi = {10.1021\/acsami.8b03481},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-23},<br \/>\r\njournal = {ACS Applied Materials and Interfaces},<br \/>\r\nvolume = {11},<br \/>\r\npages = {2670\u22122676},<br \/>\r\nabstract = {Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes, where acetylenic groups connect benzenoid-like hexagonal rings, with the coexistence of sp and sp2 hybridized carbon atoms. The main differences between graphynes and graphdiynes are the number of acetylenic groups (one and two for graphynes and graphdiynes, respectively). Similarly to graphene nanoscrolls, graphyne and graphdiynes nanoscrolls are nanosized membranes rolled into papyrus-like structures. In this work we studied through molecular dynamics simulations, using reactive potentials, the structural and thermal (up to 1000 K) stability of \u03b1,\u03b2,\u03b3-graphyne and \u03b1,\u03b2,\u03b3-graphdiyne scrolls. Our results demonstrate that stable nanoscrolls can be created for all the structures studied here, although they are less stable than corresponding graphene scrolls. This can be elucidated as a result of the higher graphyne\/graphdiyne structural porosity in relation to graphene, and as a consequence, the \u03c0\u2013\u03c0 stacking interactions decrease.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('411','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_411\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes, where acetylenic groups connect benzenoid-like hexagonal rings, with the coexistence of sp and sp2 hybridized carbon atoms. The main differences between graphynes and graphdiynes are the number of acetylenic groups (one and two for graphynes and graphdiynes, respectively). Similarly to graphene nanoscrolls, graphyne and graphdiynes nanoscrolls are nanosized membranes rolled into papyrus-like structures. In this work we studied through molecular dynamics simulations, using reactive potentials, the structural and thermal (up to 1000 K) stability of \u03b1,\u03b2,\u03b3-graphyne and \u03b1,\u03b2,\u03b3-graphdiyne scrolls. Our results demonstrate that stable nanoscrolls can be created for all the structures studied here, although they are less stable than corresponding graphene scrolls. This can be elucidated as a result of the higher graphyne\/graphdiyne structural porosity in relation to graphene, and as a consequence, the \u03c0\u2013\u03c0 stacking interactions decrease.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('411','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_411\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481\" title=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acsami.8b03481\" title=\"Follow DOI:10.1021\/acsami.8b03481\" target=\"_blank\">doi:10.1021\/acsami.8b03481<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('411','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">14.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Eliezer F; Autreto Oliveira, Pedro AS; Woellner<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('428','tp_links')\" style=\"cursor:pointer;\">Mechanical Properties of Protomene: A Molecular Dynamics Investigation<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_428\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('428','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_428\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('428','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_428\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('428','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_428\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Oliveira2019,<br \/>\r\ntitle = {Mechanical Properties of Protomene: A Molecular Dynamics Investigation},<br \/>\r\nauthor = {Oliveira, Eliezer F; Autreto, Pedro AS; Woellner, Cristiano F; Galvao, Douglas S},<br \/>\r\nurl = {www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-protomene-a-molecular-dynamics-investigation\/CBAC89BDB5942E3353A5C00BD5D0D9CA},<br \/>\r\ndoi = {10.1557\/adv.2018.670},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nabstract = {Recently, a new class of carbon allotrope called protomene was proposed. This new structure is composed of sp2 and sp3 carbon-bonds. Topologically, protomene can be considered as an sp3 carbon structure (~80% of this bond type) doped by sp2 carbons. First-principles simulations have shown that protomene presents an electronic bandgap of ~3.4 eV. However, up to now, its mechanical properties have not been investigated. In this work, we have investigated protomene mechanical behavior under tensile strain through fully atomistic reactive molecular dynamics simulations using the ReaxFF force field, as available in the LAMMPS code. At room temperature, our results show that the protomene is very stable and the obtained ultimate strength and ultimate stress indicates an anisotropic behavior. The highest ultimate strength was obtained for the x-direction, with a value of ~110 GPa. As for the ultimate strain, the highest one was for the z-direction (~25% of strain) before protomene mechanical fracture.<br \/>\r\n},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('428','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_428\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Recently, a new class of carbon allotrope called protomene was proposed. This new structure is composed of sp2 and sp3 carbon-bonds. Topologically, protomene can be considered as an sp3 carbon structure (~80% of this bond type) doped by sp2 carbons. First-principles simulations have shown that protomene presents an electronic bandgap of ~3.4 eV. However, up to now, its mechanical properties have not been investigated. In this work, we have investigated protomene mechanical behavior under tensile strain through fully atomistic reactive molecular dynamics simulations using the ReaxFF force field, as available in the LAMMPS code. At room temperature, our results show that the protomene is very stable and the obtained ultimate strength and ultimate stress indicates an anisotropic behavior. The highest ultimate strength was obtained for the x-direction, with a value of ~110 GPa. As for the ultimate strain, the highest one was for the z-direction (~25% of strain) before protomene mechanical fracture.<br \/>\r\n<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('428','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_428\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-protomene-a-molecular-dynamics-investigation\/CBAC89BDB5942E3353A5C00BD5D0D9CA\" title=\"www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-pr[...]\" target=\"_blank\">www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-pr[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1557\/adv.2018.670\" title=\"Follow DOI:10.1557\/adv.2018.670\" target=\"_blank\">doi:10.1557\/adv.2018.670<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('428','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">15.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Sean P; Perim Collins, Eric; Daff<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('427','tp_links')\" style=\"cursor:pointer;\">Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">The Journal of Physical Chemistry C, <\/span><span class=\"tp_pub_additional_volume\">vol. 123, <\/span><span class=\"tp_pub_additional_pages\">pp. 1050-1058, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_427\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('427','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_427\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('427','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_427\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('427','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_427\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Collins2019,<br \/>\r\ntitle = {Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage},<br \/>\r\nauthor = {Collins, Sean P; Perim, Eric; Daff, Thomas D; Skaf, Munir S; Galvao, Douglas Soares; Woo, Tom K},<br \/>\r\nurl = {https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447},<br \/>\r\ndoi = {10.1021\/acs.jpcc.8b09447},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {The Journal of Physical Chemistry C},<br \/>\r\nvolume = {123},<br \/>\r\npages = {1050-1058},<br \/>\r\nabstract = {Materials for vehicular methane storage have been extensively studied, although no suitable material has been found. In this work, we use molecular simulation to investigate three types of carbon-based materials, Schwarzites, layered graphenes, and carbon nanoscrolls, for use in vehicular methane storage under adsorption conditions of 65 bar and 298 K and desorption conditions of 5.8 bar and 358 K. Ten different Schwarzites were tested and found to have high adsorption with maximums at 273 VSTP\/V, but middling deliverable capacities of no more than 131 VSTP\/V. Layered graphene and graphene nanoscrolls were found to have extremely high CH4 adsorption capacities of 355 and 339 VSTP\/V, respectively, when the interlayer distance was optimized to 11 \u00c5. The deliverable capacities of perfectly layered graphene and graphene nanoscrolls were also found to be exceptional with values of 266 and 252 VSTP\/V, respectively, with optimized interlayer distances. These values make idealized graphene and nanoscrolls the record holders for adsorption and deliverable capacities under vehicular methane storage conditions.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('427','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_427\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Materials for vehicular methane storage have been extensively studied, although no suitable material has been found. In this work, we use molecular simulation to investigate three types of carbon-based materials, Schwarzites, layered graphenes, and carbon nanoscrolls, for use in vehicular methane storage under adsorption conditions of 65 bar and 298 K and desorption conditions of 5.8 bar and 358 K. Ten different Schwarzites were tested and found to have high adsorption with maximums at 273 VSTP\/V, but middling deliverable capacities of no more than 131 VSTP\/V. Layered graphene and graphene nanoscrolls were found to have extremely high CH4 adsorption capacities of 355 and 339 VSTP\/V, respectively, when the interlayer distance was optimized to 11 \u00c5. The deliverable capacities of perfectly layered graphene and graphene nanoscrolls were also found to be exceptional with values of 266 and 252 VSTP\/V, respectively, with optimized interlayer distances. These values make idealized graphene and nanoscrolls the record holders for adsorption and deliverable capacities under vehicular methane storage conditions.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('427','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_427\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447\" title=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpcc.8b09447\" title=\"Follow DOI:10.1021\/acs.jpcc.8b09447\" target=\"_blank\">doi:10.1021\/acs.jpcc.8b09447<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('427','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">16.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Fonseca, Alexandre F.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('423','tp_links')\" style=\"cursor:pointer;\">Self-tearing and self-peeling of folded graphene nanoribbons<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Carbon, <\/span><span class=\"tp_pub_additional_volume\">vol. 143, <\/span><span class=\"tp_pub_additional_pages\">pp. 230-239, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_423\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('423','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_423\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('423','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_423\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('423','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_423\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Fonseca2019,<br \/>\r\ntitle = {Self-tearing and self-peeling of folded graphene nanoribbons},<br \/>\r\nauthor = {Alexandre F. Fonseca and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431},<br \/>\r\ndoi = {10.1016\/j.carbon.2018.11.020},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {Carbon},<br \/>\r\nvolume = {143},<br \/>\r\npages = {230-239},<br \/>\r\nabstract = {A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene nanoribbons. As long as the size of the graphene flaps is above a threshold value, the \u201ctug of war\u201d between the forces of adhesion of graphene-graphene and graphene-substrate, flexural strain of folded region and carbon-carbon (C-C) covalent bonds favor the self-tearing and self-peeling off process. As the detailed information regarding the atomic scale mechanism involved in the process remains not fully understood, we carried out atomistic reactive molecular dynamics simulations to address some features of the process. We show that large thermal fluctuations can prevent the process by increasing the probability of chemical reactions between carbon dangling bonds of adjacent graphene layers. The effects of the strength of attraction between graphene and the substrate on the ribbon growth velocities at the early stages of the phenomenon were also investigated. Structures with initial armchair crack-edges were observed to form more uniform cuts than those having initial zigzag ones. Our results are of importance to help set up new experiments on this phenomenon, especially with samples with nanoscale sized cuts. },<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('423','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_423\" style=\"display:none;\"><div class=\"tp_abstract_entry\">A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene nanoribbons. As long as the size of the graphene flaps is above a threshold value, the \u201ctug of war\u201d between the forces of adhesion of graphene-graphene and graphene-substrate, flexural strain of folded region and carbon-carbon (C-C) covalent bonds favor the self-tearing and self-peeling off process. As the detailed information regarding the atomic scale mechanism involved in the process remains not fully understood, we carried out atomistic reactive molecular dynamics simulations to address some features of the process. We show that large thermal fluctuations can prevent the process by increasing the probability of chemical reactions between carbon dangling bonds of adjacent graphene layers. The effects of the strength of attraction between graphene and the substrate on the ribbon growth velocities at the early stages of the phenomenon were also investigated. Structures with initial armchair crack-edges were observed to form more uniform cuts than those having initial zigzag ones. Our results are of importance to help set up new experiments on this phenomenon, especially with samples with nanoscale sized cuts. <\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('423','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_423\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.11.020\" title=\"Follow DOI:10.1016\/j.carbon.2018.11.020\" target=\"_blank\">doi:10.1016\/j.carbon.2018.11.020<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('423','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">17.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Susarla, Sandhya;  Manimunda, Praveena;  Jaques, Ygor M.;  Hachtel, Jordan A.;  Idrobo, Juan C.;  Asif, S. A. Syed;  Galvao, Douglas S.;  Tiwary, Chandrasekhar;  Ajayan, Pulickel M.<\/p><p class=\"tp_pub_title\">Strain induced structural deformation study of two dimensional MoxW(1-x)S2 <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Advanced Materials Interfaces (accepted), <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_422\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('422','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_422\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('422','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_422\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Susarla2019,<br \/>\r\ntitle = {Strain induced structural deformation study of two dimensional MoxW(1-x)S2},<br \/>\r\nauthor = {Sandhya Susarla and Praveena Manimunda and Ygor M. Jaques and Jordan A. Hachtel and Juan C. Idrobo and S. A. Syed Asif and Douglas S. Galvao and Chandrasekhar Tiwary and Pulickel M. Ajayan},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {Advanced Materials Interfaces (accepted)},<br \/>\r\nabstract = {The possibility of tuning properties and its potential applications in the fields of optoelectronics and\/or flexible electronics, has increased the demand for 2D alloys in recent times. Understanding the mechanical performance of 2D materials under extreme conditions, such as strain, stress and fracture is essential for the reliable electronic devices based on these structures. In this study, combined molecular dynamics (MD) simulations and in situ Raman spectroscopic techniques were used to study the mechanical performance of a 2D alloy system, MoxW(1-x) S2. It was observed that W substitution in MoS2 causes solid-solution strengthening and increase in the Young\u2019s modulus values. Higher W content decreased failure strain for MoS2.  Based on spatially resolved Raman spectroscopy and MD simulations results, we propose a detailed model to explain failure mechanisms in MoxW(1-x)S2 alloys. },<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('422','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_422\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The possibility of tuning properties and its potential applications in the fields of optoelectronics and\/or flexible electronics, has increased the demand for 2D alloys in recent times. Understanding the mechanical performance of 2D materials under extreme conditions, such as strain, stress and fracture is essential for the reliable electronic devices based on these structures. In this study, combined molecular dynamics (MD) simulations and in situ Raman spectroscopic techniques were used to study the mechanical performance of a 2D alloy system, MoxW(1-x) S2. It was observed that W substitution in MoS2 causes solid-solution strengthening and increase in the Young\u2019s modulus values. Higher W content decreased failure strain for MoS2.  Based on spatially resolved Raman spectroscopy and MD simulations results, we propose a detailed model to explain failure mechanisms in MoxW(1-x)S2 alloys. <\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('422','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">18.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Ok-Kyung; Owuor Park, Peter; Morais Jaques<\/p><p class=\"tp_pub_title\">Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_400\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('400','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_400\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Park2019,<br \/>\r\ntitle = {Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review)},<br \/>\r\nauthor = {Park, Ok-Kyung; Owuor, Peter; Morais Jaques, Ygor; Lee, Joong Hee; Kim, Nam<br \/>\r\nHoon; Galvao, Douglas; Lou, Jun; Tiwary, Chandra; Ajayan, Pulickel},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('400','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">19.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">de Sousa, JM;  Aguiar, AL;  Girao, EC;  Fonseca, Alexandre F;  AG Filho, Souza;  Galvao, Douglas S<\/p><p class=\"tp_pub_title\">Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_386\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('386','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_386\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{deSousa2019,<br \/>\r\ntitle = {Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review)},<br \/>\r\nauthor = {de Sousa, JM and Aguiar, AL and Girao, EC and Fonseca, Alexandre F and AG Filho, Souza and Galvao, Douglas S},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('386','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">20.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Owuor, Peter Samora;  Inthong, Suchittra;  Sajadi, Seyed Mohammad;  Intawin, Pratthana;  Chipara, Alin C.;  Woellner, Cristiano F.;  Sayed, Farheen N.;  Tsang, Harvey H.;  Stender, Anthony;  Vajtai, Robert;  Pengpat, Kamonpan;  Eitssayeam, Sukum;  Galvao, Douglas S.;  Lou, Jun;  Tiwary, Chandra Sekhar;  Ajayan, Pulickel M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('371','tp_links')\" style=\"cursor:pointer;\">Elastic and \u2018transparent bone\u2019 as an electrochemical separator<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Materials Chemistry Today, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 132-138, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_371\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('371','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_371\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('371','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_371\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('371','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_371\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Owuor2019,<br \/>\r\ntitle = {Elastic and \u2018transparent bone\u2019 as an electrochemical separator},<br \/>\r\nauthor = {Peter Samora Owuor and Suchittra Inthong and Seyed Mohammad Sajadi and Pratthana Intawin and Alin C. Chipara and Cristiano F. Woellner and Farheen N. Sayed and Harvey H. Tsang and Anthony Stender and Robert Vajtai and Kamonpan Pengpat and Sukum Eitssayeam and Douglas S. Galvao and Jun Lou and Chandra Sekhar Tiwary and Pulickel M. Ajayan},<br \/>\r\nurl = {https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8636EFB32B8D1D71EEC9852E58D0729A622DAFDF86C3EE65DF2A33E77CE7534A5D66D3854C396F69D1A},<br \/>\r\ndoi = {10.1016\/j.mtchem.2018.12.009},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {Materials Chemistry Today},<br \/>\r\nvolume = {12},<br \/>\r\npages = {132-138},<br \/>\r\nabstract = {Organic matrix of bone mainly composed of collagen matrix serve as a crucial component for remarkable toughness and strength in bones. The porous collagen matrix can also serve as efficient template for various applications such as nanoparticles synthetic, catalysis or catalysis supports, electrochemical separator, filtration membrane and tissue engineering. However, fabricating collagen matrix from bones without degrading its morphological structure still remain a challenge. Here we present evidence of how ceramic crystals from a bone can be removed to fabricate a complete \u2018transparent bone\u2019 structure with improved porous and elasticity. We show that demineralization or selective etching using dilute acid (citric) can remove ceramics mineral nanoparticles without degrading the collagen matrix. The transparent bone collagen matrix is investigated as the separator in electrochemical supercapacitor with aqueous electrolyte where it shows better performance compared to conventional separators.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('371','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_371\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Organic matrix of bone mainly composed of collagen matrix serve as a crucial component for remarkable toughness and strength in bones. The porous collagen matrix can also serve as efficient template for various applications such as nanoparticles synthetic, catalysis or catalysis supports, electrochemical separator, filtration membrane and tissue engineering. However, fabricating collagen matrix from bones without degrading its morphological structure still remain a challenge. Here we present evidence of how ceramic crystals from a bone can be removed to fabricate a complete \u2018transparent bone\u2019 structure with improved porous and elasticity. We show that demineralization or selective etching using dilute acid (citric) can remove ceramics mineral nanoparticles without degrading the collagen matrix. The transparent bone collagen matrix is investigated as the separator in electrochemical supercapacitor with aqueous electrolyte where it shows better performance compared to conventional separators.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('371','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_371\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8636EFB32B8D1D71EEC9852E58D0729A622DAFDF86C3EE65DF2A33E77CE7534A5D66D3854C396F69D1A\" title=\"https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8[...]\" target=\"_blank\">https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.mtchem.2018.12.009\" title=\"Follow DOI:10.1016\/j.mtchem.2018.12.009\" target=\"_blank\">doi:10.1016\/j.mtchem.2018.12.009<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('371','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><\/div><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">386 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 20 <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=20&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><\/div>\n<div class=\"teachpress_pub_list\"><form name=\"tppublistform\" method=\"get\"><a name=\"tppubs\" id=\"tppubs\"><\/a><div class=\"teachpress_cloud\"><span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=153&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"6 Publications\" class=\"\">Allotropes<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=28&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"10 Publications\" class=\"\">Boron Nitride<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=2&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"31 Publications\" class=\"\">Carbon Nanotubes<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=196&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"7 Publications\" class=\"\">Chalcogenides<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=63&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"8 Publications\" class=\"\">CNT encapsulation<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=70&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"7 Publications\" class=\"\">Conducting Polymers<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"39 Publications\" class=\"\">DFT<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=117&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"9 Publications\" class=\"\">Elasticity<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=60&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"33 Publications\" class=\"\">Electronic Structure<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"34 Publications\" class=\"\">Fracture<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=30&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"6 Publications\" class=\"\">Graphane<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"49 Publications\" class=\"\">Graphene<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=20&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"15 Publications\" class=\"\">Graphynes<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=31&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"10 Publications\" class=\"\">Hydrogenation<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=132&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"9 Publications\" class=\"\">Linear Atomic Chains<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"48 Publications\" class=\"\">Mechanical Properties<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=34&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"27 Publications\" class=\"\">Metallic Nanowires<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"11 Publications\" class=\"\">Modeling<\/a><\/span> <span style=\"font-size:35px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"160 Publications\" class=\"\">Molecular Dynamics<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=72&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"6 Publications\" class=\"\">Monte Carlo<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=13&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"15 Publications\" class=\"\">Nanotubes<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=106&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"7 Publications\" class=\"\">Nanowires<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=61&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"6 Publications\" class=\"\">New Structures<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=206&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"7 Publications\" class=\"\">pentagraphene<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=4&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"24 Publications\" class=\"\">Scrolls<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=88&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"10 Publications\" class=\"\">Structure<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=82&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"7 Publications\" class=\"\">Super Carbons<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=45&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"22 Publications\" class=\"\">TEM<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=128&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"7 Publications\" class=\"\">Theory of Electronic Indices<\/a><\/span> <span style=\"font-size:11px;\"><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=181&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\" title=\"20 Publications\" class=\"\">top20<\/a><\/span> <\/div><div class=\"teachpress_filter\"><select class=\"default\" name=\"yr\" id=\"yr\" tabindex=\"2\" onchange=\"teachpress_jumpMenu('parent',this, 'https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?')\">\r\n                   <option value=\"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=#tppubs\">All years<\/option>\r\n                   <option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2019#tppubs\" >2019<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2018#tppubs\" >2018<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2017#tppubs\" >2017<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2016#tppubs\" >2016<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2015#tppubs\" >2015<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2014#tppubs\" >2014<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2013#tppubs\" >2013<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2012#tppubs\" >2012<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2011#tppubs\" >2011<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2010#tppubs\" >2010<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2009#tppubs\" >2009<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2008#tppubs\" >2008<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2007#tppubs\" >2007<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2006#tppubs\" >2006<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2005#tppubs\" >2005<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2004#tppubs\" >2004<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2003#tppubs\" >2003<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2002#tppubs\" >2002<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2001#tppubs\" >2001<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=2000#tppubs\" >2000<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1999#tppubs\" >1999<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1997#tppubs\" >1997<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1996#tppubs\" >1996<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1995#tppubs\" >1995<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1994#tppubs\" >1994<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1993#tppubs\" >1993<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1992#tppubs\" >1992<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1991#tppubs\" >1991<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1990#tppubs\" >1990<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1989#tppubs\" >1989<\/option><option value = \"tgid=&amp;type=&amp;auth=&amp;usr=&amp;yr=1988#tppubs\" >1988<\/option>\r\n                <\/select><select class=\"default\" name=\"type\" id=\"type\" tabindex=\"3\" onchange=\"teachpress_jumpMenu('parent',this, 'https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?')\">\r\n                   <option value=\"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=#tppubs\">All types<\/option>\r\n                   <option value = \"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=article#tppubs\" >Journal Articles<\/option><option value = \"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=inbook#tppubs\" >Book Chapters<\/option><option value = \"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=incollection#tppubs\" >Book Sections<\/option><option value = \"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=inproceedings#tppubs\" >Proceedings Articles<\/option><option value = \"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=online#tppubs\" >Online<\/option><option value = \"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=proceedings#tppubs\" >Proceedings<\/option><option value = \"tgid=&amp;yr=&amp;auth=&amp;usr=&amp;type=techreport#tppubs\" >Technical Reports<\/option>\r\n                <\/select><select class=\"default\" name=\"auth\" id=\"auth\" tabindex=\"5\" onchange=\"teachpress_jumpMenu('parent',this, 'https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?')\">\r\n                   <option value=\"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=#tppubs\">All authors<\/option>\r\n                   <option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=375#tppubs\" >Wesller G Schmidt Abraham G Cano-Marquez, Jenaina Ribeiro-Soares<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=488#tppubs\" > AG Filho, Souza<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=651#tppubs\" > Aguiar, A. L.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=683#tppubs\" > Aguiar, Acrisio L.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=486#tppubs\" > Aguiar, AL<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=73#tppubs\" >de Aguiar, MAM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=601#tppubs\" > Ahamad, Naseer<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=483#tppubs\" > Ajayan,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=520#tppubs\" > Ajayan, P M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=637#tppubs\" > Ajayan, PM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=270#tppubs\" > Ajayan, Pulickel M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=547#tppubs\" > Ajayan, P. M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=606#tppubs\" > Ajayan, P. M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=543#tppubs\" > Ajayan, Pulickel M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=371#tppubs\" > Ajayan, Pulickel M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=677#tppubs\" > Ajayan, Pulickel. M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=570#tppubs\" >van Aken, Peter<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=142#tppubs\" > Albuquerque, EL<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=750#tppubs\" > Alexandre F. Fonseca, Douglas S. Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=505#tppubs\" >Peter Samora Owuor Alin Cristian Chipara, Sanjit Bhowmick<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=497#tppubs\" > Alves, Ana Paula P<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=572#tppubs\" > Anantharaman, M R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=354#tppubs\" > Andrade, Nadia F.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=355#tppubs\" > Antonio Filho, G Souza<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=685#tppubs\" > Antonio G. Sousa Filho,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=700#tppubs\" > Antonio G. Souza Filho,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=757#tppubs\" > Aroraa, Amit<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=271#tppubs\" > Artacho, Emilio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=635#tppubs\" > Asif, SAS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=665#tppubs\" > Asif, S. A. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=747#tppubs\" > Asif, S. A. Syed<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=728#tppubs\" > Asif, S. A. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=674#tppubs\" > Asif, Syed A. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=588#tppubs\" > Asif, Syed<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=247#tppubs\" > Autreto, PA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=153#tppubs\" > Autreto, PAS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=188#tppubs\" > Autreto, Pedro<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=212#tppubs\" > Autreto, Pedro A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=769#tppubs\" > Autreto, Pedro A S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=239#tppubs\" > Autreto, Pedro Alves da Silva<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=27#tppubs\" > Autreto, Pedro AS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=766#tppubs\" > Autreto, Pedro da Silva<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=423#tppubs\" > Autreto, Pedro A. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=528#tppubs\" >da Silva Autreto, Pedro Alves<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=97#tppubs\" > Avanci, LH<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=165#tppubs\" > Avanci, Luis H<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=163#tppubs\" > Azevedo, David L<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=200#tppubs\" > Azevedo, DL<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=656#tppubs\" > Azevedo, David L.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=553#tppubs\" > BABARAO, Ravichandar<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=558#tppubs\" > Balan, Aravind Puthirath<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=123#tppubs\" > Barone, Paulo MVB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=307#tppubs\" > Barone, PMV<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=41#tppubs\" > Barone, PMVB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=316#tppubs\" > Barrera, Enrique V<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=538#tppubs\" > Barrera, Enrique<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=595#tppubs\" > Barrera, Enrique V.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=1#tppubs\" > Baughman, Ray H<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=81#tppubs\" > Baughman, RH<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=385#tppubs\" > Baughman, RH<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=197#tppubs\" > Besenbacher, F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=38#tppubs\" > Besenbacher, Flemming<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=21#tppubs\" > Bettini, J<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=117#tppubs\" > Bettini, Jeferson<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=56#tppubs\" > Bettini, Jefferson<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=634#tppubs\" > Bhowmick, S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=664#tppubs\" > Bhowmick, S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=592#tppubs\" > Bhowmick, Sanjit<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=749#tppubs\" >Sanjit; Ozden Bhowmick, Sehmus; Biz\u00e3o<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=119#tppubs\" > Bica de Moraes, Mario A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=72#tppubs\" > Bica de Moraes, M'ario A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=480#tppubs\" > Biradar, Santoshkumar<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=604#tppubs\" > Biradar, Santosh Kumar<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=711#tppubs\" > Biswas, Krishanu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=694#tppubs\" > Bitton, Ora<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=296#tppubs\" > Bizao, RA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=490#tppubs\" > Bizao, Rafael A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=657#tppubs\" > Bizao, Rafael A.