Publications

386 entries « 1 of 20 »
1. Malviya, Kirtman D; Oliveira, Eliezer F; Autreto, Pedro A S; Ajayan, Pulickel M; Galvao, D S; Tiwary, Candra S; Chattopadhyay, Kumanio : Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study. In: Journal of Physics D: Applied Physics, 52 (44), pp. 445304, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
2.de Sousa, Jose Moreira ; da Autreto, Pedro Silva ; Galvao, Douglas Soares : Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review). In: 2019. (Type: Journal Article | BibTeX)
3.de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS : Elastic Properties of Graphyne-based Nanotubes. 2019, (ArXiv preprint.). (Type: Online | Abstract | Links | BibTeX)
4. Fonseca, AF ; Dantas, SO ; Galvao, DS ; Zhang, D; Sinnott, SB : The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review). In: 2019. (Type: Journal Article | BibTeX)
5.de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS : Elastic Properties of Graphyne-Based Nanotubes. In: Computational Materials Science, 170 , pp. 109153, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
6. Rout Arpan; Gumaste, Anurag; Pandey Praful; Oliveira Eliezer; Demiss Solomon; Mahesh; Bhatt Chintan; Raphael Kiran; Ayyagari Ravi; Autreto Pedro; Palit Mithun; Femi Olu Emmanuel; Galvao Douglas; Arora Amit; Tiwary Chandra P: Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review). In: 2019. (Type: Journal Article | BibTeX)
7. Fonseca AF; Dantas, SO; Galvao DS; Zhang Sinnott SB D;: The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study. 2019, (ArXiv preprint). (Type: Online | Abstract | Links | BibTeX)
8. Fonseca AF; Dantas, SO; Galvao DS; Zhang Sinnott SB D;: The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review). In: 2019. (Type: Journal Article | BibTeX)
9. Routa, Arpan; Pandeyb, Praful; Oliveira, Eliezer Fernando; da Autreto, Pedro Alves Silva; Gumastea, Anurag; Singha, Amit; Galvao, Douglas Soares; Aroraa, Amit; Tiwary, Chandra Sekhar: Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction. In: Polymer, 169 , pp. 148-153, 2019. (Type: Journal Article | Abstract | BibTeX)
10. Oliveira Eliezer F; Autreto, Pedro AS; Woellner Cristiano Galvao Douglas F; S: On the mechanical properties of protomene: A theoretical investigation. In: Computational Materials Science, 161 , pp. 190-198, 2019. (Type: Journal Article | Abstract | BibTeX)
11. Jaques, Ygor M; Galvao, Douglas S: Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted). In: Journal of Molecular Liquids, 2019. (Type: Journal Article | Abstract | BibTeX)
12. Bhowmick Sanjit; Ozden, Sehmus; Bizão Rafael Machado Leonardo Dantas; Asif SA Syed; Pugno Nicola Galvao Douglas Tiwary Chandra Sekhar; Ajayan PM A; M; S;: High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures. In: Carbon, 142 , pp. 291-299, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
13. Solis, Daniel ; Damasceno Borges, Daiane ; Woellner, Cristiano ; Galvao, Douglas : Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper). In: ACS Applied Materials and Interfaces, 11 , pp. 2670−2676, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
14. Oliveira Eliezer F; Autreto, Pedro AS; Woellner Cristiano Galvao Douglas F; S: Mechanical Properties of Protomene: A Molecular Dynamics Investigation. In: MRS Advances, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
15. Collins Sean P; Perim, Eric; Daff Thomas Skaf Munir Galvao Douglas Soares; Woo Tom D; S; K: Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage. In: The Journal of Physical Chemistry C, 123 , pp. 1050-1058, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
16. Fonseca, Alexandre F; Galvao, Douglas S: Self-tearing and self-peeling of folded graphene nanoribbons. In: Carbon, 143 , pp. 230-239, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
17. Susarla, Sandhya; Manimunda, Praveena; Jaques, Ygor M; Hachtel, Jordan A; Idrobo, Juan C; Asif, Syed S A; Galvao, Douglas S; Tiwary, Chandrasekhar; Ajayan, Pulickel M: Strain induced structural deformation study of two dimensional MoxW(1-x)S2. In: Advanced Materials Interfaces (accepted), 2019. (Type: Journal Article | Abstract | BibTeX)
18. Park Ok-Kyung; Owuor, Peter; Morais Jaques Ygor; Lee Joong Hee; Kim Nam Hoon; Galvao Douglas; Lou Jun; Tiwary Chandra; Ajayan Pulickel : Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review). In: 2019. (Type: Journal Article | BibTeX)
19.de Sousa, JM ; Aguiar, AL ; Girao, EC ; Fonseca, Alexandre F; AG Filho, Souza ; Galvao, Douglas S: Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review). In: 2019. (Type: Journal Article | BibTeX)
20. 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: Elastic and ‘transparent bone’ as an electrochemical separator. In: Materials Chemistry Today, 12 , pp. 132-138, 2019. (Type: Journal Article | Abstract | Links | BibTeX)
386 entries « 1 of 20 »
386 entries « 1 of 8 »