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=471#tppubs\" >Yongji Gong Bo Li, Zhili Hu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=60#tppubs\" > Bolivar-Marinez, LE<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=205#tppubs\" > Bolivar-Martinez, LE<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=71#tppubs\" > Bol'ivar-Marinez, Luz Elena<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=491#tppubs\" > Borges, Daiane D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=495#tppubs\" > Borges, Daiane Damasceno<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=705#tppubs\" > Borges, Daiane D.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=550#tppubs\" > BORGES, Daiane DAMASCENO<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=297#tppubs\" > Botari, T<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=272#tppubs\" > Botari, Tiago<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=409#tppubs\" > Botari, Tiago<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=318#tppubs\" > Bouju, Xavier<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=48#tppubs\" > Braga, RS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=11#tppubs\" > Braga, Scheila F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=94#tppubs\" > Braga, Scheila Furtado<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=16#tppubs\" > Braga, SF<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=127#tppubs\" > Brasil, Maria JSP<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=295#tppubs\" > Brunetto, G<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=104#tppubs\" > Brunetto, Gustavo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=731#tppubs\" > Brunetto, G.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=686#tppubs\" > C. S. Tiwary,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=709#tppubs\" > C.S.Tiwary,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=91#tppubs\" > Caetano, Ewerton WS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=141#tppubs\" > Caetano, EWS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=362#tppubs\" >E. W. S.; Freire Caetano, V. N. ; dos Santos<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=269#tppubs\" > Cai, Lintao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=244#tppubs\" > CALDAS,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=380#tppubs\" > Caldas, Marilia Junqueira<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=74#tppubs\" > Caldas, Mar'ilia Junqueira<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=61#tppubs\" > Caldas, MJ<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=42#tppubs\" > Camilo Jr, A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=124#tppubs\" > Camilo Jr, Alexandre<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=112#tppubs\" > Campos, Paulo RA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=304#tppubs\" > Cantao, MP<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=67#tppubs\" > Cant ao, Mauricio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=166#tppubs\" > Cardoso, Lisandro P<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=98#tppubs\" > Cardoso, LP<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=146#tppubs\" > Cartoixa, X<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=70#tppubs\" > Castro, Sandra GC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=641#tppubs\" >Marco AE Maria Celina M Miyazaki, Daiane Damasceno Borges<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=128#tppubs\" > Cerdeira, Fernando<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=599#tppubs\" > Chakravarty, Dibyendu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=771#tppubs\" > Chattopadhyay, Kumanio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=532#tppubs\" > Chaudhary, Varun<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=225#tppubs\" > Chen, Yongsheng<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=54#tppubs\" > Chinellato, David D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=722#tppubs\" > Chipara, A. C.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=625#tppubs\" > Chipara, Alin C<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=579#tppubs\" > Chipara, Alin C.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=325#tppubs\" > Chipara, Alin Cristian<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=734#tppubs\" > Chipara, M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=444#tppubs\" > Cho, Juny<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=626#tppubs\" > Chopra, Nitin<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=567#tppubs\" > Chu, Ching-Wu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=305#tppubs\" > Cisneros, JI<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=484#tppubs\" >Rodrigo Prioli Clara M Almeida, Benjamin Fragneaud<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=438#tppubs\" > Collins, Sean P<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=751#tppubs\" >Sean P; Perim Collins, Eric; Daff<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=320#tppubs\" > Coluci, V<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=162#tppubs\" > Coluci, V R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=198#tppubs\" > Coluci, Vitor<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=12#tppubs\" > Coluci, Vitor R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=101#tppubs\" > Coluci, Vitor Rafael<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=15#tppubs\" > Coluci, VR<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=254#tppubs\" > Constantino, Carlos JL<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=568#tppubs\" > Costin, Gelu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=111#tppubs\" > Cotta, MA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=89#tppubs\" > Cotta, Monica A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=39#tppubs\" > Coura, Pablo Z<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=57#tppubs\" > Coura, Pablo Zimmerman<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=17#tppubs\" > Coura, PZ<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=186#tppubs\" > Coutinho, Samir S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=126#tppubs\" > Couto Jr, Odilon DD<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=379#tppubs\" >Leonardo D Machado Cristiano F Woellner, Pedro AS Autreto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=639#tppubs\" >Leonardo D Machado Cristiano F Woellner, Pedro AS Autreto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=361#tppubs\" >Leonardo D. Machado Cristiano F. Woellner, Pedro A. S. Autreto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=473#tppubs\" >Pedro Alves da Silva Autreto Cristiano Francisco Woellner, Douglas S Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=463#tppubs\" >Pedro Alves da Silva Autreto Cristiano Francisco Woellner, Douglas S. Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=100#tppubs\" > Cui, C<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=77#tppubs\" > Cui, Changxing<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=76#tppubs\" > Cyrillo, M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=102#tppubs\" > Cyrillo, Marcio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=437#tppubs\" > Daff, Thomas D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=638#tppubs\" >Cristiano F Woellner Daiane Damasceno Borges, Pedro AS Autreto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=701#tppubs\" > Damasceno Borges, Daiane<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=18#tppubs\" > Dantas, SO<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=31#tppubs\" > Dantas, Socrates O<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=249#tppubs\" > Dantas, S'ecrates O<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=214#tppubs\" > Dantas, S'ocrates de O<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=136#tppubs\" > Dantas, S'ocrates O<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=115#tppubs\" > Daraio, Chiara<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=217#tppubs\" > De Andrade, Monica Jung<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=173#tppubs\" > De Carvalho, MMG<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=169#tppubs\" > De Castro, MPP<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=65#tppubs\" > De Moraes, M'ario A Bica<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=161#tppubs\" > De Paoli, MA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=108#tppubs\" > Del Nero, J<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=243#tppubs\" > DEMELO, CP<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=562#tppubs\" > Deng, Liangzi<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=706#tppubs\" > Devi, M. Manolata<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=87#tppubs\" > Deziderio, Shirlei N<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=160#tppubs\" > Dezotti, MWC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=388#tppubs\" >Chandra Sekhar Tiwary Dibyendu Chakravarty, Leonardo Dantas Machado<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=468#tppubs\" >Chandra Sekhar Tiwary Dibyendu Chakravarty, Cristano F Woellner<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=707#tppubs\" > Dolai, N.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=509#tppubs\" > Dong, Jinming<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=451#tppubs\" > Dong, Pei<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=80#tppubs\" > Dos Santos, DA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=252#tppubs\" > Dos Santos, David S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=51#tppubs\" > Dos Santos, MC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=137#tppubs\" > Dos Santos, SG<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=242#tppubs\" > DOSSANTOS, DA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=737#tppubs\" > Dubey, M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=727#tppubs\" >van Duin, A. C. T.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=353#tppubs\" >van Duin, ACT<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=232#tppubs\" >van Duin, Adri CT<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=439#tppubs\" > Durekova, Hana<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=64#tppubs\" > Durrant, Steven F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=516#tppubs\" > Duy, LuongXuan<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=671#tppubs\" > Duy, Luong X.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=364#tppubs\" >L. D. Machado E. Perim, D. S. Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=584#tppubs\" > Eitssayeam, Sukum<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=741#tppubs\" >Pedro AS Autreto Eliezer F Oliveira, Cristiano F Woellner<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=363#tppubs\" > Eric Perim, Douglas S. Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=10#tppubs\" > Etemad, S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=45#tppubs\" > Etemad, Shahab<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=218#tppubs\" > Fang, Shaoli<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=253#tppubs\" > Ferreira, Mariselma<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=654#tppubs\" > Filho, A. G. Sousa<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=687#tppubs\" > Filho, A. G. Souza<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=177#tppubs\" > Flores, Marcelo Z<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=26#tppubs\" > Flores, Marcelo ZS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=154#tppubs\" > Flores, MZS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=653#tppubs\" > Fonseca, Alexandre F.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=59#tppubs\" >da Fonseca, Alexandre F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=159#tppubs\" >da Fonseca, Alexandre Fontes<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=321#tppubs\" > Fonseca, AD<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=282#tppubs\" > Fonseca, AF<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=114#tppubs\" > Fonseca, Alexandre F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=765#tppubs\" >AF; Dantas Fonseca, SO; Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=223#tppubs\" > Foroughi, Javad<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=171#tppubs\" > Frateschi, NC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=92#tppubs\" > Freire, Valder N<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=140#tppubs\" > Freire, VN<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=690#tppubs\" > Frenkel, Yiftach<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=125#tppubs\" > Gaffo, Luciana<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=666#tppubs\" > Galvao, D. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=733#tppubs\" > Galv\u00e3o, D. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=540#tppubs\" > Galvao, Douglas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=408#tppubs\" > Galvao, Douglas S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=412#tppubs\" > Galvao, Douglas S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=544#tppubs\" > Galvao, Douglas Soares<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=382#tppubs\" > Galvao, DS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=703#tppubs\" > Galvao, Douglas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=203#tppubs\" > Galvao, D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=646#tppubs\" > Galvao, D S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=189#tppubs\" > Galvao, Douglas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=7#tppubs\" > Galvao, Douglas S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=179#tppubs\" > Galvao, Douglas S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=58#tppubs\" > Galvao, Douglas Soares<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=5#tppubs\" > Galvao, DS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=529#tppubs\" > Galva\u0303o, Douglas Soares<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=240#tppubs\" > Galvo, DS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=63#tppubs\" > Galv ao, Douglas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=2#tppubs\" > Galv ao, Douglas S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=43#tppubs\" > Galv ao, DS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=266#tppubs\" > Gao, Duyang<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=263#tppubs\" > Gao, Guanhui<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=174#tppubs\" > Garcez, Karl M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=602#tppubs\" > Gautam, Amarendra<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=598#tppubs\" > Gautam, Chandkiram<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=454#tppubs\" > Ge, Liehui<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=652#tppubs\" > Girao, E. C.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=684#tppubs\" > Girao, Eduardo C.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=487#tppubs\" > Girao, EC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=75#tppubs\" > Giro, R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=13#tppubs\" > Giro, Ronaldo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=182#tppubs\" > Gomes de Sousa Filho, Antonio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=19#tppubs\" > Gonzalez, JC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=759#tppubs\" > Gordeev, Georgy<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=88#tppubs\" > Graeff, Carlos Frederico O<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=310#tppubs\" > Graeff, CFO<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=755#tppubs\" > Gumastea, Anurag<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=401#tppubs\" >Nadia F. Andradea Gustavo Brunettoa, Douglas S. Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=745#tppubs\" > Hachtel, Jordan A.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=257#tppubs\" > Hadad, A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=221#tppubs\" > Haines, Carter S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=28#tppubs\" > Hall, Lee J<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=506#tppubs\" > Han, Yang<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=554#tppubs\" > HEYMANS, Nicolas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=457#tppubs\" > Hong, Liang<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=510#tppubs\" > Hu, Ming<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=193#tppubs\" > Hummelink, F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=33#tppubs\" > Hummelink, Frauke<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=746#tppubs\" > Idrobo, Juan C.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=578#tppubs\" > Intawin, Pratthana<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=577#tppubs\" > Inthong, Suchittra<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=402#tppubs\" >G. Brunetto J.M. de Sousa, V. R. Coluci<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=513#tppubs\" > Jalilov, Almaz S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=504#tppubs\" > Jaques, Ygor M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=458#tppubs\" > Jaques, Ygor M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=631#tppubs\" > Jaques, YM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=659#tppubs\" > Jaques, Y. M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=621#tppubs\" > Jaques, Ygor M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=587#tppubs\" > Jaques, Ygor M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=720#tppubs\" >Ygor M.; Galvao Jaques, Douglas S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=472#tppubs\" >Shaoli Fang Jiangtao Di, Francisco A Moura<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=476#tppubs\" >T Botari JM de Sousa, E Perim<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=697#tppubs\" > Jorio, Ado<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=46#tppubs\" > Jorio, A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=69#tppubs\" > Jorio, Ado<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=479#tppubs\" > Jose, Sujin<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=603#tppubs\" > Jose, Sujin<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=404#tppubs\" >Gustavo Brunetto Jose M. de Sousa, Vitor R. Coluci<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=465#tppubs\" > Joselevich, Ernesto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=158#tppubs\" > Joselevich, Ernesto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=461#tppubs\" >Leonardo Dantas Machado Jose\u0301 Moreira de Sousa, Cristiano Francisco Woellner<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=515#tppubs\" > Joyner, Jarin<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=726#tppubs\" > Junkermeier, C. E.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=597#tppubs\" > Kabbani, Ahmad T.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=590#tppubs\" > Kabbani, Mohamad A.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=732#tppubs\" > Kaipparettu, B. A.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=699#tppubs\" > Kalisky, Beena<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=82#tppubs\" > Kepler, RG<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=180#tppubs\" > Keplero, RG<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=313#tppubs\" > Khatiwada, Suman<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=224#tppubs\" > Kim, Seon Jeong<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=106#tppubs\" > Kleinke, MU<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=591#tppubs\" > Kochat, Vidya<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=498#tppubs\" > Koizumi, Ryota<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=122#tppubs\" > Konstantinova, Elena<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=185#tppubs\" > Kopelevich, Y<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=620#tppubs\" > Kosolwattana, Suppanat<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=29#tppubs\" > Kozlov, Mikhail E<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=689#tppubs\" > Kremen, Anna<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=594#tppubs\" > Krishnadas, K. R.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=389#tppubs\" >Yongji Gong Kunttal Keyshar, Gonglan Ye<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=760#tppubs\" > Kusch, Patryk<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=201#tppubs\" > Lagos, M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=187#tppubs\" > Lagos, Maureen<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=133#tppubs\" > Lagos, Maureen J<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=116#tppubs\" > Lagos, MJ<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=52#tppubs\" > Laks, B<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=191#tppubs\" > Laks, Bernardo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=691#tppubs\" > Lapin, Zachary J.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=50#tppubs\" > Lavarda, FC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=190#tppubs\" > Lavarda, Francisco C<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=390#tppubs\" >SB Legoas LD Machado, JS Soares<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=14#tppubs\" > Legoas, SB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=6#tppubs\" > Legoas, Sergio B<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=145#tppubs\" > Legoas, Sergio Benites<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=693#tppubs\" > Legoas, Sergio B.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=455#tppubs\" > Lei, Sidong<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=139#tppubs\" > Lemos, V<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=474#tppubs\" >Sehmus Ozden Leonardo D Machado, ChandraSekhar Tiwary<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=456#tppubs\" > Li, Bo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=216#tppubs\" > Li, Na<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=669#tppubs\" > Li, Tong<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=215#tppubs\" > Lima, Marcio D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=85#tppubs\" > Lorite, Gabriela S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=735#tppubs\" > Lou, J.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=541#tppubs\" > Lou, Jun<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=519#tppubs\" > Lou, Jun<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=452#tppubs\" > Loya, Phillip<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=206#tppubs\" > Lucena, Liacir S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=195#tppubs\" > L\u00e6gsgaard, E<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=36#tppubs\" > L\u00e6gsgaard, Erik<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=615#tppubs\" > M, Ajayan Pulickel<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=317#tppubs\" > M. Ajayan, Pulickel<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=618#tppubs\" > Machado, Leonardo D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=692#tppubs\" > Machado, Leonardo D.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=234#tppubs\" > Machado, LD<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=314#tppubs\" > Machado, Leonardo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=155#tppubs\" > Machado, Leonardo D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=478#tppubs\" > Machado, Leonardo D.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=208#tppubs\" > Machado, Leonardo Dantas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=228#tppubs\" > Madden, John DW<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=176#tppubs\" > Malta, Coraci P<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=96#tppubs\" > Malta, CP<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=767#tppubs\" > Malviya, Kirtman D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=629#tppubs\" > Manimunda, P<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=660#tppubs\" > Manimunda, P.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=586#tppubs\" > Manimunda, Praveena<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=521#tppubs\" > Maria, Marco AE<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=569#tppubs\" > Marti, Angel A.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=103#tppubs\" > Martins, Bruno VC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=95#tppubs\" > Martins, BVC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=265#tppubs\" > Martins, Eric Perim<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=264#tppubs\" > Mathkar, Akshay<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=557#tppubs\" > MAURIN, Guillaume<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=496#tppubs\" > Maurin, Guillaume<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=241#tppubs\" >de Melo, CP<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=600#tppubs\" > Mishra, Vijay Kumar<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=250#tppubs\" > Miyazaki, Celina M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=530#tppubs\" > Mizaikoff, Boris<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=378#tppubs\" >PAS Autreto MJ Lagos, J Bettini<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=360#tppubs\" >PAS Autreto MJ Lagos, SB Legoas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=470#tppubs\" >Chandra Sekhar Tiwary Mohamad A Kabbani, Anirban Som<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=376#tppubs\" >Chandra Sekhar Tiwary Mohamad A Kabbani, Pedro AS Autreto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=352#tppubs\" > Monomers, I<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=110#tppubs\" > Moreau, ALD<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=40#tppubs\" > Moreira, Anderson S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=83#tppubs\" > Moreira, AS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=143#tppubs\" > Moreira, DA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=199#tppubs\" > Moreira, E<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=175#tppubs\" > Moreira, Edvan<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=655#tppubs\" > Moshkalev, Stanislav<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=62#tppubs\" > Mota, Rog'erio Pinto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=527#tppubs\" > Moura, Francisco Alirio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=377#tppubs\" >Acr\u00edsio L Aguiar Nadia Ferreira Andrade, Yoong Ahm Kim<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=109#tppubs\" > Nakabayashi, D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=630#tppubs\" > Nakanishi, Y<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=661#tppubs\" > Nakanishi, Y.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=758#tppubs\" > Nakar, Dekel<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=326#tppubs\" > Narayanan, Tharangattu N<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=566#tppubs\" > Neupane, Ram<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=464#tppubs\" >Anna Kremen Nitzan Shadmi, Yiftach Frenkel<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=551#tppubs\" > NORMAND, Perine<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=698#tppubs\" > Novotny, Lukas<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=627#tppubs\" > Odeh, Ihab N<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=219#tppubs\" > Oh, Jiyoung<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=118#tppubs\" >de Oliveira, Ricardo T<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=113#tppubs\" >de Oliveira, Viviane M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=744#tppubs\" > Oliveira, Eliezer F.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=546#tppubs\" > Oliveira, Eliezer Fernando<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=768#tppubs\" > Oliveira, Eliezer F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=649#tppubs\" > Oliveira, Eliezer Fernando<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=719#tppubs\" >Eliezer F.; Autreto Oliveira, Pedro A. S. ; Woellner<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=752#tppubs\" >Eliezer F; Autreto Oliveira, Pedro AS; Woellner<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=66#tppubs\" >de Oliveira Dantas, Socrates<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=299#tppubs\" > Oliveira Dantas, S de<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=129#tppubs\" >de Oliveira Jr, Osvaldo N<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=192#tppubs\" > Otero, R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=32#tppubs\" > Otero, Roberto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=120#tppubs\" > others,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=511#tppubs\" > Owuor, Peter Samora<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=724#tppubs\" > Owuor, P. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=531#tppubs\" > Owuor, Peter<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=616#tppubs\" > Owuor, Peter S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=668#tppubs\" > Owuor, Peter S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=574#tppubs\" > Owuor, Peter Samora<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=311#tppubs\" > Ozden, Sehmus<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=537#tppubs\" > Ozden, Sehmus<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=477#tppubs\" > P. M. Gautam, Chandkiram<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=754#tppubs\" > Pandeyb, Praful<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=730#tppubs\" > Park, J. H.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=512#tppubs\" > Park, Ok-Kyung<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=678#tppubs\" >Ok-Kyung; Owuor Park, Peter; Morais Jaques<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=565#tppubs\" > Paulose, Maggie<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=230#tppubs\" > Paupitz, R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=233#tppubs\" > Paupitz, Ricardo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=410#tppubs\" > Paupitz, Ricardo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=365#tppubs\" > Pedro A. S. Autreto, Douglas S. Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=682#tppubs\" > Pedro Alves da Silva Autreto,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=623#tppubs\" > Pedrotti, Jairo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=583#tppubs\" > Pengpat, Kamonpan<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=255#tppubs\" > Pereira-da-Silva, Marcelo A<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=658#tppubs\" > Perim, Eric<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=207#tppubs\" > Perim, E<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=132#tppubs\" > Perim, Eric<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=552#tppubs\" > PERMIAKOVA, Anastasia<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=489#tppubs\" >Cristiano F Woellner Peter Samora Owuor, Tong Li<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=138#tppubs\" > Pires, MS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=322#tppubs\" > PMVB, Barone<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=400#tppubs\" >A Camilo Jr PMVB Barone, DS Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=696#tppubs\" > Popovitz-Biro, Ronit<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=596#tppubs\" > Pradeep, Thalappil<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=303#tppubs\" > Pudensi, MA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=319#tppubs\" > Pugno, Nicola<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=68#tppubs\" > Pugno, Nicola M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=283#tppubs\" > Pugno, NM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=508#tppubs\" > Qin, Guangzhao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=729#tppubs\" > Radhakrishnan, S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=559#tppubs\" > Radhakrishnan, Sruthi<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=534#tppubs\" > Ramanujan, R V<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=4#tppubs\" > Ramasesha, S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=151#tppubs\" > Rangel, Elidiane C<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=564#tppubs\" > Rao, Manmadha<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=202#tppubs\" > Rdrigues, V<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=695#tppubs\" > Rechav, Katya<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=22#tppubs\" > Rego, LGC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=761#tppubs\" > Reich, Stephanie<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=563#tppubs\" >de los Reyes, Carlos<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=301#tppubs\" > Rios, JM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=251#tppubs\" > Riul, Antonio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=523#tppubs\" > Riul Jr., Antonio<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=23#tppubs\" > Rocha, AR<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=147#tppubs\" > Rocha, Tulio CR<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=20#tppubs\" > Rodrigues, V<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=8#tppubs\" > Rodrigues, Varlei<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=576#tppubs\" > Rodrigues, Varlei<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=762#tppubs\" >Arpan; Gumaste Rout, Anurag; Pandey<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=753#tppubs\" > Routa, Arpan<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=90#tppubs\" > Rurali, R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=55#tppubs\" > Rurali, Riccardo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=467#tppubs\" >Amelia HC Hart Ryota Koizumi, Gustavo Brunetto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=708#tppubs\" > S, S. Sreehala<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=573#tppubs\" > Sajadi, Seyed Mohammad<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=672#tppubs\" > Salvatierra, Rodrigo V.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=499#tppubs\" > Samanta, Atanu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=150#tppubs\" > Santo, Larissa LE<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=213#tppubs\" > Santo, LL do E<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=172#tppubs\" > Santo, LLE<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=164#tppubs\" >dos Santos, Adenilson O<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=327#tppubs\" >dos Santos, Maria C<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=135#tppubs\" >dos Santos, Maria Cristina<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=211#tppubs\" >dos Santos, Ricardo P<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=210#tppubs\" >dos Santos, Ricardo PB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=181#tppubs\" >dos Santos, RPB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=149#tppubs\" >dos Santos, Sergio G<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=680#tppubs\" > Santos, Ricardo Paupitz<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=209#tppubs\" > Santos, BI<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=300#tppubs\" > Santos, DA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=204#tppubs\" > Santos, Helio F dos<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=238#tppubs\" > Santos, Ricardo Paupitz<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=178#tppubs\" > Santos, Ricardo PB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=93#tppubs\" > Santos, Sergio G dos<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=24#tppubs\" > Sato, F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=34#tppubs\" > Sato, Fernando<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=580#tppubs\" > Sayed, Farheen N.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=294#tppubs\" >VR Coluci SB Legoas, SF Braga<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=575#tppubs\" > Schara, Steven<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=245#tppubs\" > Schulz, PA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=460#tppubs\" >Gustavo Brunetto Sehmus Ozden, N. S. Karthiselva<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=469#tppubs\" >Leonardo D Machado Sehmus Ozden, ChandraSekhar Tiwary<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=555#tppubs\" > SERRE, Christian<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=688#tppubs\" > Shadmi, Nitzan<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=157#tppubs\" > Shadmi, Nitzan<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=710#tppubs\" > Sharma, Sudhanshu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=542#tppubs\" > Sharma, V<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=443#tppubs\" > Shaw, Preston<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=99#tppubs\" > Sherwood, JN<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=167#tppubs\" > Sherwood, John N<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=227#tppubs\" > Shin, Min Kyoon<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=298#tppubs\" > Shulz, PAB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=459#tppubs\" >Xifan Wang Sidong Lei, Bo Li<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=522#tppubs\" >de Siervo, Abner<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=622#tppubs\" > Silva, Carlos J R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=144#tppubs\" >da Silva, LR<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=86#tppubs\" >da Silva, Maria Ivonete N<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=183#tppubs\" >da Silva, RR<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=628#tppubs\" > Silva, Glaura G.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=501#tppubs\" > Silva, Glaura G<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=309#tppubs\" > Silva, JC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=619#tppubs\" > Silva, Wellington M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=267#tppubs\" >da Silva Autreto, Pedro Alves<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=500#tppubs\" > Singh, Abhisek K<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=756#tppubs\" > Singha, Amit<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=561#tppubs\" > Sinha, Shyam K.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=773#tppubs\" > Sinnott, SB<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=121#tppubs\" > Skaf, Munir S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=246#tppubs\" > Smith, C Morais<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=306#tppubs\" > Smith, CM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=107#tppubs\" > Soares, DM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=156#tppubs\" > Soares, Jaqueline S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=704#tppubs\" > Solis, Daniel<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=493#tppubs\" > Solis, Daniel<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=593#tppubs\" > Som, Anirban<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=481#tppubs\" > Sonker, Rakesh K.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=3#tppubs\" > Soos, ZG<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=168#tppubs\" > Soos, Zoltan G<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=44#tppubs\" > Soos, Zolt'an G<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=536#tppubs\" > Soto, Matias<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=485#tppubs\" >Chandra Sekhar Tiwary Soumya Vinod, Leonardo D Machado<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=248#tppubs\" >de Sousa, JM<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=503#tppubs\" >de Sousa, Jose M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=441#tppubs\" >de Sousa, Jose Moreira<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=650#tppubs\" >de Sousa, J. M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=422#tppubs\" >de Sousa, Jose M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=763#tppubs\" >JM; Sousa, Bizao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=220#tppubs\" > Spinks, Geoffrey M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=494#tppubs\" > Splugues, Vinicius<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=231#tppubs\" > Srinivasan, S Goverapet<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=640#tppubs\" >Parambath M Sudeep Sruthi Radhakrishnan, Jun Hyoung Park<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=681#tppubs\" > Stanislav Moshkalev,<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=535#tppubs\" > Stender, Anthony S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=582#tppubs\" > Stender, Anthony<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=196#tppubs\" > Stensgaard, I<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=37#tppubs\" > Stensgaard, Ivan<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=222#tppubs\" > Suh, Dongseok<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=475#tppubs\" >Chandra Sekhar Tiwary Sujin P Jose, Suppanat Kosolwattana<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=268#tppubs\" > Sun, Chengjun<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=662#tppubs\" > Susarla, S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=585#tppubs\" > Susarla, Sandhya<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=632#tppubs\" > Susarla, S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=514#tppubs\" > Susarla, Sandhya<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=717#tppubs\" >Sandhya; Manimunda Susarla, Praveena; Morais Jaques<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=324#tppubs\" > Taha-Tijerina, Jaime<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=49#tppubs\" > Takahata, Y<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=105#tppubs\" > Teschke, O<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=194#tppubs\" > Thostrup, P<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=35#tppubs\" > Thostrup, Peter<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=131#tppubs\" > Timoteo, VS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=667#tppubs\" > Tiwary, C. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=739#tppubs\" > Tiwary, C. S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=624#tppubs\" > Tiwary, Chandra S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=676#tppubs\" > Tiwary, Chandra S.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=548#tppubs\" > Tiwary, Chandra Sekhar<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=748#tppubs\" > Tiwary, Chandrasekhar<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=770#tppubs\" > Tiwary, Candra S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=502#tppubs\" > Tiwary, Chandra S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=312#tppubs\" > Tiwary, Chandra Sekhar<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=636#tppubs\" > Tiwary, CS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=79#tppubs\" > Tom'anek, David<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=184#tppubs\" > Torres, JHS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=308#tppubs\" > Torriani, IL<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=675#tppubs\" > Tour, James M.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=518#tppubs\" > Tour, James M<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=617#tppubs\" > Trigueiro, Joao P C<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=605#tppubs\" > Trivedi, Ritu<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=53#tppubs\" > Troche, Karla S<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=134#tppubs\" > Troche, KS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=723#tppubs\" > Tsafack, T.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=736#tppubs\" > Tsang, H. H.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=581#tppubs\" > Tsang, Harvey H.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=25#tppubs\" > Ugarte, D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=9#tppubs\" > Ugarte, Daniel<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=738#tppubs\" > Vajtai, R.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=539#tppubs\" > Vajtai, Robert<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=315#tppubs\" > Vajtai, Robert<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=571#tppubs\" > Varghese, Oomman K<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=256#tppubs\" > Vasconcelos, MS<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=84#tppubs\" > Vendrame, R<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=47#tppubs\" > Vendrame, Rosana<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=302#tppubs\" > Vicentin, FC<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=374#tppubs\" >Andrei V Alaferdov Victor A Ermakov, Alfredo R Vaz<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=517#tppubs\" > Villegas Salvatierra, Rodrigo<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=670#tppubs\" > Vinod, Soumya<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=323#tppubs\" > Vinod, Soumya<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=229#tppubs\" > Voit, Walter E<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=170#tppubs\" > Von Zuben, AA<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=78#tppubs\" > Wang, Yang<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=226#tppubs\" > Ware, Taylor<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=673#tppubs\" > Wei, Bingqing<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=556#tppubs\" > WEIRELD, Guy DE<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=663#tppubs\" > Woellner, C. F.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=533#tppubs\" > Woellner, Cristiano F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=560#tppubs\" > Woellner, Cristiano F.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=633#tppubs\" > Woellner, CF<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=702#tppubs\" > Woellner, Cristiano<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=492#tppubs\" > Woellner, Cristiano F<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=442#tppubs\" > Woellner, Cristiano Francisco<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=130#tppubs\" > Wohnrath, Karen<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=440#tppubs\" > Woo, Tom K<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=482#tppubs\" > Yadav, B. C.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=721#tppubs\" >Thakur P.; Woellner Yadav, Cristiano F. ; Sinha<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=453#tppubs\" > Yang, Yingchao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=725#tppubs\" > Yeon, J.<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=462#tppubs\" > Ygor M. Jaques, Gustavo Brunetto<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=148#tppubs\" > Zanchet, Daniela<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=373#tppubs\" >S Fang ZF Liu, FA Moura<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=399#tppubs\" >S Ramasesha ZG Soos, DS Galvao<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=772#tppubs\" > Zhang, D<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=30#tppubs\" > Zhang, Mei<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=507#tppubs\" > Zhou, Yanguang<\/option><option value = \"tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=526#tppubs\" > Zink, Stefan<\/option>\r\n                <\/select><select class=\"default\" name=\"usr\" id=\"usr\" tabindex=\"6\" onchange=\"teachpress_jumpMenu('parent',this, 'https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?')\">\r\n                   <option value=\"tgid=&amp;yr=&amp;type=&amp;auth=&amp;usr=#tppubs\">All users<\/option>\r\n                   \r\n                <\/select><\/div><\/form><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">386 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 8 <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=8&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><div class=\"teachpress_publication_list\"><h3 class=\"tp_h3\" id=\"tp_h3_2019\">2019<\/h3><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">386.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/08\/Screen-Shot-2019-08-03-at-12.55.27.png\" width=\"300\" alt=\"Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Malviya, Kirtman D;  Oliveira, Eliezer F;  Autreto, Pedro A S;  Ajayan, Pulickel M;  Galvao, D S;  Tiwary, Candra S;  Chattopadhyay, Kumanio<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1088\/1361-6463\/ab36d1\" title=\"Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study\" target=\"blank\">Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physics D: Applied Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 52, <\/span><span class=\"tp_pub_additional_number\">no. 44, <\/span><span class=\"tp_pub_additional_pages\">pp. 445304, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_438\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('438','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_438\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('438','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_438\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('438','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=223#tppubs\" title=\"Show all publications which have a relationship to this tag\">Metal<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_438\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Malviya2019,<br \/>\r\ntitle = {Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study},<br \/>\r\nauthor = {Malviya, Kirtman D and Oliveira, Eliezer F and Autreto, Pedro A S and Ajayan, Pulickel M and Galvao, D S and Tiwary, Candra S and Chattopadhyay, Kumanio},<br \/>\r\nurl = {https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta},<br \/>\r\ndoi = {10.1088\/1361-6463\/ab36d1},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-08-20},<br \/>\r\njournal = {Journal of Physics D: Applied Physics},<br \/>\r\nvolume = {52},<br \/>\r\nnumber = {44},<br \/>\r\npages = {445304},<br \/>\r\nabstract = {In two-component metallic systems, thermodynamic immiscibility leads to phase separation<br \/>\r\nsuch as in two-phase eutectic compositional alloys. The limit of the immiscibility of<br \/>\r\ncomponent elements under non-equilibrium conditions have been explored, but achieving<br \/>\r\ncomplete miscibility and formation of single phase microstructures in eutectic alloys would<br \/>\r\nbe unprecedented. Here we report that during low-temperature ball milling that provides high<br \/>\r\nenergy impact, complete mixing of phases can occur in immiscible Ag-Cu eutectic alloys.<br \/>\r\nFrom combined theoretical and experimental studies, we show that impact can produce solid<br \/>\r\nsolutions of Ag-Cu nanoparticles of eutectic composition. Our results show that phase<br \/>\r\ndiagrams of low dimensional materials under non-equilibrium conditions remain unexplored<br \/>\r\nand could lead to new alloy microstructures drastically different from their bulk counterparts.},<br \/>\r\nkeywords = {Mechanical Properties, Metal, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('438','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_438\" style=\"display:none;\"><div class=\"tp_abstract_entry\">In two-component metallic systems, thermodynamic immiscibility leads to phase separation<br \/>\r\nsuch as in two-phase eutectic compositional alloys. The limit of the immiscibility of<br \/>\r\ncomponent elements under non-equilibrium conditions have been explored, but achieving<br \/>\r\ncomplete miscibility and formation of single phase microstructures in eutectic alloys would<br \/>\r\nbe unprecedented. Here we report that during low-temperature ball milling that provides high<br \/>\r\nenergy impact, complete mixing of phases can occur in immiscible Ag-Cu eutectic alloys.<br \/>\r\nFrom combined theoretical and experimental studies, we show that impact can produce solid<br \/>\r\nsolutions of Ag-Cu nanoparticles of eutectic composition. Our results show that phase<br \/>\r\ndiagrams of low dimensional materials under non-equilibrium conditions remain unexplored<br \/>\r\nand could lead to new alloy microstructures drastically different from their bulk counterparts.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('438','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_438\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta\" title=\"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6463\/ab36d1\/meta<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1088\/1361-6463\/ab36d1\" title=\"Follow DOI:10.1088\/1361-6463\/ab36d1\" target=\"_blank\">doi:10.1088\/1361-6463\/ab36d1<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('438','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">385.<\/div><div class=\"tp_pub_image_left\"><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">de Sousa, Jose Moreira;  Autreto, Pedro da Silva;  Galvao, Douglas Soares<\/p><p class=\"tp_pub_title\">Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_437\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('437','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=2#tppubs\" title=\"Show all publications which have a relationship to this tag\">Carbon Nanotubes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=31#tppubs\" title=\"Show all publications which have a relationship to this tag\">Hydrogenation<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_437\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{deSousa2019d,<br \/>\r\ntitle = {Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review)},<br \/>\r\nauthor = {de Sousa, Jose Moreira and Autreto, Pedro da Silva and Galvao, Douglas Soares},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-07-15},<br \/>\r\nkeywords = {Carbon Nanotubes, Hydrogenation, Mechanical Properties, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('437','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">384.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Elastic Properties of Graphyne-based Nanotubes\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/05\/Screen-Shot-2019-05-07-at-12.17.58.png\" width=\"300\" alt=\"Elastic Properties of Graphyne-based Nanotubes\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">JM; Sousa, Bizao<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/pdf\/1905.02104.pdf\" title=\"https:\/\/arxiv.org\/pdf\/1905.02104.pdf\" target=\"blank\">Elastic Properties of Graphyne-based Nanotubes<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2019<\/span><span class=\"tp_pub_additional_note\">, (ArXiv preprint.)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_433\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('433','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_433\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('433','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_433\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('433','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7#tppubs\" title=\"Show all publications which have a relationship to this tag\">DFT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=20#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphynes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=13#tppubs\" title=\"Show all publications which have a relationship to this tag\">Nanotubes<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_433\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{deSousa2019b,<br \/>\r\ntitle = {Elastic Properties of Graphyne-based Nanotubes},<br \/>\r\nauthor = {de Sousa, JM; , Bizao, RA; Sousa Filho, VP; Aguiar, AL; Coluci, VR; Pugno, NM; Girao, EC; Souza Filho, AG; Galvao, DS},<br \/>\r\nurl = {https:\/\/arxiv.org\/pdf\/1905.02104.pdf},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-04-07},<br \/>\r\nabstract = {Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets,<br \/>\r\nin the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes<br \/>\r\nare 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to<br \/>\r\nconventional CNTs, GNTs can present different chiralities and electronic properties. Because<br \/>\r\nof the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their<br \/>\r\nmechanical properties. In this work, we studied the mechanical response of GNTs under<br \/>\r\ntensile stress using fully atomistic molecular dynamics simulations and density functional<br \/>\r\ntheory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs<br \/>\r\nat larger strain values in comparison to corresponding CNTs, but paradoxically with smaller<br \/>\r\nultimate strength and Young\u2019s modulus values. This is a consequence of the combined<br \/>\r\neffects of the existence of triple bonds and increased porosity\/flexibility due to the presence<br \/>\r\nof acetylenic groups.},<br \/>\r\nnote = {ArXiv preprint.},<br \/>\r\nkeywords = {DFT, Graphynes, Molecular Dynamics, Nanotubes},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('433','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_433\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets,<br \/>\r\nin the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes<br \/>\r\nare 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to<br \/>\r\nconventional CNTs, GNTs can present different chiralities and electronic properties. Because<br \/>\r\nof the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their<br \/>\r\nmechanical properties. In this work, we studied the mechanical response of GNTs under<br \/>\r\ntensile stress using fully atomistic molecular dynamics simulations and density functional<br \/>\r\ntheory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs<br \/>\r\nat larger strain values in comparison to corresponding CNTs, but paradoxically with smaller<br \/>\r\nultimate strength and Young\u2019s modulus values. This is a consequence of the combined<br \/>\r\neffects of the existence of triple bonds and increased porosity\/flexibility due to the presence<br \/>\r\nof acetylenic groups.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('433','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_433\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-file-pdf\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/pdf\/1905.02104.pdf\" title=\"https:\/\/arxiv.org\/pdf\/1905.02104.pdf\" target=\"_blank\">https:\/\/arxiv.org\/pdf\/1905.02104.pdf<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('433','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">383.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Elastic Properties of Graphyne-Based Nanotubes\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/08\/Screen-Shot-2019-08-03-at-13.00.25.png\" width=\"300\" alt=\"Elastic Properties of Graphyne-Based Nanotubes\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">JM; Sousa, Bizao<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1016\/j.commatsci.2019.109153\" title=\"Elastic Properties of Graphyne-Based Nanotubes\" target=\"blank\">Elastic Properties of Graphyne-Based Nanotubes<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Computational Materials Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 170, <\/span><span class=\"tp_pub_additional_pages\">pp. 109153, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_434\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('434','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_434\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('434','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_434\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('434','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7#tppubs\" title=\"Show all publications which have a relationship to this tag\">DFT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=20#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphynes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=13#tppubs\" title=\"Show all publications which have a relationship to this tag\">Nanotubes<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_434\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{deSousa2019c,<br \/>\r\ntitle = {Elastic Properties of Graphyne-Based Nanotubes},<br \/>\r\nauthor = {de Sousa, JM; , Bizao, RA; Sousa Filho, VP; Aguiar, AL; Coluci, VR; Pugno, NM; Girao, EC; Souza Filho, AG; Galvao, DS},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauthor#s0040},<br \/>\r\ndoi = {10.1016\/j.commatsci.2019.109153},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-04-03},<br \/>\r\njournal = {Computational Materials Science},<br \/>\r\nvolume = {170},<br \/>\r\npages = {109153},<br \/>\r\nabstract = {Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets, in the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes are 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to conventional CNTs, GNTs can present different chiralities and electronic properties. Because of the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their mechanical properties. In this work, we studied the mechanical response of GNTs under tensile stress using fully atomistic molecular dynamics simulations and density functional theory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs at larger strain values in comparison to corresponding CNTs, but paradoxically with smaller ultimate strength and Young\u2019s modulus values. This is a consequence of the combined effects of the existence of triple bonds and increased porosity\/flexibility due to the presence of acetylenic groups.},<br \/>\r\nkeywords = {DFT, Graphynes, Molecular Dynamics, Nanotubes},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('434','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_434\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets, in the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes are 2D carbon-allotropes composed of atoms in sp and sp2 hybridized states. Similarly to conventional CNTs, GNTs can present different chiralities and electronic properties. Because of the acetylenic groups (triple bonds), GNTs exhibit large sidewall pores that influence their mechanical properties. In this work, we studied the mechanical response of GNTs under tensile stress using fully atomistic molecular dynamics simulations and density functional theory (DFT) calculations. Our results show that GNTs mechanical failure (fracture) occurs at larger strain values in comparison to corresponding CNTs, but paradoxically with smaller ultimate strength and Young\u2019s modulus values. This is a consequence of the combined effects of the existence of triple bonds and increased porosity\/flexibility due to the presence of acetylenic groups.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('434','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_434\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauthor#s0040\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauth[...]\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025619304525?dgcid=coauth[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.commatsci.2019.109153\" title=\"Follow DOI:10.1016\/j.commatsci.2019.109153\" target=\"_blank\">doi:10.1016\/j.commatsci.2019.109153<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('434','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">382.<\/div><div class=\"tp_pub_image_left\"><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Fonseca, AF;  Dantas, SO;  Galvao, DS;  Zhang, D;  Sinnott, SB<\/p><p class=\"tp_pub_title\">The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_439\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('439','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=112#tppubs\" title=\"Show all publications which have a relationship to this tag\">C60<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_439\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Fonseca2019d,<br \/>\r\ntitle = {The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review)},<br \/>\r\nauthor = {Fonseca, AF and Dantas, SO and Galvao, DS and Zhang, D and Sinnott, SB},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-04-03},<br \/>\r\nkeywords = {C60, Graphene, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('439','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">381.<\/div><div class=\"tp_pub_image_left\"><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Arpan; Gumaste Rout, Anurag; Pandey<\/p><p class=\"tp_pub_title\">Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_432\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('432','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=223#tppubs\" title=\"Show all publications which have a relationship to this tag\">Metal<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=193#tppubs\" title=\"Show all publications which have a relationship to this tag\">Polymers<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_432\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Rout2019,<br \/>\r\ntitle = {Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review)},<br \/>\r\nauthor = {Rout, Arpan; Gumaste, Anurag; Pandey, Praful; Oliveira, Eliezer; Demiss,<br \/>\r\nSolomon; P., Mahesh; Bhatt, Chintan; Raphael, Kiran; Ayyagari, Ravi; Autreto, Pedro;<br \/>\r\nPalit, Mithun; Femi, Olu Emmanuel; Galvao, Douglas; Arora, Amit; Tiwary, Chandra},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-03-30},<br \/>\r\nkeywords = {Metal, Molecular Dynamics, Polymers},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('432','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">380.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/05\/Screen-Shot-2019-05-07-at-12.37.47.png\" width=\"300\" alt=\"The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">AF; Dantas Fonseca, SO; Galvao<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/pdf\/1904.09871.pdf\" title=\"https:\/\/arxiv.org\/pdf\/1904.09871.pdf\" target=\"blank\">The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2019<\/span><span class=\"tp_pub_additional_note\">, (ArXiv preprint)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_435\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('435','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_435\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('435','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_435\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('435','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=112#tppubs\" title=\"Show all publications which have a relationship to this tag\">C60<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_435\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Fonseca2019b,<br \/>\r\ntitle = {The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study},<br \/>\r\nauthor = {Fonseca, AF; Dantas, SO; Galvao, DS; Zhang, D; Sinnott SB},<br \/>\r\nurl = {https:\/\/arxiv.org\/pdf\/1904.09871.pdf},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-03-22},<br \/>\r\nabstract = {Two experimental studies reported the spontaneous formation of amorphous and crystalline<br \/>\r\nstructures of C60 intercalated between graphene and a substrate. They observed interesting<br \/>\r\nphenomena ranging from reaction between C60 molecules under graphene to graphene<br \/>\r\nsagging between the molecules and control of strain in graphene. Motivated by these works,<br \/>\r\nwe performed fully atomistic reactive molecular dynamics simulations to study the formation<br \/>\r\nand thermal stability of graphene wrinkles as well as graphene attachment to and detachment<br \/>\r\nfrom the substrate when graphene is laid over a previously distributed array of C60 molecules<br \/>\r\non a copper substrate at different values of temperature. As graphene compresses the C60<br \/>\r\nmolecules against the substrate, and graphene attachment to the substrate between C60s<br \/>\r\n(\u201cC60S\u201d stands for plural of C60) depends on the height of graphene wrinkles, configurations<br \/>\r\nwith both frozen and non-frozen C60s structures were investigated in order to verify the<br \/>\r\nexperimental result of stable sagged graphene when the distance between C60s is about 4 nm<br \/>\r\nand height of graphene wrinkles is about 0.8 nm. Below the distance of 4 nm between C60s,<br \/>\r\ngraphene becomes locally suspended and less strained. We show that this happens when C60s<br \/>\r\nare allowed to deform under the compressive action of graphene. If we keep the C60s frozen,<br \/>\r\nspontaneous \u201cblanketing\u201d of graphene happens only when the distance between them are<br \/>\r\nequal or above 7 nm. Both above results for the existence of stable sagged graphene for C60<br \/>\r\ndistances of 4 or 7 nm are shown to agree with a mechanical model relating the rigidity of<br \/>\r\ngraphene to the energy of graphene-substrate adhesion. Although the studies of intercalation<br \/>\r\nof molecules on interfaces formed by graphene-substrate are motivated by finding out ways to<br \/>\r\ncontrol wrinkling and strain in graphene, our work reveals the shape and structure of<br \/>\r\nintercalated molecules and the role of stability and wrinkling on final structure of graphene.<br \/>\r\nIn particular, this study might help the development of 2D confined nanoreactors that are<br \/>\r\nconsidered in literature to be the next advanced step on chemical reactions.},<br \/>\r\nnote = {ArXiv preprint},<br \/>\r\nkeywords = {C60, Graphene, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('435','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_435\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Two experimental studies reported the spontaneous formation of amorphous and crystalline<br \/>\r\nstructures of C60 intercalated between graphene and a substrate. They observed interesting<br \/>\r\nphenomena ranging from reaction between C60 molecules under graphene to graphene<br \/>\r\nsagging between the molecules and control of strain in graphene. Motivated by these works,<br \/>\r\nwe performed fully atomistic reactive molecular dynamics simulations to study the formation<br \/>\r\nand thermal stability of graphene wrinkles as well as graphene attachment to and detachment<br \/>\r\nfrom the substrate when graphene is laid over a previously distributed array of C60 molecules<br \/>\r\non a copper substrate at different values of temperature. As graphene compresses the C60<br \/>\r\nmolecules against the substrate, and graphene attachment to the substrate between C60s<br \/>\r\n(\u201cC60S\u201d stands for plural of C60) depends on the height of graphene wrinkles, configurations<br \/>\r\nwith both frozen and non-frozen C60s structures were investigated in order to verify the<br \/>\r\nexperimental result of stable sagged graphene when the distance between C60s is about 4 nm<br \/>\r\nand height of graphene wrinkles is about 0.8 nm. Below the distance of 4 nm between C60s,<br \/>\r\ngraphene becomes locally suspended and less strained. We show that this happens when C60s<br \/>\r\nare allowed to deform under the compressive action of graphene. If we keep the C60s frozen,<br \/>\r\nspontaneous \u201cblanketing\u201d of graphene happens only when the distance between them are<br \/>\r\nequal or above 7 nm. Both above results for the existence of stable sagged graphene for C60<br \/>\r\ndistances of 4 or 7 nm are shown to agree with a mechanical model relating the rigidity of<br \/>\r\ngraphene to the energy of graphene-substrate adhesion. Although the studies of intercalation<br \/>\r\nof molecules on interfaces formed by graphene-substrate are motivated by finding out ways to<br \/>\r\ncontrol wrinkling and strain in graphene, our work reveals the shape and structure of<br \/>\r\nintercalated molecules and the role of stability and wrinkling on final structure of graphene.<br \/>\r\nIn particular, this study might help the development of 2D confined nanoreactors that are<br \/>\r\nconsidered in literature to be the next advanced step on chemical reactions.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('435','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_435\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-file-pdf\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/pdf\/1904.09871.pdf\" title=\"https:\/\/arxiv.org\/pdf\/1904.09871.pdf\" target=\"_blank\">https:\/\/arxiv.org\/pdf\/1904.09871.pdf<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('435','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">379.<\/div><div class=\"tp_pub_image_left\"><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">AF; Dantas Fonseca, SO; Galvao<\/p><p class=\"tp_pub_title\">The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_436\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('436','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=112#tppubs\" title=\"Show all publications which have a relationship to this tag\">C60<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_436\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Fonseca2019c,<br \/>\r\ntitle = {The Structure of Graphene on Graphene\/C60\/Cu Interfaces: A Molecular Dynamics Study (under review)},<br \/>\r\nauthor = {Fonseca, AF; Dantas, SO; Galvao, DS; Zhang, D; Sinnott SB},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-03-15},<br \/>\r\nkeywords = {C60, Graphene, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('436','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">378.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/02\/Screen-Shot-2019-02-23-at-10.49.16.png\" width=\"300\" alt=\"Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Routa, Arpan;  Pandeyb, Praful;  Oliveira, Eliezer Fernando; da Silva Autreto, Pedro Alves;  Gumastea, Anurag;  Singha, Amit;  Galvao, Douglas Soares;  Aroraa, Amit;  Tiwary, Chandra Sekhar<\/p><p class=\"tp_pub_title\">Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Polymer, <\/span><span class=\"tp_pub_additional_volume\">vol. 169, <\/span><span class=\"tp_pub_additional_pages\">pp. 148-153, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_430\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('430','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_430\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('430','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=220#tppubs\" title=\"Show all publications which have a relationship to this tag\">Composites<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=223#tppubs\" title=\"Show all publications which have a relationship to this tag\">Metal<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=193#tppubs\" title=\"Show all publications which have a relationship to this tag\">Polymers<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_430\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Routa2019,<br \/>\r\ntitle = {Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction},<br \/>\r\nauthor = {Arpan Routa and Praful Pandeyb and Eliezer Fernando Oliveira and Pedro Alves da Silva Autreto and Anurag Gumastea and Amit Singha and Douglas Soares Galvao and Amit Aroraa and Chandra Sekhar Tiwary},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-23},<br \/>\r\njournal = {Polymer},<br \/>\r\nvolume = {169},<br \/>\r\npages = {148-153},<br \/>\r\nabstract = {Joining different parts is one of a crucial component of designing\/engineering of materials. The current energy, low efficiency weight automotive and aerospace components commonly consist of different class of materials, such as metal, polymer, and ceramics, etc. Joining these components remains a challenge. Here, we demonstrate joining of metal (aluminum) and polymer (PP) using mechanical friction. The detailed characterisation demonstrates that atomically locked interfaces are formed in such joining without the presence of any chemical bond at the interfaces. The waterproof and strong interface is formed in such process. Fully atomistic molecular dynamics simulations were also carried out to provide further insights on these mechanisms.},<br \/>\r\nkeywords = {Composites, Metal, Molecular Dynamics, Polymers},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('430','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_430\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Joining different parts is one of a crucial component of designing\/engineering of materials. The current energy, low efficiency weight automotive and aerospace components commonly consist of different class of materials, such as metal, polymer, and ceramics, etc. Joining these components remains a challenge. Here, we demonstrate joining of metal (aluminum) and polymer (PP) using mechanical friction. The detailed characterisation demonstrates that atomically locked interfaces are formed in such joining without the presence of any chemical bond at the interfaces. The waterproof and strong interface is formed in such process. Fully atomistic molecular dynamics simulations were also carried out to provide further insights on these mechanisms.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('430','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">377.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"On the mechanical properties of protomene: A theoretical investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/01\/Screen-Shot-2019-01-29-at-00.21.51.png\" width=\"300\" alt=\"On the mechanical properties of protomene: A theoretical investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Eliezer F; Autreto Oliveira, Pedro AS; Woellner<\/p><p class=\"tp_pub_title\">On the mechanical properties of protomene: A theoretical investigation <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Computational Materials Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 161, <\/span><span class=\"tp_pub_additional_pages\">pp. 190-198, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_429\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('429','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_429\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('429','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=255#tppubs\" title=\"Show all publications which have a relationship to this tag\">protomene<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_429\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Oliveira2019c,<br \/>\r\ntitle = {On the mechanical properties of protomene: A theoretical investigation},<br \/>\r\nauthor = {Oliveira, Eliezer F; Autreto, Pedro AS; Woellner, Cristiano F; Galvao, Douglas S},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-07},<br \/>\r\njournal = {Computational Materials Science},<br \/>\r\nvolume = {161},<br \/>\r\npages = {190-198},<br \/>\r\nabstract = {We report a detailed study through fully atomistic molecular dynamics simulations and DFT calculations on the mechanical properties of protomene. Protomene is a new carbon allotrope composed of a mixture of sp2 and sp3 hybridized states. Our results indicate that protomene presents an anisotropic behavior about tensile deformations. At room temperature, protomene presents an ultimate strength of ~100 GPa and Young's modulus of ~600 GPa, lower than the same for other carbon allotropes. Despite that, protomente presents the highest ultimate strain along the z-direction (~ 24.7%). Our results also show that stretching the protomene along the z-direction or heating it can induce a semiconductor-metallic phase transition, due to a high amount of sp3 bonds that are converted to sp2  ones.},<br \/>\r\nkeywords = {Fracture, Mechanical Properties, Molecular Dynamics, protomene},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('429','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_429\" style=\"display:none;\"><div class=\"tp_abstract_entry\">We report a detailed study through fully atomistic molecular dynamics simulations and DFT calculations on the mechanical properties of protomene. Protomene is a new carbon allotrope composed of a mixture of sp2 and sp3 hybridized states. Our results indicate that protomene presents an anisotropic behavior about tensile deformations. At room temperature, protomene presents an ultimate strength of ~100 GPa and Young's modulus of ~600 GPa, lower than the same for other carbon allotropes. Despite that, protomente presents the highest ultimate strain along the z-direction (~ 24.7%). Our results also show that stretching the protomene along the z-direction or heating it can induce a semiconductor-metallic phase transition, due to a high amount of sp3 bonds that are converted to sp2  ones.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('429','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">376.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted)\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/2018-Langmuir-Droplet-Ygor-toc2.png\" width=\"300\" alt=\"Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted)\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Jaques, Ygor M.