2019

386.Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study

Malviya, Kirtman D; Oliveira, Eliezer F; Autreto, Pedro A S; Ajayan, Pulickel M; Galvao, D S; Tiwary, Candra S; Chattopadhyay, Kumanio

Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study Journal Article

Journal of Physics D: Applied Physics, 52 (44), pp. 445304, 2019.

Abstract | Links | BibTeX | Tags: Mechanical Properties, Metal, Molecular Dynamics

385.

de Sousa, Jose Moreira ; da Autreto, Pedro Silva ; Galvao, Douglas Soares

Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review) Journal Article

2019.

BibTeX | Tags: Carbon Nanotubes, Hydrogenation, Mechanical Properties, Molecular Dynamics

384.Elastic Properties of Graphyne-based Nanotubes

de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS

Elastic Properties of Graphyne-based Nanotubes Online

2019, (ArXiv preprint.).

Abstract | Links | BibTeX | Tags: DFT, Graphynes, Molecular Dynamics, Nanotubes

383.Elastic Properties of Graphyne-Based Nanotubes

de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS

Elastic Properties of Graphyne-Based Nanotubes Journal Article

Computational Materials Science, 170 , pp. 109153, 2019.

Abstract | Links | BibTeX | Tags: DFT, Graphynes, Molecular Dynamics, Nanotubes

382.

Fonseca, AF ; Dantas, SO ; Galvao, DS ; Zhang, D; Sinnott, SB

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review) Journal Article

2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

381.

Rout Arpan; Gumaste, Anurag; Pandey Praful; Oliveira Eliezer; Demiss Solomon; Mahesh; Bhatt Chintan; Raphael Kiran; Ayyagari Ravi; Autreto Pedro; Palit Mithun; Femi Olu Emmanuel; Galvao Douglas; Arora Amit; Tiwary Chandra P

Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review) Journal Article

2019.

BibTeX | Tags: Metal, Molecular Dynamics, Polymers

380.The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study

Fonseca AF; Dantas, SO; Galvao DS; Zhang Sinnott SB D;

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study Online

2019, (ArXiv preprint).

Abstract | Links | BibTeX | Tags: C60, Graphene, Molecular Dynamics

379.

Fonseca AF; Dantas, SO; Galvao DS; Zhang Sinnott SB D;

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review) Journal Article

2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

378.Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction

Routa, Arpan; Pandeyb, Praful; Oliveira, Eliezer Fernando; da Autreto, Pedro Alves Silva; Gumastea, Anurag; Singha, Amit; Galvao, Douglas Soares; Aroraa, Amit; Tiwary, Chandra Sekhar

Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction Journal Article

Polymer, 169 , pp. 148-153, 2019.

Abstract | BibTeX | Tags: Composites, Metal, Molecular Dynamics, Polymers

377.On the mechanical properties of protomene: A theoretical investigation

Oliveira Eliezer F; Autreto, Pedro AS; Woellner Cristiano Galvao Douglas F; S

On the mechanical properties of protomene: A theoretical investigation Journal Article

Computational Materials Science, 161 , pp. 190-198, 2019.

Abstract | BibTeX | Tags: Fracture, Mechanical Properties, Molecular Dynamics, protomene

376.Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted)

Jaques, Ygor M; Galvao, Douglas S

Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted) Journal Article

Journal of Molecular Liquids, 2019.