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\">Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Molecular Liquids, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_416\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('416','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_416\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('416','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=249#tppubs\" title=\"Show all publications which have a relationship to this tag\">droplets<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=198#tppubs\" title=\"Show all publications which have a relationship to this tag\">Impact Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=207#tppubs\" title=\"Show all publications which have a relationship to this tag\">water<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_416\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Jaques2019b,<br \/>\r\ntitle = {Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted)},<br \/>\r\nauthor = {Ygor M. Jaques and Douglas S. Galvao},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-05},<br \/>\r\njournal = {Journal of Molecular Liquids},<br \/>\r\nabstract = {The determination of the wettability of 2D materials is an area of intensive research, as it is decisive on the applications of these systems in nanofluidics. One important part of the wetting characterization is how the spreading of droplets impacting on the surfaces occurs. However, few works address this problem for layered materials. Here, we report a fully atomistic molecular dynamics study on the dynamics of impact of water nanodroplets (100  \u030aA of diameter) at high velocities (from 1 up to 15  \u030aA\/ps) against graphene targets. Our results show that tuning graphene wettability (through parameter changes) significantly affects the structural and dynamical aspects of the nanodroplets. We identified three ranges of velocities with distinct characteristics, from simple deposition of the droplet to spreading with rebound, and finally droplet frag- mentation. We also identify that in an intermediary velocity of 7  \u030aA\/ps, the pattern of spreading critically changes, due to formation of voids on droplet structure. These voids affect in a detrimental way the droplet spreading on the less hydrophilic surface, as it takes more time to the droplet recover from the spreading and to return to a semi-spherical configuration. When the velocity is increased to values larger than 11  \u030aA\/ps, the droplet fragments, which reveals the maximum possible spreading.},<br \/>\r\nkeywords = {droplets, Graphene, Impact Molecular Dynamics, water},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('416','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_416\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The determination of the wettability of 2D materials is an area of intensive research, as it is decisive on the applications of these systems in nanofluidics. One important part of the wetting characterization is how the spreading of droplets impacting on the surfaces occurs. However, few works address this problem for layered materials. Here, we report a fully atomistic molecular dynamics study on the dynamics of impact of water nanodroplets (100  \u030aA of diameter) at high velocities (from 1 up to 15  \u030aA\/ps) against graphene targets. Our results show that tuning graphene wettability (through parameter changes) significantly affects the structural and dynamical aspects of the nanodroplets. We identified three ranges of velocities with distinct characteristics, from simple deposition of the droplet to spreading with rebound, and finally droplet frag- mentation. We also identify that in an intermediary velocity of 7  \u030aA\/ps, the pattern of spreading critically changes, due to formation of voids on droplet structure. These voids affect in a detrimental way the droplet spreading on the less hydrophilic surface, as it takes more time to the droplet recover from the spreading and to return to a semi-spherical configuration. When the velocity is increased to values larger than 11  \u030aA\/ps, the droplet fragments, which reveals the maximum possible spreading.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('416','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">375.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/11\/2019-Carbon-Galvao-HighTempCNTnetsGA.jpg\" width=\"300\" alt=\"High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Sanjit; Ozden Bhowmick, Sehmus; Biz\u00e3o<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.09.075\" title=\"High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures\" target=\"blank\">High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Carbon, <\/span><span class=\"tp_pub_additional_volume\">vol. 142, <\/span><span class=\"tp_pub_additional_pages\">pp. 291-299, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_424\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('424','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_424\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('424','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_424\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('424','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=190#tppubs\" title=\"Show all publications which have a relationship to this tag\">CNT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_424\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Bhowmick2019,<br \/>\r\ntitle = {High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures},<br \/>\r\nauthor = {Bhowmick, Sanjit; Ozden, Sehmus; Biz\u00e3o, Rafael A; Machado, Leonardo Dantas; Asif, SA Syed; Pugno, Nicola M; Galvao, Douglas S; Tiwary, Chandra Sekhar; Ajayan, PM},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911},<br \/>\r\ndoi = {10.1016\/j.carbon.2018.09.075},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-02-01},<br \/>\r\njournal = {Carbon},<br \/>\r\nvolume = {142},<br \/>\r\npages = {291-299},<br \/>\r\nabstract = {Carbon nanotubes (CNTs) are one of the most appealing materials in recent history for both research and commercial interest because of their outstanding physical, chemical, and electrical properties. This is particularly true for 3D arrangements of CNTs which enable their use in larger scale devices and structures. In this paper, the effect of temperature on the quasistatic and dynamic deformation behavior of 3D CNT structures is presented for the first time. An in situ high-temperature nanomechanical instrument was used inside an SEM at high vacuum to investigate mechanical properties of covalently interconnected CNT porous structures in a wide range of temperature. An irreversible bucking at the base of pillar samples was found as a major mode of deformation at room and elevated temperatures. It has been observed that elastic modulus and critical load to first buckle formation decrease progressively with increasing temperature from 25\u202f\u00b0C to 750\u202f\u00b0C. To understand fatigue resistance, pillars made from this unique structure were compressed to 100 cycles at room temperature and 750\u202f\u00b0C. While the structure showed remarkable resistance to fatigue at room temperature, high temperature significantly lowers fatigue resistance. Molecular dynamics (MD) simulation of compression highlights the critical role played by covalent interconnections which prevent localized bending and improve mechanical properties.},<br \/>\r\nkeywords = {CNT, Fracture, Mechanical Properties, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('424','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_424\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Carbon nanotubes (CNTs) are one of the most appealing materials in recent history for both research and commercial interest because of their outstanding physical, chemical, and electrical properties. This is particularly true for 3D arrangements of CNTs which enable their use in larger scale devices and structures. In this paper, the effect of temperature on the quasistatic and dynamic deformation behavior of 3D CNT structures is presented for the first time. An in situ high-temperature nanomechanical instrument was used inside an SEM at high vacuum to investigate mechanical properties of covalently interconnected CNT porous structures in a wide range of temperature. An irreversible bucking at the base of pillar samples was found as a major mode of deformation at room and elevated temperatures. It has been observed that elastic modulus and critical load to first buckle formation decrease progressively with increasing temperature from 25\u202f\u00b0C to 750\u202f\u00b0C. To understand fatigue resistance, pillars made from this unique structure were compressed to 100 cycles at room temperature and 750\u202f\u00b0C. While the structure showed remarkable resistance to fatigue at room temperature, high temperature significantly lowers fatigue resistance. Molecular dynamics (MD) simulation of compression highlights the critical role played by covalent interconnections which prevent localized bending and improve mechanical properties.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('424','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_424\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318308911<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.09.075\" title=\"Follow DOI:10.1016\/j.carbon.2018.09.075\" target=\"_blank\">doi:10.1016\/j.carbon.2018.09.075<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('424','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">374.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/07\/Screen-Shot-2018-07-13-at-11.25.26.png\" width=\"300\" alt=\"Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Solis, Daniel;  Damasceno Borges, Daiane;  Woellner, Cristiano;  Galvao, Douglas<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1021\/acsami.8b03481\" title=\"Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)\" target=\"blank\">Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">ACS Applied Materials and Interfaces, <\/span><span class=\"tp_pub_additional_volume\">vol. 11, <\/span><span class=\"tp_pub_additional_pages\">pp. 2670\u22122676, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_411\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('411','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_411\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('411','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_411\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('411','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=213#tppubs\" title=\"Show all publications which have a relationship to this tag\">graphdiynes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=20#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphynes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=4#tppubs\" title=\"Show all publications which have a relationship to this tag\">Scrolls<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_411\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Solis2019,<br \/>\r\ntitle = {Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)},<br \/>\r\nauthor = {Solis, Daniel and Damasceno Borges, Daiane and Woellner, Cristiano and Galvao,<br \/>\r\nDouglas},<br \/>\r\nurl = {https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481},<br \/>\r\ndoi = {10.1021\/acsami.8b03481},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-23},<br \/>\r\njournal = {ACS Applied Materials and Interfaces},<br \/>\r\nvolume = {11},<br \/>\r\npages = {2670\u22122676},<br \/>\r\nabstract = {Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes, where acetylenic groups connect benzenoid-like hexagonal rings, with the coexistence of sp and sp2 hybridized carbon atoms. The main differences between graphynes and graphdiynes are the number of acetylenic groups (one and two for graphynes and graphdiynes, respectively). Similarly to graphene nanoscrolls, graphyne and graphdiynes nanoscrolls are nanosized membranes rolled into papyrus-like structures. In this work we studied through molecular dynamics simulations, using reactive potentials, the structural and thermal (up to 1000 K) stability of \u03b1,\u03b2,\u03b3-graphyne and \u03b1,\u03b2,\u03b3-graphdiyne scrolls. Our results demonstrate that stable nanoscrolls can be created for all the structures studied here, although they are less stable than corresponding graphene scrolls. This can be elucidated as a result of the higher graphyne\/graphdiyne structural porosity in relation to graphene, and as a consequence, the \u03c0\u2013\u03c0 stacking interactions decrease.},<br \/>\r\nkeywords = {graphdiynes, Graphynes, Molecular Dynamics, Scrolls},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('411','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_411\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes, where acetylenic groups connect benzenoid-like hexagonal rings, with the coexistence of sp and sp2 hybridized carbon atoms. The main differences between graphynes and graphdiynes are the number of acetylenic groups (one and two for graphynes and graphdiynes, respectively). Similarly to graphene nanoscrolls, graphyne and graphdiynes nanoscrolls are nanosized membranes rolled into papyrus-like structures. In this work we studied through molecular dynamics simulations, using reactive potentials, the structural and thermal (up to 1000 K) stability of \u03b1,\u03b2,\u03b3-graphyne and \u03b1,\u03b2,\u03b3-graphdiyne scrolls. Our results demonstrate that stable nanoscrolls can be created for all the structures studied here, although they are less stable than corresponding graphene scrolls. This can be elucidated as a result of the higher graphyne\/graphdiyne structural porosity in relation to graphene, and as a consequence, the \u03c0\u2013\u03c0 stacking interactions decrease.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('411','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_411\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481\" title=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acsami.8b03481<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acsami.8b03481\" title=\"Follow DOI:10.1021\/acsami.8b03481\" target=\"_blank\">doi:10.1021\/acsami.8b03481<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('411','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">373.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Elastic and \u2018transparent bone\u2019 as an electrochemical separator\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/01\/Screen-Shot-2019-01-05-at-14.34.45.png\" width=\"300\" alt=\"Elastic and \u2018transparent bone\u2019 as an electrochemical separator\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Owuor, Peter Samora;  Inthong, Suchittra;  Sajadi, Seyed Mohammad;  Intawin, Pratthana;  Chipara, Alin C.;  Woellner, Cristiano F.;  Sayed, Farheen N.;  Tsang, Harvey H.;  Stender, Anthony;  Vajtai, Robert;  Pengpat, Kamonpan;  Eitssayeam, Sukum;  Galvao, Douglas S.;  Lou, Jun;  Tiwary, Chandra Sekhar;  Ajayan, Pulickel M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1016\/j.mtchem.2018.12.009\" title=\"Elastic and \u2018transparent bone\u2019 as an electrochemical separator\" target=\"blank\">Elastic and \u2018transparent bone\u2019 as an electrochemical separator<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Materials Chemistry Today, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 132-138, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_371\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('371','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_371\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('371','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_371\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('371','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=257#tppubs\" title=\"Show all publications which have a relationship to this tag\">biomaterials<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=229#tppubs\" title=\"Show all publications which have a relationship to this tag\">Bone<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=230#tppubs\" title=\"Show all publications which have a relationship to this tag\">Characterization<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=258#tppubs\" title=\"Show all publications which have a relationship to this tag\">electrodes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203#tppubs\" title=\"Show all publications which have a relationship to this tag\">Modeling<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_371\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Owuor2019,<br \/>\r\ntitle = {Elastic and \u2018transparent bone\u2019 as an electrochemical separator},<br \/>\r\nauthor = {Peter Samora Owuor and Suchittra Inthong and Seyed Mohammad Sajadi and Pratthana Intawin and Alin C. Chipara and Cristiano F. Woellner and Farheen N. Sayed and Harvey H. Tsang and Anthony Stender and Robert Vajtai and Kamonpan Pengpat and Sukum Eitssayeam and Douglas S. Galvao and Jun Lou and Chandra Sekhar Tiwary and Pulickel M. Ajayan},<br \/>\r\nurl = {https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8636EFB32B8D1D71EEC9852E58D0729A622DAFDF86C3EE65DF2A33E77CE7534A5D66D3854C396F69D1A},<br \/>\r\ndoi = {10.1016\/j.mtchem.2018.12.009},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {Materials Chemistry Today},<br \/>\r\nvolume = {12},<br \/>\r\npages = {132-138},<br \/>\r\nabstract = {Organic matrix of bone mainly composed of collagen matrix serve as a crucial component for remarkable toughness and strength in bones. The porous collagen matrix can also serve as efficient template for various applications such as nanoparticles synthetic, catalysis or catalysis supports, electrochemical separator, filtration membrane and tissue engineering. However, fabricating collagen matrix from bones without degrading its morphological structure still remain a challenge. Here we present evidence of how ceramic crystals from a bone can be removed to fabricate a complete \u2018transparent bone\u2019 structure with improved porous and elasticity. We show that demineralization or selective etching using dilute acid (citric) can remove ceramics mineral nanoparticles without degrading the collagen matrix. The transparent bone collagen matrix is investigated as the separator in electrochemical supercapacitor with aqueous electrolyte where it shows better performance compared to conventional separators.},<br \/>\r\nkeywords = {biomaterials, Bone, Characterization, electrodes, Modeling, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('371','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_371\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Organic matrix of bone mainly composed of collagen matrix serve as a crucial component for remarkable toughness and strength in bones. The porous collagen matrix can also serve as efficient template for various applications such as nanoparticles synthetic, catalysis or catalysis supports, electrochemical separator, filtration membrane and tissue engineering. However, fabricating collagen matrix from bones without degrading its morphological structure still remain a challenge. Here we present evidence of how ceramic crystals from a bone can be removed to fabricate a complete \u2018transparent bone\u2019 structure with improved porous and elasticity. We show that demineralization or selective etching using dilute acid (citric) can remove ceramics mineral nanoparticles without degrading the collagen matrix. The transparent bone collagen matrix is investigated as the separator in electrochemical supercapacitor with aqueous electrolyte where it shows better performance compared to conventional separators.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('371','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_371\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8636EFB32B8D1D71EEC9852E58D0729A622DAFDF86C3EE65DF2A33E77CE7534A5D66D3854C396F69D1A\" title=\"https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8[...]\" target=\"_blank\">https:\/\/reader.elsevier.com\/reader\/sd\/pii\/S246851941830291X?token=B3C1F35B7DCEA8[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.mtchem.2018.12.009\" title=\"Follow DOI:10.1016\/j.mtchem.2018.12.009\" target=\"_blank\">doi:10.1016\/j.mtchem.2018.12.009<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('371','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">372.<\/div><div class=\"tp_pub_image_left\"><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">de Sousa, JM;  Aguiar, AL;  Girao, EC;  Fonseca, Alexandre F;  AG Filho, Souza;  Galvao, Douglas S<\/p><p class=\"tp_pub_title\">Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_386\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('386','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=206#tppubs\" title=\"Show all publications which have a relationship to this tag\">pentagraphene<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_386\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{deSousa2019,<br \/>\r\ntitle = {Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review)},<br \/>\r\nauthor = {de Sousa, JM and Aguiar, AL and Girao, EC and Fonseca, Alexandre F and AG Filho, Souza and Galvao, Douglas S},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\nkeywords = {Fracture, Molecular Dynamics, pentagraphene},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('386','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">371.<\/div><div class=\"tp_pub_image_left\"><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Ok-Kyung; Owuor Park, Peter; Morais Jaques<\/p><p class=\"tp_pub_title\">Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_400\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('400','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=28#tppubs\" title=\"Show all publications which have a relationship to this tag\">Boron Nitride<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=244#tppubs\" title=\"Show all publications which have a relationship to this tag\">carbon nanotube<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203#tppubs\" title=\"Show all publications which have a relationship to this tag\">Modeling<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_400\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Park2019,<br \/>\r\ntitle = {Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review)},<br \/>\r\nauthor = {Park, Ok-Kyung; Owuor, Peter; Morais Jaques, Ygor; Lee, Joong Hee; Kim, Nam<br \/>\r\nHoon; Galvao, Douglas; Lou, Jun; Tiwary, Chandra; Ajayan, Pulickel},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\nkeywords = {Boron Nitride, carbon nanotube, Modeling},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('400','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">370.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Strain induced structural deformation study of two dimensional MoxW(1-x)S2\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/01\/Screen-Shot-2019-01-05-at-14.40.01.png\" width=\"300\" alt=\"Strain induced structural deformation study of two dimensional MoxW(1-x)S2\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Susarla, Sandhya;  Manimunda, Praveena;  Jaques, Ygor M.;  Hachtel, Jordan A.;  Idrobo, Juan C.;  Asif, S. A. Syed;  Galvao, Douglas S.;  Tiwary, Chandrasekhar;  Ajayan, Pulickel M.<\/p><p class=\"tp_pub_title\">Strain induced structural deformation study of two dimensional MoxW(1-x)S2 <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Advanced Materials Interfaces (accepted), <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_422\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('422','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_422\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('422','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_422\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Susarla2019,<br \/>\r\ntitle = {Strain induced structural deformation study of two dimensional MoxW(1-x)S2},<br \/>\r\nauthor = {Sandhya Susarla and Praveena Manimunda and Ygor M. Jaques and Jordan A. Hachtel and Juan C. Idrobo and S. A. Syed Asif and Douglas S. Galvao and Chandrasekhar Tiwary and Pulickel M. Ajayan},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {Advanced Materials Interfaces (accepted)},<br \/>\r\nabstract = {The possibility of tuning properties and its potential applications in the fields of optoelectronics and\/or flexible electronics, has increased the demand for 2D alloys in recent times. Understanding the mechanical performance of 2D materials under extreme conditions, such as strain, stress and fracture is essential for the reliable electronic devices based on these structures. In this study, combined molecular dynamics (MD) simulations and in situ Raman spectroscopic techniques were used to study the mechanical performance of a 2D alloy system, MoxW(1-x) S2. It was observed that W substitution in MoS2 causes solid-solution strengthening and increase in the Young\u2019s modulus values. Higher W content decreased failure strain for MoS2.  Based on spatially resolved Raman spectroscopy and MD simulations results, we propose a detailed model to explain failure mechanisms in MoxW(1-x)S2 alloys. },<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('422','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_422\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The possibility of tuning properties and its potential applications in the fields of optoelectronics and\/or flexible electronics, has increased the demand for 2D alloys in recent times. Understanding the mechanical performance of 2D materials under extreme conditions, such as strain, stress and fracture is essential for the reliable electronic devices based on these structures. In this study, combined molecular dynamics (MD) simulations and in situ Raman spectroscopic techniques were used to study the mechanical performance of a 2D alloy system, MoxW(1-x) S2. It was observed that W substitution in MoS2 causes solid-solution strengthening and increase in the Young\u2019s modulus values. Higher W content decreased failure strain for MoS2.  Based on spatially resolved Raman spectroscopy and MD simulations results, we propose a detailed model to explain failure mechanisms in MoxW(1-x)S2 alloys. <\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('422','tp_abstract')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">369.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Self-tearing and self-peeling of folded graphene nanoribbons\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/11\/Screen-Shot-2018-11-08-at-08.56.29.png\" width=\"300\" alt=\"Self-tearing and self-peeling of folded graphene nanoribbons\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Fonseca, Alexandre F.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.11.020\" title=\"Self-tearing and self-peeling of folded graphene nanoribbons\" target=\"blank\">Self-tearing and self-peeling of folded graphene nanoribbons<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Carbon, <\/span><span class=\"tp_pub_additional_volume\">vol. 143, <\/span><span class=\"tp_pub_additional_pages\">pp. 230-239, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_423\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('423','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_423\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('423','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_423\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('423','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_423\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Fonseca2019,<br \/>\r\ntitle = {Self-tearing and self-peeling of folded graphene nanoribbons},<br \/>\r\nauthor = {Alexandre F. Fonseca and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431},<br \/>\r\ndoi = {10.1016\/j.carbon.2018.11.020},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {Carbon},<br \/>\r\nvolume = {143},<br \/>\r\npages = {230-239},<br \/>\r\nabstract = {A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene nanoribbons. As long as the size of the graphene flaps is above a threshold value, the \u201ctug of war\u201d between the forces of adhesion of graphene-graphene and graphene-substrate, flexural strain of folded region and carbon-carbon (C-C) covalent bonds favor the self-tearing and self-peeling off process. As the detailed information regarding the atomic scale mechanism involved in the process remains not fully understood, we carried out atomistic reactive molecular dynamics simulations to address some features of the process. We show that large thermal fluctuations can prevent the process by increasing the probability of chemical reactions between carbon dangling bonds of adjacent graphene layers. The effects of the strength of attraction between graphene and the substrate on the ribbon growth velocities at the early stages of the phenomenon were also investigated. Structures with initial armchair crack-edges were observed to form more uniform cuts than those having initial zigzag ones. Our results are of importance to help set up new experiments on this phenomenon, especially with samples with nanoscale sized cuts. },<br \/>\r\nkeywords = {Fracture, Graphene, Mechanical Properties, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('423','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_423\" style=\"display:none;\"><div class=\"tp_abstract_entry\">A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene nanoribbons. As long as the size of the graphene flaps is above a threshold value, the \u201ctug of war\u201d between the forces of adhesion of graphene-graphene and graphene-substrate, flexural strain of folded region and carbon-carbon (C-C) covalent bonds favor the self-tearing and self-peeling off process. As the detailed information regarding the atomic scale mechanism involved in the process remains not fully understood, we carried out atomistic reactive molecular dynamics simulations to address some features of the process. We show that large thermal fluctuations can prevent the process by increasing the probability of chemical reactions between carbon dangling bonds of adjacent graphene layers. The effects of the strength of attraction between graphene and the substrate on the ribbon growth velocities at the early stages of the phenomenon were also investigated. Structures with initial armchair crack-edges were observed to form more uniform cuts than those having initial zigzag ones. Our results are of importance to help set up new experiments on this phenomenon, especially with samples with nanoscale sized cuts. <\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('423','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_423\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318310431<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.11.020\" title=\"Follow DOI:10.1016\/j.carbon.2018.11.020\" target=\"_blank\">doi:10.1016\/j.carbon.2018.11.020<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('423','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">368.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/01\/Screen-Shot-2019-01-05-at-14.19.24.png\" width=\"300\" alt=\"Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Sean P; Perim Collins, Eric; Daff<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpcc.8b09447\" title=\"Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage\" target=\"blank\">Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">The Journal of Physical Chemistry C, <\/span><span class=\"tp_pub_additional_volume\">vol. 123, <\/span><span class=\"tp_pub_additional_pages\">pp. 1050-1058, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_427\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('427','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_427\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('427','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_427\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('427','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=243#tppubs\" title=\"Show all publications which have a relationship to this tag\">Gas Storage<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=72#tppubs\" title=\"Show all publications which have a relationship to this tag\">Monte Carlo<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=228#tppubs\" title=\"Show all publications which have a relationship to this tag\">Schwarzites<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=4#tppubs\" title=\"Show all publications which have a relationship to this tag\">Scrolls<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_427\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Collins2019,<br \/>\r\ntitle = {Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage},<br \/>\r\nauthor = {Collins, Sean P; Perim, Eric; Daff, Thomas D; Skaf, Munir S; Galvao, Douglas Soares; Woo, Tom K},<br \/>\r\nurl = {https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447},<br \/>\r\ndoi = {10.1021\/acs.jpcc.8b09447},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {The Journal of Physical Chemistry C},<br \/>\r\nvolume = {123},<br \/>\r\npages = {1050-1058},<br \/>\r\nabstract = {Materials for vehicular methane storage have been extensively studied, although no suitable material has been found. In this work, we use molecular simulation to investigate three types of carbon-based materials, Schwarzites, layered graphenes, and carbon nanoscrolls, for use in vehicular methane storage under adsorption conditions of 65 bar and 298 K and desorption conditions of 5.8 bar and 358 K. Ten different Schwarzites were tested and found to have high adsorption with maximums at 273 VSTP\/V, but middling deliverable capacities of no more than 131 VSTP\/V. Layered graphene and graphene nanoscrolls were found to have extremely high CH4 adsorption capacities of 355 and 339 VSTP\/V, respectively, when the interlayer distance was optimized to 11 \u00c5. The deliverable capacities of perfectly layered graphene and graphene nanoscrolls were also found to be exceptional with values of 266 and 252 VSTP\/V, respectively, with optimized interlayer distances. These values make idealized graphene and nanoscrolls the record holders for adsorption and deliverable capacities under vehicular methane storage conditions.},<br \/>\r\nkeywords = {Gas Storage, Molecular Dynamics, Monte Carlo, Schwarzites, Scrolls},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('427','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_427\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Materials for vehicular methane storage have been extensively studied, although no suitable material has been found. In this work, we use molecular simulation to investigate three types of carbon-based materials, Schwarzites, layered graphenes, and carbon nanoscrolls, for use in vehicular methane storage under adsorption conditions of 65 bar and 298 K and desorption conditions of 5.8 bar and 358 K. Ten different Schwarzites were tested and found to have high adsorption with maximums at 273 VSTP\/V, but middling deliverable capacities of no more than 131 VSTP\/V. Layered graphene and graphene nanoscrolls were found to have extremely high CH4 adsorption capacities of 355 and 339 VSTP\/V, respectively, when the interlayer distance was optimized to 11 \u00c5. The deliverable capacities of perfectly layered graphene and graphene nanoscrolls were also found to be exceptional with values of 266 and 252 VSTP\/V, respectively, with optimized interlayer distances. These values make idealized graphene and nanoscrolls the record holders for adsorption and deliverable capacities under vehicular methane storage conditions.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('427','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_427\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447\" title=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.8b09447<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpcc.8b09447\" title=\"Follow DOI:10.1021\/acs.jpcc.8b09447\" target=\"_blank\">doi:10.1021\/acs.jpcc.8b09447<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('427','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">367.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Mechanical Properties of Protomene: A Molecular Dynamics Investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/01\/Screen-Shot-2019-01-05-at-14.54.05.png\" width=\"300\" alt=\"Mechanical Properties of Protomene: A Molecular Dynamics Investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Eliezer F; Autreto Oliveira, Pedro AS; Woellner<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1557\/adv.2018.670\" title=\"Mechanical Properties of Protomene: A Molecular Dynamics Investigation\" target=\"blank\">Mechanical Properties of Protomene: A Molecular Dynamics Investigation<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_428\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('428','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_428\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('428','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_428\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('428','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=255#tppubs\" title=\"Show all publications which have a relationship to this tag\">protomene<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_428\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Oliveira2019,<br \/>\r\ntitle = {Mechanical Properties of Protomene: A Molecular Dynamics Investigation},<br \/>\r\nauthor = {Oliveira, Eliezer F; Autreto, Pedro AS; Woellner, Cristiano F; Galvao, Douglas S},<br \/>\r\nurl = {www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-protomene-a-molecular-dynamics-investigation\/CBAC89BDB5942E3353A5C00BD5D0D9CA},<br \/>\r\ndoi = {10.1557\/adv.2018.670},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-05},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nabstract = {Recently, a new class of carbon allotrope called protomene was proposed. This new structure is composed of sp2 and sp3 carbon-bonds. Topologically, protomene can be considered as an sp3 carbon structure (~80% of this bond type) doped by sp2 carbons. First-principles simulations have shown that protomene presents an electronic bandgap of ~3.4 eV. However, up to now, its mechanical properties have not been investigated. In this work, we have investigated protomene mechanical behavior under tensile strain through fully atomistic reactive molecular dynamics simulations using the ReaxFF force field, as available in the LAMMPS code. At room temperature, our results show that the protomene is very stable and the obtained ultimate strength and ultimate stress indicates an anisotropic behavior. The highest ultimate strength was obtained for the x-direction, with a value of ~110 GPa. As for the ultimate strain, the highest one was for the z-direction (~25% of strain) before protomene mechanical fracture.<br \/>\r\n},<br \/>\r\nkeywords = {Fracture, Mechanical Properties, Molecular Dynamics, protomene},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('428','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_428\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Recently, a new class of carbon allotrope called protomene was proposed. This new structure is composed of sp2 and sp3 carbon-bonds. Topologically, protomene can be considered as an sp3 carbon structure (~80% of this bond type) doped by sp2 carbons. First-principles simulations have shown that protomene presents an electronic bandgap of ~3.4 eV. However, up to now, its mechanical properties have not been investigated. In this work, we have investigated protomene mechanical behavior under tensile strain through fully atomistic reactive molecular dynamics simulations using the ReaxFF force field, as available in the LAMMPS code. At room temperature, our results show that the protomene is very stable and the obtained ultimate strength and ultimate stress indicates an anisotropic behavior. The highest ultimate strength was obtained for the x-direction, with a value of ~110 GPa. As for the ultimate strain, the highest one was for the z-direction (~25% of strain) before protomene mechanical fracture.<br \/>\r\n<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('428','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_428\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-protomene-a-molecular-dynamics-investigation\/CBAC89BDB5942E3353A5C00BD5D0D9CA\" title=\"www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-pr[...]\" target=\"_blank\">www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-pr[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1557\/adv.2018.670\" title=\"Follow DOI:10.1557\/adv.2018.670\" target=\"_blank\">doi:10.1557\/adv.2018.670<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('428','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">366.<\/div><div class=\"tp_pub_image_left\"><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Nakar, Dekel;  Gordeev, Georgy;  Machado, Leonardo D.;  Popovitz-Biro, Ronit;  Rechav, Katya;  Oliveira, Eliezer F.;  Kusch, Patryk;  Jorio, Ado;  Galvao, Douglas S.;  Reich, Stephanie;  Joselevich, Ernesto<\/p><p class=\"tp_pub_title\">Few-Wall Carbon Nanotube Coils (under review) <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_year\">2019<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_431\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('431','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=2#tppubs\" title=\"Show all publications which have a relationship to this tag\">Carbon Nanotubes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=245#tppubs\" title=\"Show all publications which have a relationship to this tag\">Nanocoils<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=179#tppubs\" title=\"Show all publications which have a relationship to this tag\">Raman<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_431\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Nakar2019,<br \/>\r\ntitle = {Few-Wall Carbon Nanotube Coils (under review)},<br \/>\r\nauthor = {Dekel Nakar and Georgy Gordeev and Leonardo D. Machado and Ronit Popovitz-Biro and Katya Rechav and Eliezer F. Oliveira and Patryk Kusch and Ado Jorio and Douglas S. Galvao and Stephanie Reich and Ernesto Joselevich},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\nkeywords = {Carbon Nanotubes, Molecular Dynamics, Nanocoils, Raman},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('431','tp_bibtex')\">Close<\/a><\/p><\/div><\/div><\/div><h3 class=\"tp_h3\" id=\"tp_h3_2018\">2018<\/h3><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">365.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Mechanical Properties of Protomene: A Molecular Dynamics Investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/11\/Screen-Shot-2018-11-15-at-12.54.45.png\" width=\"300\" alt=\"Mechanical Properties of Protomene: A Molecular Dynamics Investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Pedro AS Autreto Eliezer F Oliveira, Cristiano F Woellner<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/abs\/1810.09924\" title=\"https:\/\/arxiv.org\/abs\/1810.09924\" target=\"blank\">Mechanical Properties of Protomene: A Molecular Dynamics Investigation<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2018<\/span><span class=\"tp_pub_additional_note\">, (preprint arXiv:1810.09924v1 )<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_425\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('425','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_425\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('425','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_425\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('425','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=255#tppubs\" title=\"Show all publications which have a relationship to this tag\">protomene<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_425\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Oliveira2018g,<br \/>\r\ntitle = {Mechanical Properties of Protomene: A Molecular Dynamics Investigation},<br \/>\r\nauthor = {Eliezer F Oliveira, Pedro AS Autreto, Cristiano F Woellner, Douglas S Galvao},<br \/>\r\nurl = {https:\/\/arxiv.org\/abs\/1810.09924},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-10-23},<br \/>\r\nabstract = {Recently, a new class of carbon allotrope called protomene was proposed. This new structure is<br \/>\r\ncomposed of sp2 and sp3 carbon-bonds. Topologically, protomene can be considered as an sp3<br \/>\r\ncarbon structure (~80% of this bond type) doped by sp2 carbons. First-principles simulations<br \/>\r\nhave shown that protomene presents an electronic bandgap of ~3.4 eV. However, up to now,<br \/>\r\nits mechanical properties have not been investigated. In this work, we have investigated<br \/>\r\nprotomene mechanical behavior under tensile strain through fully atomistic reactive<br \/>\r\nmolecular dynamics simulations using the ReaxFF force field, as available in the LAMMPS<br \/>\r\ncode. At room temperature, our results show that the protomene is very stable and the<br \/>\r\nobtained ultimate strength and ultimate stress indicates an anisotropic behavior. The highest<br \/>\r\nultimate strength was obtained for the x-direction, with a value of ~110 GPa. As for the ultimate<br \/>\r\nstrain, the highest one was for the z-direction (~25% of strain) before protomene mechanical<br \/>\r\nfracture.},<br \/>\r\nnote = {preprint arXiv:1810.09924v1 },<br \/>\r\nkeywords = {Fracture, Mechanical Properties, Molecular Dynamics, protomene},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('425','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_425\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Recently, a new class of carbon allotrope called protomene was proposed. This new structure is<br \/>\r\ncomposed of sp2 and sp3 carbon-bonds. Topologically, protomene can be considered as an sp3<br \/>\r\ncarbon structure (~80% of this bond type) doped by sp2 carbons. First-principles simulations<br \/>\r\nhave shown that protomene presents an electronic bandgap of ~3.4 eV. However, up to now,<br \/>\r\nits mechanical properties have not been investigated. In this work, we have investigated<br \/>\r\nprotomene mechanical behavior under tensile strain through fully atomistic reactive<br \/>\r\nmolecular dynamics simulations using the ReaxFF force field, as available in the LAMMPS<br \/>\r\ncode. At room temperature, our results show that the protomene is very stable and the<br \/>\r\nobtained ultimate strength and ultimate stress indicates an anisotropic behavior. The highest<br \/>\r\nultimate strength was obtained for the x-direction, with a value of ~110 GPa. As for the ultimate<br \/>\r\nstrain, the highest one was for the z-direction (~25% of strain) before protomene mechanical<br \/>\r\nfracture.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('425','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_425\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-arxiv\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/abs\/1810.09924\" title=\"https:\/\/arxiv.org\/abs\/1810.09924\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1810.09924<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('425','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">364.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\" Self-tearing and self-peeling of folded graphene nanoribbons\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/11\/Screen-Shot-2018-11-15-at-13.07.56.png\" width=\"300\" alt=\" Self-tearing and self-peeling of folded graphene nanoribbons\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Alexandre F. Fonseca, Douglas S. Galvao<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/abs\/1808.08872\" title=\"https:\/\/arxiv.org\/abs\/1808.08872\" target=\"blank\"> Self-tearing and self-peeling of folded graphene nanoribbons<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2018<\/span><span class=\"tp_pub_additional_note\">, (preprint arXiv:1808.08872)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_426\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('426','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_426\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('426','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_426\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('426','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=256#tppubs\" title=\"Show all publications which have a relationship to this tag\">graphene nanoribbons<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_426\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Fonseca2018d,<br \/>\r\ntitle = { Self-tearing and self-peeling of folded graphene nanoribbons},<br \/>\r\nauthor = {Alexandre F. Fonseca, Douglas S. Galvao<br \/>\r\n},<br \/>\r\nurl = {https:\/\/arxiv.org\/abs\/1808.08872},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-08-27},<br \/>\r\nabstract = {A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene nanoribbons. As long as the size of the graphene flaps is above a threshold value, the 'tug of war' between the forces of adhesion of graphene-graphene and graphene-substrate, flexural strain of folded region and carbon-carbon (C-C) covalent bonds favor the self-tearing and self-peeling off process. As the detailed information regarding the atomic scale mechanism involved in the process remains not fully understood, we carried out atomistic reactive molecular dynamics simulations to address some features of the process. We show that large thermal fluctuations can prevent the process by increasing the probability of chemical reactions between carbon dangling bonds of adjacent graphene layers. The effects of the strength of attraction between graphene and the substrate on the ribbon growth velocities at the early stages of the phenomenon were also investigated. Structures with initial armchair crack-edges were observed to form more uniform cuts than those having initial zigzag ones. Our results are of importance to help set up new experiments on this phenomenon, especially with samples with nanoscale sized cuts.},<br \/>\r\nnote = {preprint arXiv:1808.08872},<br \/>\r\nkeywords = {Fracture, graphene nanoribbons, Mechanical Properties, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('426','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_426\" style=\"display:none;\"><div class=\"tp_abstract_entry\">A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene nanoribbons. As long as the size of the graphene flaps is above a threshold value, the 'tug of war' between the forces of adhesion of graphene-graphene and graphene-substrate, flexural strain of folded region and carbon-carbon (C-C) covalent bonds favor the self-tearing and self-peeling off process. As the detailed information regarding the atomic scale mechanism involved in the process remains not fully understood, we carried out atomistic reactive molecular dynamics simulations to address some features of the process. We show that large thermal fluctuations can prevent the process by increasing the probability of chemical reactions between carbon dangling bonds of adjacent graphene layers. The effects of the strength of attraction between graphene and the substrate on the ribbon growth velocities at the early stages of the phenomenon were also investigated. Structures with initial armchair crack-edges were observed to form more uniform cuts than those having initial zigzag ones. Our results are of importance to help set up new experiments on this phenomenon, especially with samples with nanoscale sized cuts.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('426','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_426\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-arxiv\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/abs\/1808.08872\" title=\"https:\/\/arxiv.org\/abs\/1808.08872\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1808.08872<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('426','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">363.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Underwater Adhesive using Solid\u2013liquid Polymer Mixes\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/08\/1-s2.0-S2468519418301423-fx1_lrg.jpg\" width=\"300\" alt=\"Underwater Adhesive using Solid\u2013liquid Polymer Mixes\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Chipara, A. C.;  Tsafack, T.;  Owuor, P. S.;  Yeon, J.;  Junkermeier, C. E.; van Duin, A. C. T.;  Bhowmick, S.;  Asif, S. A. S.;  Radhakrishnan, S.;  Park, J. H.;  Brunetto, G.;  Kaipparettu, B. A.;  Galv\u00e3o, D. S.;  Chipara, M.;  Lou, J.;  Tsang, H. H.;  Dubey, M.;  Vajtai, R.;  Tiwary, C. S.;  Ajayan, P. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1016\/j.mtchem.2018.07.002\" title=\"Underwater Adhesive using Solid\u2013liquid Polymer Mixes\" target=\"blank\">Underwater Adhesive using Solid\u2013liquid Polymer Mixes<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Materials Today Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 149-157, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_421\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('421','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_421\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('421','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_421\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('421','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=192#tppubs\" title=\"Show all publications which have a relationship to this tag\">Adhesives<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7#tppubs\" title=\"Show all publications which have a relationship to this tag\">DFT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=116#tppubs\" title=\"Show all publications which have a relationship to this tag\">Polymer<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_421\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Chipara2018,<br \/>\r\ntitle = {Underwater Adhesive using Solid\u2013liquid Polymer Mixes},<br \/>\r\nauthor = {A.C. Chipara and T. Tsafack and P.S. Owuor and J. Yeon and C.E. Junkermeier and A.C.T. van Duin and S. Bhowmick and S.A.S. Asif and S. Radhakrishnan and J.H. Park and G. Brunetto and B.A. Kaipparettu and D.S. Galv\u00e3o and M. Chipara and J. Lou and H.H. Tsang and M. Dubey and R. Vajtai and C.S. Tiwary and P.M. Ajayan},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S2468519418301423#appsec1},<br \/>\r\ndoi = {10.1016\/j.mtchem.2018.07.002},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-08-08},<br \/>\r\njournal = {Materials Today Chemistry},<br \/>\r\nvolume = {9},<br \/>\r\npages = {149-157},<br \/>\r\nabstract = {Instantaneous adhesion between different materials is a requirement for several applications ranging from electronics to biomedicine. Approaches such as surface patterning, chemical cross-linking, surface modification, and chemical synthesis have been adopted to generate temporary adhesion between various materials and surfaces. Because of the lack of curing times, temporary adhesives are instantaneous, a useful property for specific applications that need quick bonding. However, to this day, temporary adhesives have been mainly demonstrated under dry conditions and do not work well in submerged or humid environments. Furthermore, most rely on chemical bonds resulting from strong interactions with the substrate such as acrylate based. This work demonstrates the synthesis of a universal amphibious adhesive solely by combining solid polytetrafluoroethylene (PTFE) and liquid polydimethylsiloxane (PDMS) polymers. While the dipole-dipole interactions are induced by a large electronegativity difference between fluorine atoms in PTFE and hydrogen atoms in PDMS, strong surface wetting allows the proposed adhesive to fully coat both substrates and PTFE particles, thereby maximizing the interfacial chemistry. The two-phase solid\u2013liquid polymer system displays adhesive characteristics applicable both in air and water, and enables joining of a wide range of similar and dissimilar materials (glasses, metals, ceramics, papers, and biomaterials). The adhesive exhibits excellent mechanical properties for the joints between various surfaces as observed in lap shear testing, T-peel testing, and tensile testing. The proposed biocompatible adhesive can also be reused multiple times in different dry and wet environments. Additionally, we have developed a new reactive force field parameterization and used it in our molecular dynamics simulations to validate the adhesive nature of the mixed polymer system with different surfaces. This simple amphibious adhesive could meet the need for a universal glue that performs well with a number of materials for a wide range of conditions.},<br \/>\r\nkeywords = {Adhesives, DFT, Molecular Dynamics, Polymer},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('421','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_421\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Instantaneous adhesion between different materials is a requirement for several applications ranging from electronics to biomedicine. Approaches such as surface patterning, chemical cross-linking, surface modification, and chemical synthesis have been adopted to generate temporary adhesion between various materials and surfaces. Because of the lack of curing times, temporary adhesives are instantaneous, a useful property for specific applications that need quick bonding. However, to this day, temporary adhesives have been mainly demonstrated under dry conditions and do not work well in submerged or humid environments. Furthermore, most rely on chemical bonds resulting from strong interactions with the substrate such as acrylate based. This work demonstrates the synthesis of a universal amphibious adhesive solely by combining solid polytetrafluoroethylene (PTFE) and liquid polydimethylsiloxane (PDMS) polymers. While the dipole-dipole interactions are induced by a large electronegativity difference between fluorine atoms in PTFE and hydrogen atoms in PDMS, strong surface wetting allows the proposed adhesive to fully coat both substrates and PTFE particles, thereby maximizing the interfacial chemistry. The two-phase solid\u2013liquid polymer system displays adhesive characteristics applicable both in air and water, and enables joining of a wide range of similar and dissimilar materials (glasses, metals, ceramics, papers, and biomaterials). The adhesive exhibits excellent mechanical properties for the joints between various surfaces as observed in lap shear testing, T-peel testing, and tensile testing. The proposed biocompatible adhesive can also be reused multiple times in different dry and wet environments. Additionally, we have developed a new reactive force field parameterization and used it in our molecular dynamics simulations to validate the adhesive nature of the mixed polymer system with different surfaces. This simple amphibious adhesive could meet the need for a universal glue that performs well with a number of materials for a wide range of conditions.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('421','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_421\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S2468519418301423#appsec1\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S2468519418301423#appsec1\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S2468519418301423#appsec1<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.mtchem.2018.07.002\" title=\"Follow DOI:10.1016\/j.mtchem.2018.07.002\" target=\"_blank\">doi:10.1016\/j.mtchem.2018.07.002<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('421','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">362.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-21-at-17.23.05.png\" width=\"300\" alt=\"On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Oliveira, Eliezer F.;  Autreto, Pedro A. S.;  Woellner, Cristiano F.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.07.038\" title=\"On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation\" target=\"blank\">On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Carbon, <\/span><span class=\"tp_pub_additional_volume\">vol. 139, <\/span><span class=\"tp_pub_additional_pages\">pp. 782-788, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_417\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('417','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_417\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('417','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_417\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('417','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=251#tppubs\" title=\"Show all publications which have a relationship to this tag\">carbon allotropes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7#tppubs\" title=\"Show all publications which have a relationship to this tag\">DFT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=250#tppubs\" title=\"Show all publications which have a relationship to this tag\">novamenes<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_417\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Oliveira2018e,<br \/>\r\ntitle = {On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation},<br \/>\r\nauthor = {Eliezer F. Oliveira and Pedro A. S. Autreto and Cristiano F. Woellner and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318306882?via%3Dihub#appsec1},<br \/>\r\ndoi = {10.1016\/j.carbon.2018.07.038},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-07-19},<br \/>\r\njournal = {Carbon},<br \/>\r\nvolume = {139},<br \/>\r\npages = {782-788},<br \/>\r\nabstract = {We have investigated through fully atomistic reactive molecular dynamics and density functional theory simulations, the mechanical properties and fracture dynamics of single-ringed novamene (1R-novamene), a new 3D carbon allotrope structure recently proposed. Our results showed that 1R-novamene is an anisotropic structure with relation to tensile deformation. Although 1R-novamente shares some mechanical features with other carbon allotropes, it also exhibits distinct ones, such as, extensive structural reconstructions. 1R-novamene presents ultimate strength (\u223c100\u202fGPa) values lower than other carbon allotropes, but it has the highest ultimate strain along the z-direction (\u223c22.5%). Although the Young's modulus (\u223c600\u202fGPa) and ultimate strength values are smaller than for other carbon allotropes, they still outperform other materials, such as for example silicon, steel or titanium alloys. With relation to the fracture dynamics, 1R-novamene is again anisotropic with the fracture\/crack propagation originating from deformed heptagons and pentagons for x and y directions and broken sp3 bonds connecting structural planes. Another interesting feature is the formation of multiple and long carbon linear chains in the final fracture stages.},<br \/>\r\nkeywords = {carbon allotropes, DFT, Molecular Dynamics, novamenes},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('417','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_417\" style=\"display:none;\"><div class=\"tp_abstract_entry\">We have investigated through fully atomistic reactive molecular dynamics and density functional theory simulations, the mechanical properties and fracture dynamics of single-ringed novamene (1R-novamene), a new 3D carbon allotrope structure recently proposed. Our results showed that 1R-novamene is an anisotropic structure with relation to tensile deformation. Although 1R-novamente shares some mechanical features with other carbon allotropes, it also exhibits distinct ones, such as, extensive structural reconstructions. 1R-novamene presents ultimate strength (\u223c100\u202fGPa) values lower than other carbon allotropes, but it has the highest ultimate strain along the z-direction (\u223c22.5%). Although the Young's modulus (\u223c600\u202fGPa) and ultimate strength values are smaller than for other carbon allotropes, they still outperform other materials, such as for example silicon, steel or titanium alloys. With relation to the fracture dynamics, 1R-novamene is again anisotropic with the fracture\/crack propagation originating from deformed heptagons and pentagons for x and y directions and broken sp3 bonds connecting structural planes. Another interesting feature is the formation of multiple and long carbon linear chains in the final fracture stages.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('417','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_417\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318306882?via%3Dihub#appsec1\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318306882?via%3Dihub#a[...]\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318306882?via%3Dihub#a[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.carbon.2018.07.038\" title=\"Follow DOI:10.1016\/j.carbon.2018.07.038\" target=\"_blank\">doi:10.1016\/j.carbon.2018.07.038<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('417','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">361.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2019\/02\/ao-2018-00707y_0005.gif\" width=\"300\" alt=\"Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gautam, Chandkiram;  Chakravarty, Dibyendu;  Woellner, Cristiano F.;  Mishra, Vijay Kumar;  Ahamad, Naseer;  Gautam, Amarendra;  Ozden, Sehmus;  Jose, Sujin;  Biradar, Santosh Kumar;  Vajtai, Robert;  Trivedi, Ritu;  Tiwary, Chandra Sekhar;  Galvao, Douglas S.;  Ajayan, P. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1021\/acsomega.8b00707\" title=\"Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications\" target=\"blank\">Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">ACS Omega, <\/span><span class=\"tp_pub_additional_volume\">vol. 3, <\/span><span class=\"tp_pub_additional_number\">no. 6, <\/span><span class=\"tp_pub_additional_pages\">pp. 6013\u20136021, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_374\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('374','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_374\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('374','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_374\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('374','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=67#tppubs\" title=\"Show all publications which have a relationship to this tag\">BN<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=220#tppubs\" title=\"Show all publications which have a relationship to this tag\">Composites<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=232#tppubs\" title=\"Show all publications which have a relationship to this tag\">sintering<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_374\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gautam2018,<br \/>\r\ntitle = {Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications},<br \/>\r\nauthor = {Chandkiram Gautam and Dibyendu Chakravarty and Cristiano F. Woellner and Vijay Kumar Mishra and Naseer Ahamad and Amarendra Gautam and Sehmus Ozden and Sujin Jose and Santosh Kumar Biradar and Robert Vajtai and Ritu Trivedi and Chandra Sekhar Tiwary and Douglas S. Galvao and P.M. Ajayan},<br \/>\r\nurl = {https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acsomega.8b00707},<br \/>\r\ndoi = {10.1021\/acsomega.8b00707},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-06-05},<br \/>\r\njournal = {ACS Omega},<br \/>\r\nvolume = {3},<br \/>\r\nnumber = {6},<br \/>\r\npages = {6013\u20136021},<br \/>\r\nabstract = {Recent advances and demands in biomedical applications drive a large amount of research to synthesize easily scalable low-density, high-strength, and wear-resistant biomaterials. The chemical inertness with low density combined with high strength makes h-BN one of the promising materials for such application. In this work, three-dimensional hexagonal boron nitride (h-BN) interconnected with boron trioxide (B2O3) was prepared by easily scalable and energy efficient spark plasma sintering (SPS) process. The composite structure shows significant densification (1.6\u20131.9 g\/cm3) and high surface area (0.97\u201314.5 m2\/g) at an extremely low SPS temperature of 250 \u00b0C. A high compressive strength of 291 MPa with a reasonably good wear resistance was obtained for the composite structure. The formation of strong covalent bonds between h-BN and B2O3 was formulated and established by molecular dynamics simulation. The composite showed significant effect on cell viability\/proliferation. It shows a high mineralized nodule formation over the control, which suggests its use as a possible osteogenic agent in bone formation.},<br \/>\r\nkeywords = {BN, Composites, Molecular Dynamics, sintering},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('374','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_374\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Recent advances and demands in biomedical applications drive a large amount of research to synthesize easily scalable low-density, high-strength, and wear-resistant biomaterials. The chemical inertness with low density combined with high strength makes h-BN one of the promising materials for such application. In this work, three-dimensional hexagonal boron nitride (h-BN) interconnected with boron trioxide (B2O3) was prepared by easily scalable and energy efficient spark plasma sintering (SPS) process. The composite structure shows significant densification (1.6\u20131.9 g\/cm3) and high surface area (0.97\u201314.5 m2\/g) at an extremely low SPS temperature of 250 \u00b0C. A high compressive strength of 291 MPa with a reasonably good wear resistance was obtained for the composite structure. The formation of strong covalent bonds between h-BN and B2O3 was formulated and established by molecular dynamics simulation. The composite showed significant effect on cell viability\/proliferation. It shows a high mineralized nodule formation over the control, which suggests its use as a possible osteogenic agent in bone formation.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('374','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_374\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acsomega.8b00707\" title=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acsomega.8b00707\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acsomega.8b00707<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acsomega.8b00707\" title=\"Follow DOI:10.1021\/acsomega.8b00707\" target=\"_blank\">doi:10.1021\/acsomega.8b00707<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('374','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">360.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Exfoliation of a non-van der Waals material from iron ore hematite\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/05\/Screen-Shot-2018-05-08-at-13.37.16.png\" width=\"300\" alt=\"Exfoliation of a non-van der Waals material from iron ore hematite\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Balan, Aravind Puthirath;  Radhakrishnan, Sruthi;  Woellner, Cristiano F.;  Sinha, Shyam K.;  Deng, Liangzi; de los Reyes, Carlos;  Rao, Manmadha;  Paulose, Maggie;  Neupane, Ram;  Vajtai, Robert;  Chu, Ching-Wu;  Costin, Gelu;  Galvao, Douglas S.;  Marti, Angel A.; van Aken, Peter;  Varghese, Oomman K;  Tiwary, Chandra Sekhar;  Anantharaman, M R;  Ajayan, Pulickel M<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/www.nature.com\/articles\/s41565-018-0134-y\" title=\"https:\/\/www.nature.com\/articles\/s41565-018-0134-y\" target=\"blank\">Exfoliation of a non-van der Waals material from iron ore hematite<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Nature Nanotechnology, <\/span><span class=\"tp_pub_additional_volume\">vol. 13, <\/span><span class=\"tp_pub_additional_pages\">pp. 602\u2013610, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_369\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('369','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_369\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('369','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_369\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('369','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7#tppubs\" title=\"Show all publications which have a relationship to this tag\">DFT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=252#tppubs\" title=\"Show all publications which have a relationship to this tag\">Hematene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=226#tppubs\" title=\"Show all publications which have a relationship to this tag\">van der Waals solids<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_369\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Balan2018,<br \/>\r\ntitle = {Exfoliation of a non-van der Waals material from iron ore hematite},<br \/>\r\nauthor = {Aravind Puthirath Balan and Sruthi Radhakrishnan and Cristiano F. Woellner and Shyam K. Sinha and Liangzi Deng and Carlos de los Reyes and Manmadha Rao and Maggie Paulose and Ram Neupane and Robert Vajtai and Ching-Wu Chu and Gelu Costin and Douglas S. Galvao and Angel A. Marti and Peter van Aken and Oomman K Varghese and Chandra Sekhar Tiwary and M R Anantharaman and Pulickel M Ajayan<br \/>\r\n},<br \/>\r\nurl = {https:\/\/www.nature.com\/articles\/s41565-018-0134-y},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-05-07},<br \/>\r\njournal = {Nature Nanotechnology},<br \/>\r\nvolume = {13},<br \/>\r\npages = {602--610},<br \/>\r\nabstract = {With the advent of graphene, the most studied of all two-dimensional materials, many inorganic analogues have been synthesized and are being exploited for novel applications. Several approaches have been used to obtain large-grain, high-quality materials. Naturally occurring ores, for example, are the best precursors for obtaining highly ordered and large-grain atomic layers by exfoliation. Here, we demonstrate a new two-dimensional material \u2018hematene\u2019 obtained from natural iron ore hematite (\u03b1-Fe2O3), which is isolated by means of liquid exfoliation. The two-dimensional morphology of hematene is confirmed by transmission electron microscopy. Magnetic measurements together with density functional theory calculations confirm the ferromagnetic order in hematene while its parent form exhibits antiferromagnetic order. When loaded on titania nanotube arrays, hematene exhibits enhanced visible light photocatalytic activity. Our study indicates that photogenerated electrons can be transferred from hematene to titania despite a band alignment unfavourable for charge transfer.},<br \/>\r\nkeywords = {DFT, Hematene, Molecular Dynamics, van der Waals solids},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('369','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_369\" style=\"display:none;\"><div class=\"tp_abstract_entry\">With the advent of graphene, the most studied of all two-dimensional materials, many inorganic analogues have been synthesized and are being exploited for novel applications. Several approaches have been used to obtain large-grain, high-quality materials. Naturally occurring ores, for example, are the best precursors for obtaining highly ordered and large-grain atomic layers by exfoliation. Here, we demonstrate a new two-dimensional material \u2018hematene\u2019 obtained from natural iron ore hematite (\u03b1-Fe2O3), which is isolated by means of liquid exfoliation. The two-dimensional morphology of hematene is confirmed by transmission electron microscopy. Magnetic measurements together with density functional theory calculations confirm the ferromagnetic order in hematene while its parent form exhibits antiferromagnetic order. When loaded on titania nanotube arrays, hematene exhibits enhanced visible light photocatalytic activity. Our study indicates that photogenerated electrons can be transferred from hematene to titania despite a band alignment unfavourable for charge transfer.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('369','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_369\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.nature.com\/articles\/s41565-018-0134-y\" title=\"https:\/\/www.nature.com\/articles\/s41565-018-0134-y\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41565-018-0134-y<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('369','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">359.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Scale Effects on the Ballistic Penetration of Graphene Sheets\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-11-at-14.03.00.png\" width=\"300\" alt=\"Scale Effects on the Ballistic Penetration of Graphene Sheets\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Bizao, Rafael A;  Machado, Leonardo D; de Sousa, Jose M;  Pugno, Nicola M;  Galvao, Douglas S<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/doi:10.1038\/s41598-018-25050-2\" title=\"Scale Effects on the Ballistic Penetration of Graphene Sheets\" target=\"blank\">Scale Effects on the Ballistic Penetration of Graphene Sheets<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Nature Scientific Reports, <\/span><span class=\"tp_pub_additional_volume\">vol. 8, <\/span><span class=\"tp_pub_additional_pages\">pp. 6750, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_385\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('385','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_385\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('385','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_385\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('385','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=236#tppubs\" title=\"Show all publications which have a relationship to this tag\">impact<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_385\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Bizao2018,<br \/>\r\ntitle = {Scale Effects on the Ballistic Penetration of Graphene Sheets},<br \/>\r\nauthor = {Bizao, Rafael A and Machado, Leonardo D and de Sousa, Jose M and Pugno, Nicola M and Galvao, Douglas S},<br \/>\r\nurl = {https:\/\/www.nature.com\/articles\/s41598-018-25050-2},<br \/>\r\ndoi = {doi:10.1038\/s41598-018-25050-2},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-04-30},<br \/>\r\njournal = {Nature Scientific Reports},<br \/>\r\nvolume = {8},<br \/>\r\npages = {6750},<br \/>\r\nabstract = {Carbon nanostructures are promising ballistic protection materials, due to their low density and excellent mechanical properties. Recent experimental and computational investigations on the behavior of graphene under impact conditions revealed exceptional energy absorption properties as well. However, the reported numerical and experimental values differ by an order of magnitude. In this work, we combined numerical and analytical modeling to address this issue. In the numerical part, we employed reactive molecular dynamics to carry out ballistic tests on single, double, and triple-layered graphene sheets. We used velocity values within the range tested in experiments. Our numerical and the experimental results were used to determine parameters for a scaling law. We find that the specific penetration energy decreases as the number of layers (N) increases, from \u223c15 MJ\/kg for N = 1 to \u223c0.9 MJ\/kg for N = 350, for an impact velocity of 900 m\/s. These values are in good agreement with simulations and experiments, within the entire range of N values for which data is presently available. Scale effects explain the apparent discrepancy between simulations and experiments.},<br \/>\r\nkeywords = {Fracture, Graphene, impact, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('385','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_385\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Carbon nanostructures are promising ballistic protection materials, due to their low density and excellent mechanical properties. Recent experimental and computational investigations on the behavior of graphene under impact conditions revealed exceptional energy absorption properties as well. However, the reported numerical and experimental values differ by an order of magnitude. In this work, we combined numerical and analytical modeling to address this issue. In the numerical part, we employed reactive molecular dynamics to carry out ballistic tests on single, double, and triple-layered graphene sheets. We used velocity values within the range tested in experiments. Our numerical and the experimental results were used to determine parameters for a scaling law. We find that the specific penetration energy decreases as the number of layers (N) increases, from \u223c15 MJ\/kg for N = 1 to \u223c0.9 MJ\/kg for N = 350, for an impact velocity of 900 m\/s. These values are in good agreement with simulations and experiments, within the entire range of N values for which data is presently available. Scale effects explain the apparent discrepancy between simulations and experiments.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('385','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_385\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.nature.com\/articles\/s41598-018-25050-2\" title=\"https:\/\/www.nature.com\/articles\/s41598-018-25050-2\" target=\"_blank\">https:\/\/www.nature.com\/articles\/s41598-018-25050-2<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/doi:10.1038\/s41598-018-25050-2\" title=\"Follow DOI:doi:10.1038\/s41598-018-25050-2\" target=\"_blank\">doi:doi:10.1038\/s41598-018-25050-2<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('385','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">358.