Abstract | BibTeX | Tags: droplets, Graphene, Impact Molecular Dynamics, water

375.High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures

Bhowmick Sanjit; Ozden, Sehmus; Bizão Rafael Machado Leonardo Dantas; Asif SA Syed; Pugno Nicola Galvao Douglas Tiwary Chandra Sekhar; Ajayan PM A; M; S;

High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures Journal Article

Carbon, 142 , pp. 291-299, 2019.

Abstract | Links | BibTeX | Tags: CNT, Fracture, Mechanical Properties, Molecular Dynamics

374.Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)

Solis, Daniel ; Damasceno Borges, Daiane ; Woellner, Cristiano ; Galvao, Douglas

Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper) Journal Article

ACS Applied Materials and Interfaces, 11 , pp. 2670−2676, 2019.

Abstract | Links | BibTeX | Tags: graphdiynes, Graphynes, Molecular Dynamics, Scrolls

373.Elastic and ‘transparent bone’ as an electrochemical separator

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

Elastic and ‘transparent bone’ as an electrochemical separator Journal Article

Materials Chemistry Today, 12 , pp. 132-138, 2019.

Abstract | Links | BibTeX | Tags: biomaterials, Bone, Characterization, electrodes, Modeling, Molecular Dynamics

372.

de Sousa, JM ; Aguiar, AL ; Girao, EC ; Fonseca, Alexandre F; AG Filho, Souza ; Galvao, Douglas S

Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review) Journal Article

2019.

BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

371.

Park Ok-Kyung; Owuor, Peter; Morais Jaques Ygor; Lee Joong Hee; Kim Nam Hoon; Galvao Douglas; Lou Jun; Tiwary Chandra; Ajayan Pulickel

Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review) Journal Article

2019.

BibTeX | Tags: Boron Nitride, carbon nanotube, Modeling

370.Strain induced structural deformation study of two dimensional MoxW(1-x)S2

Susarla, Sandhya; Manimunda, Praveena; Jaques, Ygor M; Hachtel, Jordan A; Idrobo, Juan C; Asif, Syed S A; Galvao, Douglas S; Tiwary, Chandrasekhar; Ajayan, Pulickel M

Strain induced structural deformation study of two dimensional MoxW(1-x)S2 Journal Article

Advanced Materials Interfaces (accepted), 2019.

Abstract | BibTeX | Tags:

369.Self-tearing and self-peeling of folded graphene nanoribbons

Fonseca, Alexandre F; Galvao, Douglas S

Self-tearing and self-peeling of folded graphene nanoribbons Journal Article

Carbon, 143 , pp. 230-239, 2019.

Abstract | Links | BibTeX | Tags: Fracture, Graphene, Mechanical Properties, Molecular Dynamics

368.Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage

Collins Sean P; Perim, Eric; Daff Thomas Skaf Munir Galvao Douglas Soares; Woo Tom D; S; K

Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage Journal Article

The Journal of Physical Chemistry C, 123 , pp. 1050-1058, 2019.

Abstract | Links | BibTeX | Tags: Gas Storage, Molecular Dynamics, Monte Carlo, Schwarzites, Scrolls

367.Mechanical Properties of Protomene: A Molecular Dynamics Investigation

Oliveira Eliezer F; Autreto, Pedro AS; Woellner Cristiano Galvao Douglas F; S

Mechanical Properties of Protomene: A Molecular Dynamics Investigation Journal Article

MRS Advances, 2019.

Abstract | Links | BibTeX | Tags: Fracture, Mechanical Properties, Molecular Dynamics, protomene

366.

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

Few-Wall Carbon Nanotube Coils (under review) Journal Article

2019.

BibTeX | Tags: Carbon Nanotubes, Molecular Dynamics, Nanocoils, Raman

2018

365.Mechanical Properties of Protomene: A Molecular Dynamics Investigation

Eliezer F Oliveira Pedro AS Autreto, Cristiano Woellner Douglas Galvao F S

Mechanical Properties of Protomene: A Molecular Dynamics Investigation Online

2018, (preprint arXiv:1810.09924v1 ).