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Structural Properties of Nanodroplets Impacting Graphene at High Velocities\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-24-at-13.04.41.png\" width=\"300\" alt=\"Structural Properties of Nanodroplets Impacting Graphene at High Velocities\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Ygor M.; Galvao Jaques, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/abs\/1804.07784\" title=\"https:\/\/arxiv.org\/abs\/1804.07784\" target=\"blank\">Structural Properties of Nanodroplets Impacting Graphene at High Velocities<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2018<\/span><span class=\"tp_pub_additional_note\">, (Preprint ArXiv:1804.07784)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_419\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('419','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_419\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('419','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_419\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('419','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=249#tppubs\" title=\"Show all publications which have a relationship to this tag\">droplets<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=198#tppubs\" title=\"Show all publications which have a relationship to this tag\">Impact Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=207#tppubs\" title=\"Show all publications which have a relationship to this tag\">water<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_419\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Jaques2018d,<br \/>\r\ntitle = {Structural Properties of Nanodroplets Impacting Graphene at High Velocities},<br \/>\r\nauthor = {Jaques, Ygor M.; Galvao, Douglas S.},<br \/>\r\nurl = {https:\/\/arxiv.org\/abs\/1804.07784},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-04-24},<br \/>\r\nabstract = {We report here a fully atomistic molecular dynamics study on the dynamics of impact of water<br \/>\r\nnanodroplets (50, 100 and 120 \u00c5 of diameter) at high velocity (from 100 up to 1000 m\/s) against<br \/>\r\ngraphene targets. Our results show that tuning graphene wettability (through parameter changes)<br \/>\r\nsignificantly affects the structural and dynamical aspects of the nanodroplets. We identified three<br \/>\r\nranges of velocities with distinct characteristics, from simple deposition of the droplet to<br \/>\r\nspreading with rebound and finally fragmentation. At Weber numbers lower than 10, the droplets<br \/>\r\nmaintain a steady spreading factor independent of size. After this threshold value, the spread<br \/>\r\nrapidly grows with increasing Weber numbers. A more hydrophilic graphene surface increases<br \/>\r\nthe spreading values, due to stronger solid-liquid interactions. Nevertheless, droplet size also<br \/>\r\ninfluences the fragmentation threshold, as an increased number of molecules make it easier for<br \/>\r\nthe whole droplet overcomes the surface repulsion. },<br \/>\r\nnote = {Preprint ArXiv:1804.07784},<br \/>\r\nkeywords = {droplets, Graphene, Impact Molecular Dynamics, water},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('419','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_419\" style=\"display:none;\"><div class=\"tp_abstract_entry\">We report here a fully atomistic molecular dynamics study on the dynamics of impact of water<br \/>\r\nnanodroplets (50, 100 and 120 \u00c5 of diameter) at high velocity (from 100 up to 1000 m\/s) against<br \/>\r\ngraphene targets. Our results show that tuning graphene wettability (through parameter changes)<br \/>\r\nsignificantly affects the structural and dynamical aspects of the nanodroplets. We identified three<br \/>\r\nranges of velocities with distinct characteristics, from simple deposition of the droplet to<br \/>\r\nspreading with rebound and finally fragmentation. At Weber numbers lower than 10, the droplets<br \/>\r\nmaintain a steady spreading factor independent of size. After this threshold value, the spread<br \/>\r\nrapidly grows with increasing Weber numbers. A more hydrophilic graphene surface increases<br \/>\r\nthe spreading values, due to stronger solid-liquid interactions. Nevertheless, droplet size also<br \/>\r\ninfluences the fragmentation threshold, as an increased number of molecules make it easier for<br \/>\r\nthe whole droplet overcomes the surface repulsion. <\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('419','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_419\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-arxiv\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/abs\/1804.07784\" title=\"https:\/\/arxiv.org\/abs\/1804.07784\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1804.07784<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('419','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">357.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Liquid Exfoliation of Icosahedral Quasicrystals\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-25-at-20.06.35.png\" width=\"300\" alt=\"Liquid Exfoliation of Icosahedral Quasicrystals\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Thakur P.; Woellner Yadav, Cristiano F. ; Sinha<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/DOI: 10.1002\/adfm.201801181\" title=\"Liquid Exfoliation of Icosahedral Quasicrystals\" target=\"blank\">Liquid Exfoliation of Icosahedral Quasicrystals<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Advanced Functional Materials, <\/span><span class=\"tp_pub_additional_volume\">vol. 2018, <\/span><span class=\"tp_pub_additional_pages\">pp. 1801181, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_420\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('420','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_420\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('420','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_420\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('420','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=248#tppubs\" title=\"Show all publications which have a relationship to this tag\">catalysis<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203#tppubs\" title=\"Show all publications which have a relationship to this tag\">Modeling<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=247#tppubs\" title=\"Show all publications which have a relationship to this tag\">quasi-crystals<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_420\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Yadav2018b,<br \/>\r\ntitle = {Liquid Exfoliation of Icosahedral Quasicrystals},<br \/>\r\nauthor = {Yadav, Thakur P.; Woellner, Cristiano F.; Sinha, Shyam K.; Sharifi, Tiva; Apte, Amey; Mukhopadhyay, Nilay K.; Srivastava, Onkar N.; Vajtai, Robert; Galvao, Douglas S.; Tiwary, Chandra S.; Ajayan, Pulickel M.},<br \/>\r\nurl = {https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/adfm.201801181?campaign=wolearlyview},<br \/>\r\ndoi = {DOI: 10.1002\/adfm.201801181},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-04-24},<br \/>\r\njournal = {Advanced Functional Materials},<br \/>\r\nvolume = {2018},<br \/>\r\npages = {1801181},<br \/>\r\nabstract = {The realization of quasicrystals has attracted a considerable attention due to their unusual structures and properties. The concept of quasicrystals in the atomically thin materials is even more appealing due to the in-plane cova-lent bonds and weak interlayer interactions. Here, it is demonstrated that 2D quasicrystals can be created\/isolated from bulk phases because of long-range interlayer ordered aperiodic arrangements. An ultrasonication-assisted exfolia-tion of polygrained icosahedral Al\u2013Pd\u2013Mn quasicrystals at room temperature shows the formation of a large area of mono- and few layers in threefold qua-sicrystalline plane. The formation of these layers from random grain orientation consistently indicates that the threefold plane is most stable in comparison to the twofold and \ufb01vefold planes in icosahedral clusters. The above experimental observations are further supported with help of theoretical simulations. The mono- and few-layered aperiodic planes render plentiful active sites for the catalysis of hydrogen evolution reaction. The threefold 2D quasicrystalline plane exhibits a hydrogen evolution reaction overpotential of \u2248100 mV (160 times less than bulk counterpart) and long-term durability. These systems constitute the \ufb01rst demonstration of quasicrystalline monolayer ordering in a free-standing thin layer without requiring the support of periodic or aperiodic substrate.},<br \/>\r\nkeywords = {catalysis, Modeling, quasi-crystals},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('420','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_420\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The realization of quasicrystals has attracted a considerable attention due to their unusual structures and properties. The concept of quasicrystals in the atomically thin materials is even more appealing due to the in-plane cova-lent bonds and weak interlayer interactions. Here, it is demonstrated that 2D quasicrystals can be created\/isolated from bulk phases because of long-range interlayer ordered aperiodic arrangements. An ultrasonication-assisted exfolia-tion of polygrained icosahedral Al\u2013Pd\u2013Mn quasicrystals at room temperature shows the formation of a large area of mono- and few layers in threefold qua-sicrystalline plane. The formation of these layers from random grain orientation consistently indicates that the threefold plane is most stable in comparison to the twofold and \ufb01vefold planes in icosahedral clusters. The above experimental observations are further supported with help of theoretical simulations. The mono- and few-layered aperiodic planes render plentiful active sites for the catalysis of hydrogen evolution reaction. The threefold 2D quasicrystalline plane exhibits a hydrogen evolution reaction overpotential of \u2248100 mV (160 times less than bulk counterpart) and long-term durability. These systems constitute the \ufb01rst demonstration of quasicrystalline monolayer ordering in a free-standing thin layer without requiring the support of periodic or aperiodic substrate.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('420','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_420\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/adfm.201801181?campaign=wolearlyview\" title=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/adfm.201801181?campaign=wolearly[...]\" target=\"_blank\">https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/adfm.201801181?campaign=wolearly[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/DOI: 10.1002\/adfm.201801181\" title=\"Follow DOI:DOI: 10.1002\/adfm.201801181\" target=\"_blank\">doi:DOI: 10.1002\/adfm.201801181<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('420','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">356.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-24-at-10.46.04.png\" width=\"300\" alt=\"Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Marco AE Maria Celina M Miyazaki, Daiane Damasceno Borges<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1\" title=\"Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt\" target=\"blank\">Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Materials Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 53, <\/span><span class=\"tp_pub_additional_number\">no. 14, <\/span><span class=\"tp_pub_additional_pages\">pp. 10049-10056, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_384\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('384','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_384\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('384','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_384\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('384','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=193#tppubs\" title=\"Show all publications which have a relationship to this tag\">Polymers<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_384\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Miyazaki2018,<br \/>\r\ntitle = {Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt},<br \/>\r\nauthor = {Celina M Miyazaki, Marco AE Maria, Daiane Damasceno Borges, Cristiano F Woellner, Gustavo Brunetto, Alexandre F Fonseca, Carlos JL Constantino, Marcelo A Pereira-da-Silva, Abner de Siervo, Douglas S Galvao, Antonio Riul Jr},<br \/>\r\nurl = {https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1},<br \/>\r\ndoi = {https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-04-19},<br \/>\r\njournal = {Journal of Materials Science},<br \/>\r\nvolume = {53},<br \/>\r\nnumber = {14},<br \/>\r\npages = {10049-10056},<br \/>\r\nabstract = {The production of large-area interfaces and the use of scalable methods to build up<br \/>\r\ndesigned nanostructures generating advanced functional properties are of high<br \/>\r\ninterest for many materials science applications. Nevertheless, large-area coverage<br \/>\r\nremains a major problem even for pristine graphene, and here we present a hybrid,<br \/>\r\ncomposite graphene-like material soluble in water that can be exploited in many<br \/>\r\nareas such as energy storage, electrodes fabrication, selective membranes and<br \/>\r\nbiosensing. Graphene oxide (GO) was produced by the traditional Hummers\u2019<br \/>\r\nmethod being further reduced in the presence of poly(styrene sulfonate) sodium salt<br \/>\r\n(PSS), thus creating stable reduced graphene oxide (rGO) nanoplatelets wrapped by<br \/>\r\nPSS (GPSS). Molecular dynamics simulations were carried out to further clarify the<br \/>\r\ninteractions between PSS molecules and rGO nanoplatelets, with calculations<br \/>\r\nsupported by Fourier transform infrared spectroscopy analysis. The intermolecular<br \/>\r\nforces between rGO nanoplatelets and PSS lead to the formation of a hybrid material<br \/>\r\n(GPSS) stabilized by van der Waals forces, allowing the fabrication of high-quality<br \/>\r\nlayer-by-layer (LbL) films with poly(allylamine hydrochloride) (PAH). Raman and<br \/>\r\nelectrical characterizations corroborated the successful modifications in the electronic<br \/>\r\nstructures from GO to GPSS after the chemical treatment, resulting in (PAH\/<br \/>\r\nGPSS) LbL films four orders of magnitude more conductive than (PAH\/GO).},<br \/>\r\nkeywords = {Molecular Dynamics, Polymers},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('384','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_384\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The production of large-area interfaces and the use of scalable methods to build up<br \/>\r\ndesigned nanostructures generating advanced functional properties are of high<br \/>\r\ninterest for many materials science applications. Nevertheless, large-area coverage<br \/>\r\nremains a major problem even for pristine graphene, and here we present a hybrid,<br \/>\r\ncomposite graphene-like material soluble in water that can be exploited in many<br \/>\r\nareas such as energy storage, electrodes fabrication, selective membranes and<br \/>\r\nbiosensing. Graphene oxide (GO) was produced by the traditional Hummers\u2019<br \/>\r\nmethod being further reduced in the presence of poly(styrene sulfonate) sodium salt<br \/>\r\n(PSS), thus creating stable reduced graphene oxide (rGO) nanoplatelets wrapped by<br \/>\r\nPSS (GPSS). Molecular dynamics simulations were carried out to further clarify the<br \/>\r\ninteractions between PSS molecules and rGO nanoplatelets, with calculations<br \/>\r\nsupported by Fourier transform infrared spectroscopy analysis. The intermolecular<br \/>\r\nforces between rGO nanoplatelets and PSS lead to the formation of a hybrid material<br \/>\r\n(GPSS) stabilized by van der Waals forces, allowing the fabrication of high-quality<br \/>\r\nlayer-by-layer (LbL) films with poly(allylamine hydrochloride) (PAH). Raman and<br \/>\r\nelectrical characterizations corroborated the successful modifications in the electronic<br \/>\r\nstructures from GO to GPSS after the chemical treatment, resulting in (PAH\/<br \/>\r\nGPSS) LbL films four orders of magnitude more conductive than (PAH\/GO).<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('384','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_384\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1\" title=\"https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1\" target=\"_blank\">https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1\" title=\"Follow DOI:https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1\" target=\"_blank\">doi:https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2325-1<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('384','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">355.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-22-at-14.43.13.png\" width=\"300\" alt=\"On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Eliezer F.; Autreto Oliveira, Pedro A. S. ; Woellner<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/abs\/1804.07215\" title=\"https:\/\/arxiv.org\/abs\/1804.07215\" target=\"blank\">On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2018<\/span><span class=\"tp_pub_additional_note\">, (preprint ArXiv:1804.07215)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_418\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('418','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_418\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('418','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_418\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('418','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=251#tppubs\" title=\"Show all publications which have a relationship to this tag\">carbon allotropes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7#tppubs\" title=\"Show all publications which have a relationship to this tag\">DFT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=250#tppubs\" title=\"Show all publications which have a relationship to this tag\">novamenes<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_418\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Oliveira2018f,<br \/>\r\ntitle = {On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation},<br \/>\r\nauthor = {Oliveira, Eliezer F.; Autreto, Pedro A. S.; Woellner, Cristiano F.; Galvao, Douglas S.},<br \/>\r\nurl = {https:\/\/arxiv.org\/abs\/1804.07215},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-04-19},<br \/>\r\nabstract = {We have investigated through fully atomistic reactive molecular dynamics and DFT simulations, the mechanical properties and fracture dynamics of novamene, a new 3D carbon allotrope structure recently proposed. Our results showed that novamene is an anisotropic structure with relation to tensile deformation. Although novamente shares some mechanical features with other carbon allotropes, it also exhibits distinct ones, such as, extensive structural reconstructions (self-healing effect). Novamene presents ultimate strength (~ 100 GPa) values lower than other carbon allotropes, but it has the highest ultimate strain along the z-direction (~ 22.5%). Although the Young's modulus (~ 600 GPa) and ultimate strength values are smaller than for other carbon allotropes, they still outperform other materials, such as for example silicon, steel or titanium alloys. With relation to the fracture dynamics, novamene is again anisotropic with the fracture\/crack propagation originating from deformed heptagons and pentagons for x and y directions and broken sp3 bonds connecting structural planes. Another interesting feature is the formation of multiple and long carbon linear chains in the final fracture stages.},<br \/>\r\nnote = {preprint ArXiv:1804.07215},<br \/>\r\nkeywords = {carbon allotropes, DFT, Molecular Dynamics, novamenes},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('418','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_418\" style=\"display:none;\"><div class=\"tp_abstract_entry\">We have investigated through fully atomistic reactive molecular dynamics and DFT simulations, the mechanical properties and fracture dynamics of novamene, a new 3D carbon allotrope structure recently proposed. Our results showed that novamene is an anisotropic structure with relation to tensile deformation. Although novamente shares some mechanical features with other carbon allotropes, it also exhibits distinct ones, such as, extensive structural reconstructions (self-healing effect). Novamene presents ultimate strength (~ 100 GPa) values lower than other carbon allotropes, but it has the highest ultimate strain along the z-direction (~ 22.5%). Although the Young's modulus (~ 600 GPa) and ultimate strength values are smaller than for other carbon allotropes, they still outperform other materials, such as for example silicon, steel or titanium alloys. With relation to the fracture dynamics, novamene is again anisotropic with the fracture\/crack propagation originating from deformed heptagons and pentagons for x and y directions and broken sp3 bonds connecting structural planes. Another interesting feature is the formation of multiple and long carbon linear chains in the final fracture stages.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('418','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_418\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-arxiv\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/abs\/1804.07215\" title=\"https:\/\/arxiv.org\/abs\/1804.07215\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1804.07215<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('418','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">354.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-08-at-19.58.06.png\" width=\"300\" alt=\"Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Devi, M. Manolata;  Dolai, N.;  S, S. Sreehala;  Jaques, Y. M.;  Galvao, Douglas S.;  C.S.Tiwary,;  Sharma, Sudhanshu;  Biswas, Krishanu<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1039\/C7NR09688G\" title=\"Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity\" target=\"blank\">Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Nanoscale, <\/span><span class=\"tp_pub_additional_volume\">vol. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 8840-8850, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_413\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('413','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_413\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('413','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_413\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('413','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=238#tppubs\" title=\"Show all publications which have a relationship to this tag\">alloys<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203#tppubs\" title=\"Show all publications which have a relationship to this tag\">Modeling<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=89#tppubs\" title=\"Show all publications which have a relationship to this tag\">Nanoparticles<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_413\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Devi2018b,<br \/>\r\ntitle = {Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity},<br \/>\r\nauthor = {M. Manolata Devi and N. Dolai and S. Sreehala S and Y. M. Jaques and Douglas S. Galvao and C.S.Tiwary and Sudhanshu Sharma and Krishanu Biswas},<br \/>\r\nurl = {pubs.rsc.org\/en\/content\/articlehtml\/2018\/nr\/c7nr09688g},<br \/>\r\ndoi = {10.1039\/C7NR09688G},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-04-07},<br \/>\r\njournal = {Nanoscale},<br \/>\r\nvolume = {10},<br \/>\r\npages = {8840-8850},<br \/>\r\nabstract = {Selective oxidation of CO to CO2 using metallic or alloy nanoparticles as catalysts can solve two major problems of energy requirements and environmental pollution. Achieving 100% conversion efficiency at a lower temperature is a very important goal. This requires sustained efforts to design and develop novel supported catalysts containing alloy nanoparticles. In this regard, the decoration of nanoalloys with graphene, as a support for the catalyst, can provide a novel structure due to the synergic effect of the nanoalloys and graphene. Here, we demonstrate the effect of nano-PdPt (Palladium\u2013Platinum) alloys having different morphologies on the catalytic efficiency for the selective oxidation of CO. Efforts were made to prepare different morphologies of PdPt alloy nanoparticles with the advantage of tuning the capping agent (PVP \u2013 polyvinyl pyrollidone) and decorating them on graphene sheets via the wet-chemical route. The catalytic activity of the G-PdPt hybrids with an urchin-like morphology has been found to be superior (higher % conversion at 135 \u00b0C lower) to that with a nanoflower morphology. The above experimental observations are further supported by molecular dynamics (MD) simulations.},<br \/>\r\nkeywords = {alloys, Graphene, Modeling, Nanoparticles},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('413','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_413\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Selective oxidation of CO to CO2 using metallic or alloy nanoparticles as catalysts can solve two major problems of energy requirements and environmental pollution. Achieving 100% conversion efficiency at a lower temperature is a very important goal. This requires sustained efforts to design and develop novel supported catalysts containing alloy nanoparticles. In this regard, the decoration of nanoalloys with graphene, as a support for the catalyst, can provide a novel structure due to the synergic effect of the nanoalloys and graphene. Here, we demonstrate the effect of nano-PdPt (Palladium\u2013Platinum) alloys having different morphologies on the catalytic efficiency for the selective oxidation of CO. Efforts were made to prepare different morphologies of PdPt alloy nanoparticles with the advantage of tuning the capping agent (PVP \u2013 polyvinyl pyrollidone) and decorating them on graphene sheets via the wet-chemical route. The catalytic activity of the G-PdPt hybrids with an urchin-like morphology has been found to be superior (higher % conversion at 135 \u00b0C lower) to that with a nanoflower morphology. The above experimental observations are further supported by molecular dynamics (MD) simulations.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('413','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_413\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"pubs.rsc.org\/en\/content\/articlehtml\/2018\/nr\/c7nr09688g\" title=\"pubs.rsc.org\/en\/content\/articlehtml\/2018\/nr\/c7nr09688g\" target=\"_blank\">pubs.rsc.org\/en\/content\/articlehtml\/2018\/nr\/c7nr09688g<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/C7NR09688G\" title=\"Follow DOI:10.1039\/C7NR09688G\" target=\"_blank\">doi:10.1039\/C7NR09688G<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('413','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">353.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Deformation Mechanisms of Vertically Stacked WS2 \/MoS2 Heterostructures: The Role of Interfaces\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/04\/Screen-Shot-2018-04-08-at-20.10.27.png\" width=\"300\" alt=\"Deformation Mechanisms of Vertically Stacked WS2 \/MoS2 Heterostructures: The Role of Interfaces\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Sandhya; Manimunda Susarla, Praveena; Morais Jaques<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/DOI: 10.1021\/acsnano.8b01786\" title=\"Deformation Mechanisms of Vertically Stacked WS2 \/MoS2 Heterostructures: The Role of Interfaces\" target=\"blank\">Deformation Mechanisms of Vertically Stacked WS2 \/MoS2 Heterostructures: The Role of Interfaces<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">ACS Nano, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 4, <\/span><span class=\"tp_pub_additional_pages\">pp. 4036\u22124044, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_415\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('415','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_415\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('415','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_415\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('415','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=196#tppubs\" title=\"Show all publications which have a relationship to this tag\">Chalcogenides<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203#tppubs\" title=\"Show all publications which have a relationship to this tag\">Modeling<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_415\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Susarla2018,<br \/>\r\ntitle = {Deformation Mechanisms of Vertically Stacked WS2 \/MoS2 Heterostructures: The Role of Interfaces},<br \/>\r\nauthor = {Susarla, Sandhya; Manimunda, Praveena; Morais Jaques, Ygor; Hachtel, Jordan; Idrobo, Juan Carlos; Syed Amanulla, Syed Asif; Galvao, Douglas; Tiwary, Chandra; Ajayan, Pulickel},<br \/>\r\nurl = {https:\/\/pubs.acs.org\/doi\/10.1021\/acsnano.8b01786},<br \/>\r\ndoi = {DOI: 10.1021\/acsnano.8b01786},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-04-05},<br \/>\r\njournal = {ACS Nano},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {4},<br \/>\r\npages = {4036\u22124044},<br \/>\r\nabstract = {The mechanical and optical properties generated due to the stacking of different atomically thin materials<br \/>\r\nhave made it possible to tune and engineer these materials for next-generation electronics. The understanding of the<br \/>\r\ninterlayer interactions in such stacked structures is of fundamental interest for structure and property correlation. Here, a<br \/>\r\ncombined approach of in situ Raman spectroscopy and mechanical straining along with molecular dynamics (MD)<br \/>\r\nsimulations has been used to probe one such interface, namely, the WS2\/MoS2 heterostructure. Vertical heterostructures on<br \/>\r\npoly(methyl methacrylate), when flexed, showed signs of decoupling at 1.2% strain. Theoretical calculations showed straininduced<br \/>\r\nstacking changes at 1.75% strain. The sliding characteristics of layers were also investigated using scanning probe<br \/>\r\nmicroscopy based nanoscratch testing, and the results are further supported by MD simulations. The present study could<br \/>\r\nbe used to design future optoelectronic devices based on WS2\/MoS2 heterostructures.},<br \/>\r\nkeywords = {Chalcogenides, Modeling},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('415','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_415\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The mechanical and optical properties generated due to the stacking of different atomically thin materials<br \/>\r\nhave made it possible to tune and engineer these materials for next-generation electronics. The understanding of the<br \/>\r\ninterlayer interactions in such stacked structures is of fundamental interest for structure and property correlation. Here, a<br \/>\r\ncombined approach of in situ Raman spectroscopy and mechanical straining along with molecular dynamics (MD)<br \/>\r\nsimulations has been used to probe one such interface, namely, the WS2\/MoS2 heterostructure. Vertical heterostructures on<br \/>\r\npoly(methyl methacrylate), when flexed, showed signs of decoupling at 1.2% strain. Theoretical calculations showed straininduced<br \/>\r\nstacking changes at 1.75% strain. The sliding characteristics of layers were also investigated using scanning probe<br \/>\r\nmicroscopy based nanoscratch testing, and the results are further supported by MD simulations. The present study could<br \/>\r\nbe used to design future optoelectronic devices based on WS2\/MoS2 heterostructures.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('415','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_415\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsnano.8b01786\" title=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsnano.8b01786\" target=\"_blank\">https:\/\/pubs.acs.org\/doi\/10.1021\/acsnano.8b01786<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/DOI: 10.1021\/acsnano.8b01786\" title=\"Follow DOI:DOI: 10.1021\/acsnano.8b01786\" target=\"_blank\">doi:DOI: 10.1021\/acsnano.8b01786<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('415','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">352.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/03\/Screen-Shot-2018-03-22-at-18.18.53.png\" width=\"300\" alt=\"Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Kabbani, Mohamad A.;  Kochat, Vidya;  Bhowmick, Sanjit;  Soto, Matias;  Som, Anirban;  Krishnadas, K. R.;  Woellner, Cristiano F.;  Jaques, Ygor M.;  Barrera, Enrique V.;  Asif, Syed;  Vajtai, Robert;  Pradeep, Thalappil;  Galv\u00e3o, Douglas S.;  Kabbani, Ahmad T.;  Tiwary, Chandra Sekhar;  Ajayan, Pulickel M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/DOI:10.1016\/j.carbon.2018.03.049\" title=\"Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry\" target=\"blank\">Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Carbon, <\/span><span class=\"tp_pub_additional_volume\">vol. 134, <\/span><span class=\"tp_pub_additional_number\">no. 8, <\/span><span class=\"tp_pub_additional_pages\">pp. 491-499, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_373\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('373','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_373\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('373','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_373\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('373','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=7#tppubs\" title=\"Show all publications which have a relationship to this tag\">DFT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=231#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanochemistry<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_373\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Kabbani2018,<br \/>\r\ntitle = {Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry},<br \/>\r\nauthor = {Mohamad A. Kabbani and Vidya Kochat and Sanjit Bhowmick and Matias Soto and Anirban Som and K.R. Krishnadas and Cristiano F. Woellner and Ygor M. Jaques and Enrique V. Barrera and Syed Asif and Robert Vajtai and Thalappil Pradeep and Douglas S. Galv\u00e3o and Ahmad T. Kabbani and Chandra Sekhar Tiwary and Pulickel M. Ajayan},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318302987?dgcid=raven_sd_aip_email},<br \/>\r\ndoi = {DOI:10.1016\/j.carbon.2018.03.049},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-03-22},<br \/>\r\njournal = {Carbon},<br \/>\r\nvolume = {134},<br \/>\r\nnumber = {8},<br \/>\r\npages = {491-499},<br \/>\r\nabstract = {Graphitic solids are typically produced via high temperature and energy consuming<br \/>\r\nprocessing (e.g. sintering) of carbon particles. Here, we demonstrate the mechano-chemical<br \/>\r\nassembly of functionalized graphene layers into 3D graphitic solids via room temperature and<br \/>\r\nlow energy consuming processing. The chemical functional groups on graphene layers are<br \/>\r\ninterconnected at room temperature under pressure leading to porous three-dimensional<br \/>\r\nstructures with tunable mechanical and electrical properties. The formation of mechanochemistry<br \/>\r\ninduced atomic scale junctions and their impact on mechanical properties of<br \/>\r\ngraphene assembled carbon materials are demonstrated through nano-indentation experiments<br \/>\r\nand confirmed using DFT and molecular dynamics simulations. The results show room<br \/>\r\ntemperature consolidation routes of graphene layers into bulk carbon solids.},<br \/>\r\nkeywords = {DFT, Graphene, Mechanochemistry, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('373','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_373\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphitic solids are typically produced via high temperature and energy consuming<br \/>\r\nprocessing (e.g. sintering) of carbon particles. Here, we demonstrate the mechano-chemical<br \/>\r\nassembly of functionalized graphene layers into 3D graphitic solids via room temperature and<br \/>\r\nlow energy consuming processing. The chemical functional groups on graphene layers are<br \/>\r\ninterconnected at room temperature under pressure leading to porous three-dimensional<br \/>\r\nstructures with tunable mechanical and electrical properties. The formation of mechanochemistry<br \/>\r\ninduced atomic scale junctions and their impact on mechanical properties of<br \/>\r\ngraphene assembled carbon materials are demonstrated through nano-indentation experiments<br \/>\r\nand confirmed using DFT and molecular dynamics simulations. The results show room<br \/>\r\ntemperature consolidation routes of graphene layers into bulk carbon solids.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('373','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_373\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318302987?dgcid=raven_sd_aip_email\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318302987?dgcid=raven_[...]\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0008622318302987?dgcid=raven_[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/DOI:10.1016\/j.carbon.2018.03.049\" title=\"Follow DOI:DOI:10.1016\/j.carbon.2018.03.049\" target=\"_blank\">doi:DOI:10.1016\/j.carbon.2018.03.049<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('373','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">351.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/03\/Screen-Shot-2018-03-03-at-13.11.41.png\" width=\"300\" alt=\"Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Solis, Daniel;  Borges, Daiane D.;  Woellner, Cristiano F.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/abs\/1803.00154\" title=\"https:\/\/arxiv.org\/abs\/1803.00154\" target=\"blank\">Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2018<\/span><span class=\"tp_pub_additional_urldate\">, visited: 02.03.2018<\/span><span class=\"tp_pub_additional_note\">, (preprint ArXiv: 1803.00154)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_412\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('412','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_412\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('412','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_412\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('412','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=213#tppubs\" title=\"Show all publications which have a relationship to this tag\">graphdiynes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=20#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphynes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=246#tppubs\" title=\"Show all publications which have a relationship to this tag\">molcular dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=4#tppubs\" title=\"Show all publications which have a relationship to this tag\">Scrolls<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_412\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Solis2018b,<br \/>\r\ntitle = {Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures},<br \/>\r\nauthor = {Daniel Solis and Daiane D. Borges and Cristiano F. Woellner and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/arxiv.org\/abs\/1803.00154},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-03-02},<br \/>\r\nurldate = {2018-03-02},<br \/>\r\nabstract = {Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes,<br \/>\r\nwhere acetylenic groups connect benzenoid-like hexagonal rings, with the co-existence of sp and<br \/>\r\nsp<br \/>\r\n2 hybridized carbon atoms. The main differences between graphynes and graphdiynes are the<br \/>\r\nnumber of acetylenic groups (one and two for graphynes and graphdiynes, respectively).<br \/>\r\nSimilarly to graphene nanoscrolls, graphyne and graphdiynes nanoscrolls are nanosized<br \/>\r\nmembranes rolled up into papyrus-like structures. In this work we investigated through fully<br \/>\r\natomistic reactive molecular dynamics simulations the structural and thermal (up to 1000K)<br \/>\r\nstability of \u03b1,\u03b2,\u03b3-graphyne and \u03b1,\u03b2,\u03b3-graphdiyne scrolls. Our results show that stable nanoscrolls<br \/>\r\ncan be formed for all the structures investigated here, although they are less stable than<br \/>\r\ncorresponding graphene scrolls. This can be explained as a consequence of the higher<br \/>\r\ngraphyne\/graphdiyne structural porosity in relation to graphene, which results in decreased \u03c0-\u03c0<br \/>\r\nstacking interactions. },<br \/>\r\nnote = {preprint ArXiv: 1803.00154},<br \/>\r\nkeywords = {graphdiynes, Graphynes, molcular dynamics, Scrolls},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('412','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_412\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes,<br \/>\r\nwhere acetylenic groups connect benzenoid-like hexagonal rings, with the co-existence of sp and<br \/>\r\nsp<br \/>\r\n2 hybridized carbon atoms. The main differences between graphynes and graphdiynes are the<br \/>\r\nnumber of acetylenic groups (one and two for graphynes and graphdiynes, respectively).<br \/>\r\nSimilarly to graphene nanoscrolls, graphyne and graphdiynes nanoscrolls are nanosized<br \/>\r\nmembranes rolled up into papyrus-like structures. In this work we investigated through fully<br \/>\r\natomistic reactive molecular dynamics simulations the structural and thermal (up to 1000K)<br \/>\r\nstability of \u03b1,\u03b2,\u03b3-graphyne and \u03b1,\u03b2,\u03b3-graphdiyne scrolls. Our results show that stable nanoscrolls<br \/>\r\ncan be formed for all the structures investigated here, although they are less stable than<br \/>\r\ncorresponding graphene scrolls. This can be explained as a consequence of the higher<br \/>\r\ngraphyne\/graphdiyne structural porosity in relation to graphene, which results in decreased \u03c0-\u03c0<br \/>\r\nstacking interactions. <\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('412','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_412\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-arxiv\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/abs\/1803.00154\" title=\"https:\/\/arxiv.org\/abs\/1803.00154\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1803.00154<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('412','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">350.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Differences in the Mechanical Properties of Monolayer and Multilayer WSe2\/MoSe2\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/03\/Screen-Shot-2018-03-05-at-12.23.13.png\" width=\"300\" alt=\"Differences in the Mechanical Properties of Monolayer and Multilayer WSe2\/MoSe2\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Jaques, Y. M.;  Manimunda, P.;  Nakanishi, Y.;  Susarla, S.;  Woellner, C. F.;  Bhowmick, S.;  Asif, S. A. S.;  Galvao, D. S.;  Tiwary, C. S.;  Ajayan, P. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.246\" title=\"Differences in the Mechanical Properties of Monolayer and Multilayer WSe2\/MoSe2\" target=\"blank\">Differences in the Mechanical Properties of Monolayer and Multilayer WSe2\/MoSe2<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 3, <\/span><span class=\"tp_pub_additional_number\">no. 6-7, <\/span><span class=\"tp_pub_additional_pages\">pp. 373-378, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_396\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('396','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_396\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('396','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_396\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('396','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=196#tppubs\" title=\"Show all publications which have a relationship to this tag\">Chalcogenides<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203#tppubs\" title=\"Show all publications which have a relationship to this tag\">Modeling<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_396\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Jaques2018,<br \/>\r\ntitle = {Differences in the Mechanical Properties of Monolayer and Multilayer WSe2\/MoSe2},<br \/>\r\nauthor = {Y. M. Jaques and P. Manimunda and Y. Nakanishi and S. Susarla and C. F. Woellner and S. Bhowmick and S. A. S. Asif and D. S. Galvao and C. S. Tiwary and P. M. Ajayan},<br \/>\r\nurl = {https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/differences-in-the-mechanical-properties-of-monolayer-and-multilayer-wse2mose2\/4F6AFF52BCE7DFFF87E35AC424A8F0BE},<br \/>\r\ndoi = { https:\/\/doi.org\/10.1557\/adv.2018.246},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-03-01},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nvolume = {3},<br \/>\r\nnumber = {6-7},<br \/>\r\npages = {373-378},<br \/>\r\nabstract = {Transition metal dichalcogenides are 2D structures with remarkable electronic, chemical, optical and mechanical properties. Monolayer and crystal properties of these structures have been extensively investigated, but a detailed understanding of the properties of their few-layer structures are still missing. In this work we investigated the mechanical differences between monolayer and multilayer WSe2 and MoSe2, through fully atomistic molecular dynamics simulations (MD). It was observed that single layer WSe2\/MoSe2 deposited on silicon substrates have larger friction coefficients than 2, 3 and 4 layered structures. For all considered cases it is always easier to peel off and\/or to fracture MoSe2 structures. These results suggest that the interactions between first layer and substrate are stronger than interlayer interactions themselves. Similar findings have been reported for other nanomaterials and it has been speculated whether this is a universal-like behavior for 2D layered materials. We have also analyzed fracture patterns. Our results show that fracture is chirality dependent with crack propagation preferentially perpendicular to W(Mo)-Se bonds and faster for zig-zag-like defects.},<br \/>\r\nkeywords = {Chalcogenides, Modeling},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('396','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_396\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Transition metal dichalcogenides are 2D structures with remarkable electronic, chemical, optical and mechanical properties. Monolayer and crystal properties of these structures have been extensively investigated, but a detailed understanding of the properties of their few-layer structures are still missing. In this work we investigated the mechanical differences between monolayer and multilayer WSe2 and MoSe2, through fully atomistic molecular dynamics simulations (MD). It was observed that single layer WSe2\/MoSe2 deposited on silicon substrates have larger friction coefficients than 2, 3 and 4 layered structures. For all considered cases it is always easier to peel off and\/or to fracture MoSe2 structures. These results suggest that the interactions between first layer and substrate are stronger than interlayer interactions themselves. Similar findings have been reported for other nanomaterials and it has been speculated whether this is a universal-like behavior for 2D layered materials. We have also analyzed fracture patterns. Our results show that fracture is chirality dependent with crack propagation preferentially perpendicular to W(Mo)-Se bonds and faster for zig-zag-like defects.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('396','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_396\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/differences-in-the-mechanical-properties-of-monolayer-and-multilayer-wse2mose2\/4F6AFF52BCE7DFFF87E35AC424A8F0BE\" title=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/differences-in-the-[...]\" target=\"_blank\">https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/differences-in-the-[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.246\" title=\"Follow DOI: https:\/\/doi.org\/10.1557\/adv.2018.246\" target=\"_blank\">doi: https:\/\/doi.org\/10.1557\/adv.2018.246<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('396','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">349.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/02\/Screen-Shot-2018-02-15-at-10.44.02-1.png\" width=\"300\" alt=\"Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Zink, Stefan;  Moura, Francisco Alirio; da Silva Autreto, Pedro Alves;  Galva\u0303o, Douglas Soares;  Mizaikoff, Boris<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1039\/C7CP08283E\" title=\"Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations\" target=\"blank\">Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 20, <\/span><span class=\"tp_pub_additional_pages\">pp. 13153\u201313158, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_365\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('365','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_365\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('365','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_365\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('365','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=222#tppubs\" title=\"Show all publications which have a relationship to this tag\">MIPs<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=116#tppubs\" title=\"Show all publications which have a relationship to this tag\">Polymer<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=221#tppubs\" title=\"Show all publications which have a relationship to this tag\">TIE<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_365\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Zink2018,<br \/>\r\ntitle = {Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations},<br \/>\r\nauthor = {Stefan Zink and Francisco Alirio Moura and Pedro Alves da Silva Autreto and Douglas Soares Galva\u0303o and Boris Mizaikoff},<br \/>\r\nurl = {http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08283e\/unauth#!divAbstract},<br \/>\r\ndoi = {10.1039\/C7CP08283E},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-15},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {20},<br \/>\r\npages = {13153--13158},<br \/>\r\nabstract = {Synthetic molecular recognition materials, such as molecularly imprinted polymers (MIPs) are of increasing importance in biotechnology and analytical chemistry, as they are able to selectively bind their respective template. However, due to their specificity, each MIP has to be individually designed for the desired target leading to a molecularly tailored synthesis strategy. While trial-and-error remains the common approach for selecting suitable functional monomers (FM), the study herein introduces a radical new approach towards rationally designing MIPs by rapidly screening suitable functional monomers based on local density of states (LDOS) calculations in a technique known as Electronic Indices Methodology (EIM). An EIM-based method of classification of FMs according to their suitability for imprinting was developed. Starting from a training set of nine different functional monomers, the prediction of suitability of four functional monomers was possible. These predictions were subsequently experimentally confirmed.},<br \/>\r\nkeywords = {MIPs, Polymer, TIE},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('365','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_365\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Synthetic molecular recognition materials, such as molecularly imprinted polymers (MIPs) are of increasing importance in biotechnology and analytical chemistry, as they are able to selectively bind their respective template. However, due to their specificity, each MIP has to be individually designed for the desired target leading to a molecularly tailored synthesis strategy. While trial-and-error remains the common approach for selecting suitable functional monomers (FM), the study herein introduces a radical new approach towards rationally designing MIPs by rapidly screening suitable functional monomers based on local density of states (LDOS) calculations in a technique known as Electronic Indices Methodology (EIM). An EIM-based method of classification of FMs according to their suitability for imprinting was developed. Starting from a training set of nine different functional monomers, the prediction of suitability of four functional monomers was possible. These predictions were subsequently experimentally confirmed.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('365','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_365\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08283e\/unauth#!divAbstract\" title=\"http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08283e\/unauth#!divAbst[...]\" target=\"_blank\">http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08283e\/unauth#!divAbst[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/C7CP08283E\" title=\"Follow DOI:10.1039\/C7CP08283E\" target=\"_blank\">doi:10.1039\/C7CP08283E<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('365','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">348.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/07\/2018-PCCP-VIPcover.gif\" width=\"300\" alt=\"Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Zink, Stefan;  Moura, Francisco Alirio; da Silva Autreto, Pedro Alves;  Galvao, Douglas Soares;  Mizaikoff, Boris<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1039\/C7CP08284C\" title=\"Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations\" target=\"blank\">Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 20, <\/span><span class=\"tp_pub_additional_pages\">pp. 13145-13152, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_366\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('366','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_366\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('366','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_366\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('366','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=222#tppubs\" title=\"Show all publications which have a relationship to this tag\">MIPs<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_366\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Zink2018b,<br \/>\r\ntitle = {Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations},<br \/>\r\nauthor = {Stefan Zink and Francisco Alirio Moura and Pedro Alves da Silva Autreto and Douglas Soares Galvao and Boris Mizaikoff},<br \/>\r\nurl = {http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08284c\/unauth#!divAbstract},<br \/>\r\ndoi = {10.1039\/C7CP08284C},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-15},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {20},<br \/>\r\npages = {13145-13152},<br \/>\r\nabstract = {Molecularly imprinted polymers are advanced recognition materials selectively rebinding a target molecule present during synthesis of the polymer matrix. It is commonly understood that the templating process is based on embedding the complex formed between a template and functional monomers into a co-polymer matrix via polymerization with a cross-linker while maintaining their spatial arrangement forming a molecular imprint. Template removal then leads to synthetic recognition sites ready to selectively rebind their targets, which are complementary in functionality, size and shape to the target. In this study, an innovative theoretical concept using fully atomistic molecular dynamics simulations for modeling molecular templating processes is introduced yielding virtually imprinted polymers (VIPs). VIPs created for the template of 17-beta-estradiol and applied in modeled chromatography experiments demonstrated selectivity for their template evidencing the creation of virtual imprints as a result of a template synthesis protocol, which represents a theoretical confirmation of the governing imprinting theory.},<br \/>\r\nkeywords = {MIPs, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('366','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_366\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Molecularly imprinted polymers are advanced recognition materials selectively rebinding a target molecule present during synthesis of the polymer matrix. It is commonly understood that the templating process is based on embedding the complex formed between a template and functional monomers into a co-polymer matrix via polymerization with a cross-linker while maintaining their spatial arrangement forming a molecular imprint. Template removal then leads to synthetic recognition sites ready to selectively rebind their targets, which are complementary in functionality, size and shape to the target. In this study, an innovative theoretical concept using fully atomistic molecular dynamics simulations for modeling molecular templating processes is introduced yielding virtually imprinted polymers (VIPs). VIPs created for the template of 17-beta-estradiol and applied in modeled chromatography experiments demonstrated selectivity for their template evidencing the creation of virtual imprints as a result of a template synthesis protocol, which represents a theoretical confirmation of the governing imprinting theory.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('366','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_366\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08284c\/unauth#!divAbstract\" title=\"http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08284c\/unauth#!divAbst[...]\" target=\"_blank\">http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp08284c\/unauth#!divAbst[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/C7CP08284C\" title=\"Follow DOI:10.1039\/C7CP08284C\" target=\"_blank\">doi:10.1039\/C7CP08284C<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('366','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">347.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/02\/Screen-Shot-2018-02-14-at-11.05.47.png\" width=\"300\" alt=\"Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Leonardo D Machado Cristiano F Woellner, Pedro AS Autreto;  Galvao, Douglas S<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/DOI:10.1039\/C7CP07402F\" title=\"Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions\" target=\"blank\">Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 20, <\/span><span class=\"tp_pub_additional_pages\">pp. 4911-4916, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_382\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('382','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_382\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('382','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_382\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('382','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=236#tppubs\" title=\"Show all publications which have a relationship to this tag\">impact<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=235#tppubs\" title=\"Show all publications which have a relationship to this tag\">scroll<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_382\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Woellner2018,<br \/>\r\ntitle = {Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions},<br \/>\r\nauthor = {Cristiano F Woellner, Leonardo D Machado, Pedro AS Autreto, Jose M de Sousa, and Douglas S Galvao},<br \/>\r\nurl = {http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp07402f#!divAbstract},<br \/>\r\ndoi = {DOI:10.1039\/C7CP07402F},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-14},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {20},<br \/>\r\npages = {4911-4916},<br \/>\r\nabstract = {The behavior of nanostructures under high strain-rate conditions has been the object of theoretical and<br \/>\r\nexperimental investigations in recent years. For instance, it has been shown that carbon and boron<br \/>\r\nnitride nanotubes can be unzipped into nanoribbons at high-velocity impacts. However, the response of<br \/>\r\nmany nanostructures to high strain-rate conditions is still unknown. In this work, we have investigated<br \/>\r\nthe mechanical behavior of carbon (CNS) and boron nitride nanoscrolls (BNS) colliding against solid<br \/>\r\ntargets at high velocities, using fully atomistic reactive (ReaxFF) molecular dynamics (MD) simulations.<br \/>\r\nCNS (BNS) are graphene (boron nitride) membranes rolled up into papyrus-like structures. Their openended<br \/>\r\ntopology leads to unique properties not found in their close-ended analogs, such as nanotubes.<br \/>\r\nOur results show that collision products are mainly determined by impact velocities and by two<br \/>\r\norientation angles, which define the position of the scroll (i) axis and (ii) open edge relative to the target.<br \/>\r\nOur MD results showed that for appropriate velocities and orientations, large-scale deformations and<br \/>\r\nnanoscroll fractures could occur. We also observed unscrolling (scrolls going back to quasi-planar<br \/>\r\nmembranes), scroll unzipping into nanoribbons, and significant reconstruction due to breaking and\/or<br \/>\r\nformation of new chemical bonds. For particular edge orientations and velocities, conversion from open<br \/>\r\nto close-ended topology is also possible, due to the fusion of nanoscroll walls.},<br \/>\r\nkeywords = {Fracture, impact, Molecular Dynamics, scroll},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('382','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_382\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The behavior of nanostructures under high strain-rate conditions has been the object of theoretical and<br \/>\r\nexperimental investigations in recent years. For instance, it has been shown that carbon and boron<br \/>\r\nnitride nanotubes can be unzipped into nanoribbons at high-velocity impacts. However, the response of<br \/>\r\nmany nanostructures to high strain-rate conditions is still unknown. In this work, we have investigated<br \/>\r\nthe mechanical behavior of carbon (CNS) and boron nitride nanoscrolls (BNS) colliding against solid<br \/>\r\ntargets at high velocities, using fully atomistic reactive (ReaxFF) molecular dynamics (MD) simulations.<br \/>\r\nCNS (BNS) are graphene (boron nitride) membranes rolled up into papyrus-like structures. Their openended<br \/>\r\ntopology leads to unique properties not found in their close-ended analogs, such as nanotubes.<br \/>\r\nOur results show that collision products are mainly determined by impact velocities and by two<br \/>\r\norientation angles, which define the position of the scroll (i) axis and (ii) open edge relative to the target.<br \/>\r\nOur MD results showed that for appropriate velocities and orientations, large-scale deformations and<br \/>\r\nnanoscroll fractures could occur. We also observed unscrolling (scrolls going back to quasi-planar<br \/>\r\nmembranes), scroll unzipping into nanoribbons, and significant reconstruction due to breaking and\/or<br \/>\r\nformation of new chemical bonds. For particular edge orientations and velocities, conversion from open<br \/>\r\nto close-ended topology is also possible, due to the fusion of nanoscroll walls.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('382','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_382\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp07402f#!divAbstract\" title=\"http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp07402f#!divAbstract\" target=\"_blank\">http:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2018\/cp\/c7cp07402f#!divAbstract<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/DOI:10.1039\/C7CP07402F\" title=\"Follow DOI:DOI:10.1039\/C7CP07402F\" target=\"_blank\">doi:DOI:10.1039\/C7CP07402F<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('382','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">346.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study \" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/03\/Screen-Shot-2018-03-03-at-14.22.39.png\" width=\"300\" alt=\"Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study \" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Borges, Daiane Damasceno;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/https:\/\/doi.org\/10.1557\/adv.2018.190\" title=\"Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study \" target=\"blank\">Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study <\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 3, <\/span><span class=\"tp_pub_additional_number\">no. 1-2, <\/span><span class=\"tp_pub_additional_pages\">pp. 115-120, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_398\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('398','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_398\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('398','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_398\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('398','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=243#tppubs\" title=\"Show all publications which have a relationship to this tag\">Gas Storage<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=72#tppubs\" title=\"Show all publications which have a relationship to this tag\">Monte Carlo<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=228#tppubs\" title=\"Show all publications which have a relationship to this tag\">Schwarzites<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_398\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Borges2018d,<br \/>\r\ntitle = {Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study },<br \/>\r\nauthor = {Daiane Damasceno Borges and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/schwarzites-for-natural-gas-storage-a-grandcanonical-monte-carlo-study\/2DF8D601AF8EF04BBAC5CCCBEFA8339E},<br \/>\r\ndoi = {https:\/\/doi.org\/10.1557\/adv.2018.190},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-13},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nvolume = {3},<br \/>\r\nnumber = {1-2},<br \/>\r\npages = {115-120},<br \/>\r\nabstract = {he 3D porous carbon-based structures called Schwarzites have been recently a subject of renewed interest due to the possibility of being synthesized in the near future. These structures exhibit negatively curvature topologies with tuneable porous sizes and shapes, which make them natural candidates for applications such as CO2 capture, gas storage and separation. Nevertheless, the adsorption properties of these materials have not been fully investigated. Following this motivation, we have carried out Grand-Canonical Monte Carlo simulations to study the adsorption of small molecules such as CO2, CO, CH4, N2 and H2, in a series of Schwarzites structures. Here, we present our preliminary results on natural gas adsorptive capacity in association with analyses of the guest-host interaction strengths. Our results show that Schwarzites P7par, P8bal and IWPg are the most promising structures with very high CO2 and CH4 adsorption capacity and low saturation pressure (&lt;1bar) at ambient temperature. The P688 is interesting for H2 storage due to its exceptional high H2 adsorption enthalpy value of -19kJ\/mol.},<br \/>\r\nkeywords = {Gas Storage, Mechanical Properties, Molecular Dynamics, Monte Carlo, Schwarzites},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('398','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_398\" style=\"display:none;\"><div class=\"tp_abstract_entry\">he 3D porous carbon-based structures called Schwarzites have been recently a subject of renewed interest due to the possibility of being synthesized in the near future. These structures exhibit negatively curvature topologies with tuneable porous sizes and shapes, which make them natural candidates for applications such as CO2 capture, gas storage and separation. Nevertheless, the adsorption properties of these materials have not been fully investigated. Following this motivation, we have carried out Grand-Canonical Monte Carlo simulations to study the adsorption of small molecules such as CO2, CO, CH4, N2 and H2, in a series of Schwarzites structures. Here, we present our preliminary results on natural gas adsorptive capacity in association with analyses of the guest-host interaction strengths. Our results show that Schwarzites P7par, P8bal and IWPg are the most promising structures with very high CO2 and CH4 adsorption capacity and low saturation pressure (&lt;1bar) at ambient temperature. The P688 is interesting for H2 storage due to its exceptional high H2 adsorption enthalpy value of -19kJ\/mol.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('398','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_398\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/schwarzites-for-natural-gas-storage-a-grandcanonical-monte-carlo-study\/2DF8D601AF8EF04BBAC5CCCBEFA8339E\" title=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/schwarzites-for-nat[...]\" target=\"_blank\">https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/schwarzites-for-nat[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/https:\/\/doi.org\/10.1557\/adv.2018.190\" title=\"Follow DOI:https:\/\/doi.org\/10.1557\/adv.2018.190\" target=\"_blank\">doi:https:\/\/doi.org\/10.1557\/adv.2018.190<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('398','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">345.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Water\/alcohol separation via layered oxide graphene membranes\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/03\/Screen-Shot-2018-03-05-at-11.51.33.png\" width=\"300\" alt=\"Water\/alcohol separation via layered oxide graphene membranes\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Borges, Daiane Damasceno;  Woellner, Cristiano F.;  Autreto, Pedro A. S.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.192\" title=\"Water\/alcohol separation via layered oxide graphene membranes\" target=\"blank\">Water\/alcohol separation via layered oxide graphene membranes<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 3, <\/span><span class=\"tp_pub_additional_number\">no. 1-2, <\/span><span class=\"tp_pub_additional_pages\">pp. 109-114, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_399\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('399','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_399\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('399','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_399\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('399','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=218#tppubs\" title=\"Show all publications which have a relationship to this tag\">Filtration<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_399\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Borges2018d,<br \/>\r\ntitle = {Water\/alcohol separation via layered oxide graphene membranes},<br \/>\r\nauthor = {Daiane Damasceno Borges and Cristiano F. Woellner and Pedro A. S. Autreto and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/wateralcohol-separation-in-graphene-oxide-membranes-insights-from-molecular-dynamics-and-monte-carlo-simulations\/C61C66FF48D35EB2DB3408ACCE96C41A},<br \/>\r\ndoi = { https:\/\/doi.org\/10.1557\/adv.2018.192},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-13},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nvolume = {3},<br \/>\r\nnumber = {1-2},<br \/>\r\npages = {109-114},<br \/>\r\nabstract = {Graphene-based membranes have been investigated as promising candidates for water filtration and gas separation applications. Experimental evidences have shown that graphene oxide can be impermeable to liquids, vapors and gases, while allowing a fast permeation of water molecules. This phenomenon has been attributed to the formation of a network of nano capillaries that allow nearly frictionless water flow while blocking other molecules by steric hindrance effects. It is supposed that water molecules are transported through the percolated two-dimensional channels formed between graphene-based sheets. Although these channels allow fast water permeation in such materials, the flow rates are strongly dependent on how the membranes are fabricated. Also, some fundamental issues regarding the nanoscale mechanisms of water permeation are still not fully understood and their interpretation remains controversial. In this work, we have investigated the dynamics of water permeation through pristine graphene and graphene oxide model membranes that have strong impact on water\/alcohol separation. We have carried out fully atomistic classical molecular dynamics simulations of systems composed of multiple layered graphene-based sheets into contact with a pure water reservoir under controlled thermodynamics conditions (e. g., by varying temperature and pressure values). We have systematically analysed how the transport dynamics of the confined nanofluids depend on the interlayer distances and the role of the oxide functional groups. Our results show the water flux is much more effective for graphene than for graphene oxide membranes. These results can be attributed to the H-bonds formation between oxide functional groups and water, which traps the water molecules and precludes ultrafast water transport through the nanochannels.},<br \/>\r\nkeywords = {Filtration, Graphene, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('399','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_399\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Graphene-based membranes have been investigated as promising candidates for water filtration and gas separation applications. Experimental evidences have shown that graphene oxide can be impermeable to liquids, vapors and gases, while allowing a fast permeation of water molecules. This phenomenon has been attributed to the formation of a network of nano capillaries that allow nearly frictionless water flow while blocking other molecules by steric hindrance effects. It is supposed that water molecules are transported through the percolated two-dimensional channels formed between graphene-based sheets. Although these channels allow fast water permeation in such materials, the flow rates are strongly dependent on how the membranes are fabricated. Also, some fundamental issues regarding the nanoscale mechanisms of water permeation are still not fully understood and their interpretation remains controversial. In this work, we have investigated the dynamics of water permeation through pristine graphene and graphene oxide model membranes that have strong impact on water\/alcohol separation. We have carried out fully atomistic classical molecular dynamics simulations of systems composed of multiple layered graphene-based sheets into contact with a pure water reservoir under controlled thermodynamics conditions (e. g., by varying temperature and pressure values). We have systematically analysed how the transport dynamics of the confined nanofluids depend on the interlayer distances and the role of the oxide functional groups. Our results show the water flux is much more effective for graphene than for graphene oxide membranes. These results can be attributed to the H-bonds formation between oxide functional groups and water, which traps the water molecules and precludes ultrafast water transport through the nanochannels.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('399','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_399\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/wateralcohol-separation-in-graphene-oxide-membranes-insights-from-molecular-dynamics-and-monte-carlo-simulations\/C61C66FF48D35EB2DB3408ACCE96C41A\" title=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/wateralcohol-separa[...]\" target=\"_blank\">https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/wateralcohol-separa[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.192\" title=\"Follow DOI: https:\/\/doi.org\/10.1557\/adv.2018.192\" target=\"_blank\">doi: https:\/\/doi.org\/10.1557\/adv.2018.192<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('399','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">344.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Defect-Free Carbon Nanotube Coils \" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/02\/Screen-Shot-2018-02-14-at-14.51.28.png\" width=\"300\" alt=\"Defect-Free Carbon Nanotube Coils \" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Shadmi, Nitzan;  Kremen, Anna;  Frenkel, Yiftach;  Lapin, Zachary J.;  Machado, Leonardo D.;  Legoas, Sergio B.;  Bitton, Ora;  Rechav, Katya;  Popovitz-Biro, Ronit;  Galv\u00e3o, Douglas S.;  Jorio, Ado;  Novotny, Lukas;  Kalisky, Beena;  Joselevich, Ernesto<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/abs\/1802.03715\" title=\"https:\/\/arxiv.org\/abs\/1802.03715\" target=\"blank\">Defect-Free Carbon Nanotube Coils <\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2018<\/span><span class=\"tp_pub_additional_note\">, (reprint Nano Letters v16, 2152 (2016))<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_410\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('410','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_410\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('410','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_410\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('410','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=2#tppubs\" title=\"Show all publications which have a relationship to this tag\">Carbon Nanotubes<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=203#tppubs\" title=\"Show all publications which have a relationship to this tag\">Modeling<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=245#tppubs\" title=\"Show all publications which have a relationship to this tag\">Nanocoils<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_410\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Shadmi2018,<br \/>\r\ntitle = {Defect-Free Carbon Nanotube Coils },<br \/>\r\nauthor = {Nitzan Shadmi and Anna Kremen and Yiftach Frenkel and Zachary J. Lapin and Leonardo D. Machado and Sergio B. Legoas and Ora Bitton and Katya Rechav and Ronit Popovitz-Biro and Douglas S. Galv\u00e3o and Ado Jorio and Lukas Novotny and Beena Kalisky and Ernesto Joselevich},<br \/>\r\nurl = {https:\/\/arxiv.org\/abs\/1802.03715},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-13},<br \/>\r\nabstract = {Carbon nanotubes are promising building blocks for various nanoelectronic components. A<br \/>\r\nhighly desirable geometry for such applications is a coil. However, coiled nanotube structures<br \/>\r\nreported so far were inherently defective or had no free ends accessible for contacting. Here we<br \/>\r\ndemonstrate the spontaneous self-coiling of single-wall carbon nanotubes into defect-free coils<br \/>\r\nof up to more than 70 turns with identical diameter and chirality, and free ends. We characterize<br \/>\r\nthe structure, formation mechanism and electrical properties of these coils by different<br \/>\r\nmicroscopies, molecular dynamics simulations, Raman spectroscopy, and electrical and magnetic<br \/>\r\nmeasurements. The coils are highly conductive, as expected for defect-free carbon nanotubes,<br \/>\r\nbut adjacent nanotube segments in the coil are more highly coupled than in regular bundles of<br \/>\r\nsingle-wall carbon nanotubes, owing to their perfect crystal momentum matching, which enables<br \/>\r\ntunneling between the turns. Although this behavior does not yet enable the performance of these<br \/>\r\nnanotube coils as inductive devices, it does point a clear path for their realization. Hence, this<br \/>\r\nstudy represents a major step toward the production of many different nanotube coil devices,<br \/>\r\nincluding inductors, electromagnets, transformers and dynamos.},<br \/>\r\nnote = {reprint Nano Letters v16, 2152 (2016)},<br \/>\r\nkeywords = {Carbon Nanotubes, Modeling, Nanocoils},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('410','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_410\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Carbon nanotubes are promising building blocks for various nanoelectronic components. A<br \/>\r\nhighly desirable geometry for such applications is a coil. However, coiled nanotube structures<br \/>\r\nreported so far were inherently defective or had no free ends accessible for contacting. Here we<br \/>\r\ndemonstrate the spontaneous self-coiling of single-wall carbon nanotubes into defect-free coils<br \/>\r\nof up to more than 70 turns with identical diameter and chirality, and free ends. We characterize<br \/>\r\nthe structure, formation mechanism and electrical properties of these coils by different<br \/>\r\nmicroscopies, molecular dynamics simulations, Raman spectroscopy, and electrical and magnetic<br \/>\r\nmeasurements. The coils are highly conductive, as expected for defect-free carbon nanotubes,<br \/>\r\nbut adjacent nanotube segments in the coil are more highly coupled than in regular bundles of<br \/>\r\nsingle-wall carbon nanotubes, owing to their perfect crystal momentum matching, which enables<br \/>\r\ntunneling between the turns. Although this behavior does not yet enable the performance of these<br \/>\r\nnanotube coils as inductive devices, it does point a clear path for their realization. Hence, this<br \/>\r\nstudy represents a major step toward the production of many different nanotube coil devices,<br \/>\r\nincluding inductors, electromagnets, transformers and dynamos.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('410','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_410\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-arxiv\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/abs\/1802.03715\" title=\"https:\/\/arxiv.org\/abs\/1802.03715\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1802.03715<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('410','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">343.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/02\/Screen-Shot-2018-02-14-at-12.41.11.png\" width=\"300\" alt=\"On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Oliveira, Eliezer Fernando;  Autreto, Pedro Alves da Silva;  Galvao, Douglas Soares<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/10.1007\/s10853-018-2104-z\" title=\"On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation\" target=\"blank\">On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Materials Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 53, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 7486\u20137492, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_388\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('388','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_388\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('388','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_388\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('388','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=236#tppubs\" title=\"Show all publications which have a relationship to this tag\">impact<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=239#tppubs\" title=\"Show all publications which have a relationship to this tag\">silver<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_388\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Oliveira2018,<br \/>\r\ntitle = {On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation},<br \/>\r\nauthor = {Oliveira, Eliezer Fernando and Autreto, Pedro Alves da Silva and Galvao, Douglas Soares},<br \/>\r\nurl = {https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2104-z},<br \/>\r\ndoi = {10.1007\/s10853-018-2104-z},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-09},<br \/>\r\njournal = {Journal of Materials Science},<br \/>\r\nvolume = {53},<br \/>\r\nnumber = {10},<br \/>\r\npages = {7486\u20137492},<br \/>\r\nabstract = {Gradient nanograins (GNG) creation in metals has been a promising approach to obtain ultra-strong materials. Recently, R. Thevamaran et al. (Science 354:312 in 2016) proposed a single-step method based on high-velocity impacts of silver nanocubes (SNC) to produce almost perfect GNG. However, after certain time, these grains spontaneously coalesce, which compromises the induced hardening and other mechanical properties. To better understand these processes, a detailed investigation at the atomic scale of the deformation\/hardening mechanisms are needed, which is one of the objectives of the present work. We carried out fully atomistic molecular dynamics (MD) simulations of silver nanocubes at high impact velocity values using realistic structural models. Our MD results suggest that besides the GNG mechanisms, the observed SNC hardening could be also the result of the existence of polycrystalline arrangements formed by HCP domains encapsulated by FCC ones in the smashed SNC. This can be a new way to design ultra-strong materials, even in the absence of GNG domains.},<br \/>\r\nkeywords = {Fracture, impact, Molecular Dynamics, silver},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('388','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_388\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Gradient nanograins (GNG) creation in metals has been a promising approach to obtain ultra-strong materials. Recently, R. Thevamaran et al. (Science 354:312 in 2016) proposed a single-step method based on high-velocity impacts of silver nanocubes (SNC) to produce almost perfect GNG. However, after certain time, these grains spontaneously coalesce, which compromises the induced hardening and other mechanical properties. To better understand these processes, a detailed investigation at the atomic scale of the deformation\/hardening mechanisms are needed, which is one of the objectives of the present work. We carried out fully atomistic molecular dynamics (MD) simulations of silver nanocubes at high impact velocity values using realistic structural models. Our MD results suggest that besides the GNG mechanisms, the observed SNC hardening could be also the result of the existence of polycrystalline arrangements formed by HCP domains encapsulated by FCC ones in the smashed SNC. This can be a new way to design ultra-strong materials, even in the absence of GNG domains.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('388','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_388\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2104-z\" title=\"https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2104-z\" target=\"_blank\">https:\/\/link.springer.com\/article\/10.1007\/s10853-018-2104-z<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s10853-018-2104-z\" title=\"Follow DOI:10.1007\/s10853-018-2104-z\" target=\"_blank\">doi:10.1007\/s10853-018-2104-z<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('388','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">342.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/03\/Screen-Shot-2018-03-05-at-13.11.05.png\" width=\"300\" alt=\"Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">de Sousa, J. M.;  Aguiar, A. L.;  Girao, E. C.;  Fonseca, Alexandre F.;  Filho, A. G. Souza;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.160\" title=\"Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study\" target=\"blank\">Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 3, <\/span><span class=\"tp_pub_additional_number\">no. 1-2, <\/span><span class=\"tp_pub_additional_pages\">pp. 97-102, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_389\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('389','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_389\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('389','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_389\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('389','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=206#tppubs\" title=\"Show all publications which have a relationship to this tag\">pentagraphene<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_389\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{deSousa2018b,<br \/>\r\ntitle = {Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study},<br \/>\r\nauthor = {J. M. de Sousa and A. L. Aguiar and E. C. Girao and Alexandre F. Fonseca and A. G. Souza Filho and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-pentagraphenebased-nanotubes-a-molecular-dynamics-study\/289AB70DADF20059BB8FCC9EF07B97AB},<br \/>\r\ndoi = { https:\/\/doi.org\/10.1557\/adv.2018.160},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-06},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nvolume = {3},<br \/>\r\nnumber = {1-2},<br \/>\r\npages = {97-102},<br \/>\r\nabstract = {The study of the mechanical properties of nanostructured systems has gained importance in theoretical and experimental research in recent years. Carbon nanotubes (CNTs) are one of the strongest nanomaterials found in nature, with Young\u2019s Modulus (EY) in the order 1.25 TPa. One interesting question is about the possibility of generating new nanostructures with 1D symmetry and with similar and\/or superior CNT properties. In this work, we present a study on the dynamical, structural, mechanical properties, fracture patterns and EY values for one class of these structures, the so-called pentagraphene nanotubes (PGNTs). These tubes are formed rolling up pentagraphene membranes (which are quasi-bidimensional structures formed by densely compacted pentagons of carbon atoms in sp3 and sp2 hybridized states) in the same form that CNTs are formed from rolling up graphene membranes. We carried out fully atomistic molecular dynamics simulations using the ReaxFF force field. We have considered zigzag-like and armchair-like PGNTs of different diameters. Our results show that PGNTs present EY \u223c 800 GPa with distinct elastic behavior in relation to CNTs, mainly associated with mechanical failure, chirality dependent fracture patterns and extensive structural reconstructions.},<br \/>\r\nkeywords = {Fracture, Molecular Dynamics, pentagraphene},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('389','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_389\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The study of the mechanical properties of nanostructured systems has gained importance in theoretical and experimental research in recent years. Carbon nanotubes (CNTs) are one of the strongest nanomaterials found in nature, with Young\u2019s Modulus (EY) in the order 1.25 TPa. One interesting question is about the possibility of generating new nanostructures with 1D symmetry and with similar and\/or superior CNT properties. In this work, we present a study on the dynamical, structural, mechanical properties, fracture patterns and EY values for one class of these structures, the so-called pentagraphene nanotubes (PGNTs). These tubes are formed rolling up pentagraphene membranes (which are quasi-bidimensional structures formed by densely compacted pentagons of carbon atoms in sp3 and sp2 hybridized states) in the same form that CNTs are formed from rolling up graphene membranes. We carried out fully atomistic molecular dynamics simulations using the ReaxFF force field. We have considered zigzag-like and armchair-like PGNTs of different diameters. Our results show that PGNTs present EY \u223c 800 GPa with distinct elastic behavior in relation to CNTs, mainly associated with mechanical failure, chirality dependent fracture patterns and extensive structural reconstructions.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('389','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_389\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-pentagraphenebased-nanotubes-a-molecular-dynamics-study\/289AB70DADF20059BB8FCC9EF07B97AB\" title=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properti[...]\" target=\"_blank\">https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properti[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.160\" title=\"Follow DOI: https:\/\/doi.org\/10.1557\/adv.2018.160\" target=\"_blank\">doi: https:\/\/doi.org\/10.1557\/adv.2018.160<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('389','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">341.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2017\/12\/Screen-Shot-2017-12-28-at-12.31.56.png\" width=\"300\" alt=\"Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\">Cristiano F Woellner Daiane Damasceno Borges, Pedro AS Autreto<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/https:\/\/doi.org\/10.1016\/j.carbon.2017.11.020\" title=\"Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors\" target=\"blank\">Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Carbon, <\/span><span class=\"tp_pub_additional_volume\">vol. 127, <\/span><span class=\"tp_pub_additional_pages\">pp. 280-286, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_379\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('379','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_379\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('379','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_379\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('379','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=218#tppubs\" title=\"Show all publications which have a relationship to this tag\">Filtration<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_379\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Borges2018,<br \/>\r\ntitle = {Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors},<br \/>\r\nauthor = {Daiane Damasceno Borges, Cristiano F Woellner, Pedro AS Autreto, Douglas S Galvao},<br \/>\r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S000862231731134X},<br \/>\r\ndoi = {https:\/\/doi.org\/10.1016\/j.carbon.2017.11.020},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-02-01},<br \/>\r\njournal = {Carbon},<br \/>\r\nvolume = {127},<br \/>\r\npages = {280-286},<br \/>\r\nabstract = {xperimental evidence has shown that graphene oxide (GO) can be impermeable to liquids, vapors and gases, while it allows a fast permeation of water molecules. Theoretical studies to understand the filtration mechanisms come mostly from water desalination, while very few works have been dedicated to alcohol dehydration. In this work, we have investigated the molecular level mechanism underlying the alcohol\/water separation inside GO membranes. A series of Molecular Dynamics and Grand-Canonical Monte Carlo simulations were carried out to probe the ethanol\/water and methanol\/water separation through GO membranes composed of multiple layered graphene-based films with different interlayer distance values and number of oxygen-containing functional groups. Our results show that the size exclusion and membrane affinities are not sufficient to explain the selectivity. Besides that, the favorable water molecular arrangement inside GO 2D-channels forming a robust H-bond network and the fast water permeation are crucial for an effective separation mechanism. In other words, the separation phenomenon is not only governed by membrane affinities (enthalpic mechanisms) but mainly by the geometry and size factors (entropic mechanisms). Our findings are consistent with the available experimental data and contribute to clarify important aspects of the separation behavior of confined alcohol\/water in GO membranes.},<br \/>\r\nkeywords = {Filtration, Graphene, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('379','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_379\" style=\"display:none;\"><div class=\"tp_abstract_entry\">xperimental evidence has shown that graphene oxide (GO) can be impermeable to liquids, vapors and gases, while it allows a fast permeation of water molecules. Theoretical studies to understand the filtration mechanisms come mostly from water desalination, while very few works have been dedicated to alcohol dehydration. In this work, we have investigated the molecular level mechanism underlying the alcohol\/water separation inside GO membranes. A series of Molecular Dynamics and Grand-Canonical Monte Carlo simulations were carried out to probe the ethanol\/water and methanol\/water separation through GO membranes composed of multiple layered graphene-based films with different interlayer distance values and number of oxygen-containing functional groups. Our results show that the size exclusion and membrane affinities are not sufficient to explain the selectivity. Besides that, the favorable water molecular arrangement inside GO 2D-channels forming a robust H-bond network and the fast water permeation are crucial for an effective separation mechanism. In other words, the separation phenomenon is not only governed by membrane affinities (enthalpic mechanisms) but mainly by the geometry and size factors (entropic mechanisms). Our findings are consistent with the available experimental data and contribute to clarify important aspects of the separation behavior of confined alcohol\/water in GO membranes.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('379','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_379\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S000862231731134X\" title=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S000862231731134X\" target=\"_blank\">https:\/\/www.sciencedirect.com\/science\/article\/pii\/S000862231731134X<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/https:\/\/doi.org\/10.1016\/j.carbon.2017.11.020\" title=\"Follow DOI:https:\/\/doi.org\/10.1016\/j.carbon.2017.11.020\" target=\"_blank\">doi:https:\/\/doi.org\/10.1016\/j.carbon.2017.11.020<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('379','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">340.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/01\/Screen-Shot-2018-01-20-at-20.41.20.png\" width=\"300\" alt=\"Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Fonseca, Alexandre F.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/https:\/\/doi.org\/10.1557\/adv.2018.120\" title=\"Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation\" target=\"blank\">Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 3, <\/span><span class=\"tp_pub_additional_number\">no. 8-9, <\/span><span class=\"tp_pub_additional_pages\">pp. 460-465, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_394\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('394','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_394\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('394','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_394\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('394','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=11#tppubs\" title=\"Show all publications which have a relationship to this tag\">Graphene<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_394\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Fonseca2018,<br \/>\r\ntitle = {Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation},<br \/>\r\nauthor = {Alexandre F. Fonseca and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/selfdriven-graphene-tearing-and-peeling-a-fully-atomistic-molecular-dynamics-investigation\/BFC76FC4479AA617E16FA6AC7AB4D487},<br \/>\r\ndoi = {https:\/\/doi.org\/10.1557\/adv.2018.120},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-01-30},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nvolume = {3},<br \/>\r\nnumber = {8-9},<br \/>\r\npages = {460-465},<br \/>\r\nabstract = {In spite of years of intense research, graphene continues to produce surprising results. Recently, it was experimentally observed that under certain conditions graphene can self-drive its tearing and peeling from substrates. This process can generate long, micrometer sized, folded nanoribbons without the action of any external forces. Also, during this cracking-like propagation process, the width of the graphene folded ribbon continuously decreases and the process only stops when the width reaches about few hundreds nanometers in size. It is believed that interplay between the strain energy of folded regions, breaking of carbon-carbon covalent bonds, and adhesion of graphene-graphene and graphene-substrate are the most fundamental features of this process, although the detailed mechanisms at atomic scale remain unclear. In order to gain further insights on these processes we carried out fully atomistic reactive molecular dynamics simulations using the AIREBO potential as available in the LAMMPS computational package. Although the reported tearing\/peeling experimental observations were only to micrometer sized structures, our results showed that they could also occur at nanometer scale. Our preliminary results suggest that the graphene tearing\/peeling process originates from thermal energy fluctuations that results in broken bonds, followed by strain release that creates a local elastic wave that can either reinforce the process, similar to a whip cracking propagation, or undermine it by producing carbon dangling bonds that evolve to the formation of bonds between the two layers of graphene. As the process continues in time and the folded graphene decreases in width, the carbon-carbon bonds at the ribbon edge and interlayer bonds get less stressed, thermal fluctuations become unable to break them and the process stops.},<br \/>\r\nkeywords = {Fracture, Graphene, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('394','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_394\" style=\"display:none;\"><div class=\"tp_abstract_entry\">In spite of years of intense research, graphene continues to produce surprising results. Recently, it was experimentally observed that under certain conditions graphene can self-drive its tearing and peeling from substrates. This process can generate long, micrometer sized, folded nanoribbons without the action of any external forces. Also, during this cracking-like propagation process, the width of the graphene folded ribbon continuously decreases and the process only stops when the width reaches about few hundreds nanometers in size. It is believed that interplay between the strain energy of folded regions, breaking of carbon-carbon covalent bonds, and adhesion of graphene-graphene and graphene-substrate are the most fundamental features of this process, although the detailed mechanisms at atomic scale remain unclear. In order to gain further insights on these processes we carried out fully atomistic reactive molecular dynamics simulations using the AIREBO potential as available in the LAMMPS computational package. Although the reported tearing\/peeling experimental observations were only to micrometer sized structures, our results showed that they could also occur at nanometer scale. Our preliminary results suggest that the graphene tearing\/peeling process originates from thermal energy fluctuations that results in broken bonds, followed by strain release that creates a local elastic wave that can either reinforce the process, similar to a whip cracking propagation, or undermine it by producing carbon dangling bonds that evolve to the formation of bonds between the two layers of graphene. As the process continues in time and the folded graphene decreases in width, the carbon-carbon bonds at the ribbon edge and interlayer bonds get less stressed, thermal fluctuations become unable to break them and the process stops.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('394','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_394\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/selfdriven-graphene-tearing-and-peeling-a-fully-atomistic-molecular-dynamics-investigation\/BFC76FC4479AA617E16FA6AC7AB4D487\" title=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/selfdriven-graphene[...]\" target=\"_blank\">https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/selfdriven-graphene[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/https:\/\/doi.org\/10.1557\/adv.2018.120\" title=\"Follow DOI:https:\/\/doi.org\/10.1557\/adv.2018.120\" target=\"_blank\">doi:https:\/\/doi.org\/10.1557\/adv.2018.120<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('394','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">339.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/03\/Screen-Shot-2018-03-05-at-12.06.09.png\" width=\"300\" alt=\"Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Woellner, Cristiano F.;  Botari, Tiago;  Perim, Eric;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.124\" title=\"Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation\" target=\"blank\">Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_pages\">pp. 1-6, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_395\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('395','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_395\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('395','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_395\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('395','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=228#tppubs\" title=\"Show all publications which have a relationship to this tag\">Schwarzites<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_395\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Woellner2018b,<br \/>\r\ntitle = {Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation},<br \/>\r\nauthor = {Cristiano F. Woellner and Tiago Botari and Eric Perim and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-schwarzites-a-fully-atomistic-reactive-molecular-dynamics-investigation\/012AF477491A46541A052C944E4E4834},<br \/>\r\ndoi = { https:\/\/doi.org\/10.1557\/adv.2018.124},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-01-29},<br \/>\r\njournal = {MRS Advances},<br \/>\r\npages = {1-6},<br \/>\r\nabstract = {Schwarzites are crystalline, 3D porous structures with a stable negative curvature formed of sp2-hybridized carbon atoms. These structures present topologies with tunable porous size and shape and unusual mechanical properties. In this work, we have investigated the mechanical behavior under compressive strain and energy absorption of four different Schwarzites. We considered two Schwarzites families, the so-called Gyroid and Primitive and two structures from each family. We carried out reactive molecular dynamics simulations, using the ReaxFF force field as available in the LAMMPS code. Our results also show they exhibit remarkable resilience under mechanical compression. They can be reduced to half of their original size before structural failure (fracture) occurs.},<br \/>\r\nkeywords = {Mechanical Properties, Molecular Dynamics, Schwarzites},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('395','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_395\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Schwarzites are crystalline, 3D porous structures with a stable negative curvature formed of sp2-hybridized carbon atoms. These structures present topologies with tunable porous size and shape and unusual mechanical properties. In this work, we have investigated the mechanical behavior under compressive strain and energy absorption of four different Schwarzites. We considered two Schwarzites families, the so-called Gyroid and Primitive and two structures from each family. We carried out reactive molecular dynamics simulations, using the ReaxFF force field as available in the LAMMPS code. Our results also show they exhibit remarkable resilience under mechanical compression. They can be reduced to half of their original size before structural failure (fracture) occurs.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('395','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_395\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-schwarzites-a-fully-atomistic-reactive-molecular-dynamics-investigation\/012AF477491A46541A052C944E4E4834\" title=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properti[...]\" target=\"_blank\">https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properti[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/ https:\/\/doi.org\/10.1557\/adv.2018.124\" title=\"Follow DOI: https:\/\/doi.org\/10.1557\/adv.2018.124\" target=\"_blank\">doi: https:\/\/doi.org\/10.1557\/adv.2018.124<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('395','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article\"><div class=\"tp_pub_number\">338.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Mechanical Properties of Ultralow Density Graphene Oxide\/Polydimethylsiloxane Foams\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/01\/Screen-Shot-2018-01-08-at-16.57.30.png\" width=\"300\" alt=\"Mechanical Properties of Ultralow Density Graphene Oxide\/Polydimethylsiloxane Foams\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Woellner, Cristiano F.;  Owuor, Peter S.;  Li, Tong;  Vinod, Soumya;  Ozden, Sehmus;  Kosolwattana, Suppanat;  Bhowmick, Sanjit;  Duy, Luong X.;  Salvatierra, Rodrigo V.;  Wei, Bingqing;  Asif, Syed A. S.;  Tour, James M.;  Vajtai, Robert;  Lou, Jun;  Galv\u00e3o, Douglas S.;  Tiwary, Chandra S.;  Ajayan, Pulickel. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/dx.doi.org\/DOI: 10.1557\/adv.2018. 49\" title=\"Mechanical Properties of Ultralow Density Graphene Oxide\/Polydimethylsiloxane Foams\" target=\"blank\">Mechanical Properties of Ultralow Density Graphene Oxide\/Polydimethylsiloxane Foams<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">MRS Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 3, <\/span><span class=\"tp_pub_additional_number\">no. 1-2, <\/span><span class=\"tp_pub_additional_pages\">pp.  61-66, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_397\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('397','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_397\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('397','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_397\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('397','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=54#tppubs\" title=\"Show all publications which have a relationship to this tag\">foams<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=18#tppubs\" title=\"Show all publications which have a relationship to this tag\">Mechanical Properties<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_397\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Woellner2018c,<br \/>\r\ntitle = {Mechanical Properties of Ultralow Density Graphene Oxide\/Polydimethylsiloxane Foams},<br \/>\r\nauthor = {Cristiano F. Woellner and Peter S. Owuor and Tong Li and Soumya Vinod and Sehmus Ozden and Suppanat Kosolwattana and Sanjit Bhowmick and Luong X. Duy and Rodrigo V. Salvatierra and Bingqing Wei and Syed A. S. Asif and James M. Tour and Robert Vajtai and Jun Lou and Douglas S. Galv\u00e3o and Chandra S. Tiwary and Pulickel. M. Ajayan},<br \/>\r\nurl = {https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-ultralow-density-graphene-oxidepolydimethylsiloxane-foams\/BC2DC24B3DB5714759FC1EDC71BD9D05},<br \/>\r\ndoi = {DOI: 10.1557\/adv.2018. 49},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-01-18},<br \/>\r\njournal = {MRS Advances},<br \/>\r\nvolume = {3},<br \/>\r\nnumber = {1-2},<br \/>\r\npages = { 61-66},<br \/>\r\nabstract = {Low-density, highly porous graphene\/graphene oxide (GO) based-foams have shown high performance in energy absorption applications, even under high compressive deformations. In general, foams are very effective as energy dissipative materials and have been widely used in many areas such as automotive, aerospace and biomedical industries. In the case of graphene-based foams, the good mechanical properties are mainly attributed to the intrinsic graphene and\/or GO electronic and mechanical properties. Despite the attractive physical properties of graphene\/GO based-foams, their structural and thermal stabilities are still a problem for some applications. For instance, they are easily degraded when placed in flowing solutions, either by the collapsing of their layers or just by structural disintegration into small pieces. Recently, a new and scalable synthetic approach to produce low-density 3D macroscopic GO structure interconnected with polydimethylsiloxane (PDMS) polymeric chains (pGO) was proposed. A controlled amount of PDMS is infused into the freeze-dried foam resulting into a very rigid structure with improved mechanical properties, such as tensile plasticity and toughness. The PDMS wets the graphene oxide sheets and acts like a glue bonding PDMS and GO sheets. In order to obtain further insights on mechanisms behind the enhanced mechanical pGO response we carried out fully atomistic molecular dynamics (MD) simulations. Based on MD results, we build up a structural model that can explain the experimentally observed mechanical behavior.},<br \/>\r\nkeywords = {foams, Mechanical Properties, Molecular Dynamics},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('397','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_397\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Low-density, highly porous graphene\/graphene oxide (GO) based-foams have shown high performance in energy absorption applications, even under high compressive deformations. In general, foams are very effective as energy dissipative materials and have been widely used in many areas such as automotive, aerospace and biomedical industries. In the case of graphene-based foams, the good mechanical properties are mainly attributed to the intrinsic graphene and\/or GO electronic and mechanical properties. Despite the attractive physical properties of graphene\/GO based-foams, their structural and thermal stabilities are still a problem for some applications. For instance, they are easily degraded when placed in flowing solutions, either by the collapsing of their layers or just by structural disintegration into small pieces. Recently, a new and scalable synthetic approach to produce low-density 3D macroscopic GO structure interconnected with polydimethylsiloxane (PDMS) polymeric chains (pGO) was proposed. A controlled amount of PDMS is infused into the freeze-dried foam resulting into a very rigid structure with improved mechanical properties, such as tensile plasticity and toughness. The PDMS wets the graphene oxide sheets and acts like a glue bonding PDMS and GO sheets. In order to obtain further insights on mechanisms behind the enhanced mechanical pGO response we carried out fully atomistic molecular dynamics (MD) simulations. Based on MD results, we build up a structural model that can explain the experimentally observed mechanical behavior.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('397','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_397\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properties-of-ultralow-density-graphene-oxidepolydimethylsiloxane-foams\/BC2DC24B3DB5714759FC1EDC71BD9D05\" title=\"https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properti[...]\" target=\"_blank\">https:\/\/www.cambridge.org\/core\/journals\/mrs-advances\/article\/mechanical-properti[...]<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/DOI: 10.1557\/adv.2018. 49\" title=\"Follow DOI:DOI: 10.1557\/adv.2018. 49\" target=\"_blank\">doi:DOI: 10.1557\/adv.2018. 49<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('397','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_online\"><div class=\"tp_pub_number\">337.<\/div><div class=\"tp_pub_image_left\"><img decoding=\"async\" name=\"Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets\" src=\"https:\/\/sites.ifi.unicamp.br\/galvao\/files\/2018\/01\/Screen-Shot-2018-01-17-at-10.18.12.png\" width=\"300\" alt=\"Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets\" \/><\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Azevedo, David L.;  Bizao, Rafael A.;  Galvao, Douglas S.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" href=\"https:\/\/arxiv.org\/abs\/1801.05346\" title=\"https:\/\/arxiv.org\/abs\/1801.05346\" target=\"blank\">Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets<\/a> <span class=\"tp_pub_type tp_  online\">Online<\/span> <\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_year\">2018<\/span><span class=\"tp_pub_additional_note\">, (preprint arXiv:1801.05346)<\/span>.<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_406\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('406','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_406\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('406','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_406\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('406','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=1#tppubs\" title=\"Show all publications which have a relationship to this tag\">Fracture<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=5#tppubs\" title=\"Show all publications which have a relationship to this tag\">Molecular Dynamics<\/a>, <a rel=\"nofollow\" href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?tgid=206#tppubs\" title=\"Show all publications which have a relationship to this tag\">pentagraphene<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_406\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@online{Azevedo2018b,<br \/>\r\ntitle = {Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets},<br \/>\r\nauthor = {David L. Azevedo and Rafael A. Bizao and Douglas S. Galvao},<br \/>\r\nurl = {https:\/\/arxiv.org\/abs\/1801.05346},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-01-18},<br \/>\r\nabstract = {The superior mechanical properties and low density of carbon nanostructures make them promising ballistic protection materials, stimulating investigations on their high-strain-rate behavior. Recent experiments and simulations revealed graphene possesses exceptional energy absorption properties. In this work, we analyzed through fully atomistic molecular dynamics simulations the ballistic performance of a carbon-based material recently proposed named penta-graphene. Our results show that the fracture pattern is more spherical (no petals formation like observed for graphene). The estimated penetration energy for pentagraphene structures considered here was of 37.69 MJ\/Kg, far superior to graphene (29.8 MJ\/Kg) under same conditions. These preliminary results are suggestive that pentagraphene could be an excellent material for ballistic applications.},<br \/>\r\nnote = {preprint arXiv:1801.05346},<br \/>\r\nkeywords = {Fracture, Molecular Dynamics, pentagraphene},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {online}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('406','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_406\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The superior mechanical properties and low density of carbon nanostructures make them promising ballistic protection materials, stimulating investigations on their high-strain-rate behavior. Recent experiments and simulations revealed graphene possesses exceptional energy absorption properties. In this work, we analyzed through fully atomistic molecular dynamics simulations the ballistic performance of a carbon-based material recently proposed named penta-graphene. Our results show that the fracture pattern is more spherical (no petals formation like observed for graphene). The estimated penetration energy for pentagraphene structures considered here was of 37.69 MJ\/Kg, far superior to graphene (29.8 MJ\/Kg) under same conditions. These preliminary results are suggestive that pentagraphene could be an excellent material for ballistic applications.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('406','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_406\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-arxiv\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/arxiv.org\/abs\/1801.05346\" title=\"https:\/\/arxiv.org\/abs\/1801.05346\" target=\"_blank\">https:\/\/arxiv.org\/abs\/1801.05346<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('406','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><\/div><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">386 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 8 <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/publicacoes\/?limit=8&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><\/div>\n<p><a href=\"http:\/\/lattes.cnpq.br\/9138028556380501\" target=\"_blank\">Curriculum Lattes<\/a><\/p>\n<pre style=\"color: #000000\"><span style=\"color: #800000\"><a href=\"http:\/\/scholar.google.com\/citations?hl=en&amp;user=95SvbM8AAAAJ\" target=\"_blank\">http:\/\/scholar.google.com\/citations?hl=en&amp;user=95SvbM8AAAAJ<\/a><\/span><\/pre>\n<p>&nbsp;<\/p>\n<!-- AddThis Advanced Settings generic via filter on the_content --><!-- AddThis Share Buttons generic via filter on the_content -->","protected":false},"excerpt":{"rendered":"<p>Curriculum Lattes http:\/\/scholar.google.com\/citations?hl=en&amp;user=95SvbM8AAAAJ &nbsp;<!-- AddThis Advanced Settings generic via filter on wp_trim_excerpt --><!-- AddThis Share Buttons generic via filter on wp_trim_excerpt --><\/p>\n","protected":false},"author":75,"featured_media":0,"parent":0,"menu_order":1,"comment_status":"open","ping_status":"open","template":"template-onecolumn.php","meta":{"ngg_post_thumbnail":0,"footnotes":""},"class_list":["post-88","page","type-page","status-publish","hentry","nodate","item-wrap"],"_links":{"self":[{"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/pages\/88","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/users\/75"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/comments?post=88"}],"version-history":[{"count":20,"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/pages\/88\/revisions"}],"predecessor-version":[{"id":672,"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/pages\/88\/revisions\/672"}],"wp:attachment":[{"href":"https:\/\/sites.ifi.unicamp.br\/galvao\/en\/wp-json\/wp\/v2\/media?parent=88"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}