Abstract | Links | BibTeX | Tags: Fracture, Mechanical Properties, Molecular Dynamics, protomene

364. Self-tearing and self-peeling of folded graphene nanoribbons

Alexandre F. Fonseca, Douglas Galvao S

Self-tearing and self-peeling of folded graphene nanoribbons Online

2018, (preprint arXiv:1808.08872).

Abstract | Links | BibTeX | Tags: Fracture, graphene nanoribbons, Mechanical Properties, Molecular Dynamics

363.Underwater Adhesive using Solid–liquid Polymer Mixes

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; Galvão, D S; Chipara, M; Lou, J; Tsang, H H; Dubey, M; Vajtai, R; Tiwary, C S; Ajayan, P M

Underwater Adhesive using Solid–liquid Polymer Mixes Journal Article

Materials Today Chemistry, 9 , pp. 149-157, 2018.

Abstract | Links | BibTeX | Tags: Adhesives, DFT, Molecular Dynamics, Polymer

362.On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation

Oliveira, Eliezer F; Autreto, Pedro A S; Woellner, Cristiano F; Galvao, Douglas S

On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation Journal Article

Carbon, 139 , pp. 782-788, 2018.

Abstract | Links | BibTeX | Tags: carbon allotropes, DFT, Molecular Dynamics, novamenes

361.Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications

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

Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications Journal Article

ACS Omega, 3 (6), pp. 6013–6021, 2018.

Abstract | Links | BibTeX | Tags: BN, Composites, Molecular Dynamics, sintering

360.Exfoliation of a non-van der Waals material from iron ore hematite

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

Exfoliation of a non-van der Waals material from iron ore hematite Journal Article

Nature Nanotechnology, 13 , pp. 602–610, 2018.

Abstract | Links | BibTeX | Tags: DFT, Hematene, Molecular Dynamics, van der Waals solids

359.Scale Effects on the Ballistic Penetration of Graphene Sheets

Bizao, Rafael A; Machado, Leonardo D; de Sousa, Jose M; Pugno, Nicola M; Galvao, Douglas S

Scale Effects on the Ballistic Penetration of Graphene Sheets Journal Article

Nature Scientific Reports, 8 , pp. 6750, 2018.

Abstract | Links | BibTeX | Tags: Fracture, Graphene, impact, Molecular Dynamics

358.Structural Properties of Nanodroplets Impacting Graphene at High Velocities

Jaques Ygor M.; Galvao, Douglas S

Structural Properties of Nanodroplets Impacting Graphene at High Velocities Online

2018, (Preprint ArXiv:1804.07784).

Abstract | Links | BibTeX | Tags: droplets, Graphene, Impact Molecular Dynamics, water

357.Liquid Exfoliation of Icosahedral Quasicrystals

Yadav Thakur P.; Woellner, Cristiano Sinha Shyam Sharifi Tiva; Apte Amey; Mukhopadhyay Nilay Srivastava Onkar Vajtai Robert; Galvao Douglas Tiwary Chandra Ajayan Pulickel F ; K ; K ; N ; S ; S ; M

Liquid Exfoliation of Icosahedral Quasicrystals Journal Article

Advanced Functional Materials, 2018 , pp. 1801181, 2018.

Abstract | Links | BibTeX | Tags: catalysis, Modeling, quasi-crystals

356.Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt

de Celina M Miyazaki Marco AE Maria, Daiane Damasceno Borges Cristiano Woellner Gustavo Brunetto Alexandre Fonseca Carlos JL Constantino Marcelo Pereira-da-Silva Abner Siervo Douglas Galvao Antonio Riul Jr F F A S

Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt Journal Article

Journal of Materials Science, 53 (14), pp. 10049-10056, 2018.

Abstract | Links | BibTeX | Tags: Molecular Dynamics, Polymers

355.On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation

Oliveira Eliezer F.; Autreto, Pedro Woellner Cristiano Galvao Douglas A S ; F ; S

On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation Online

2018, (preprint ArXiv:1804.07215).

Abstract | Links | BibTeX | Tags: carbon allotropes, DFT, Molecular Dynamics, novamenes

354.Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity

Devi, Manolata M; Dolai, N; S, Sreehala S; Jaques, Y M; Galvao, Douglas S; C.S.Tiwary, ; Sharma, Sudhanshu; Biswas, Krishanu

Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity Journal Article

Nanoscale, 10 , pp. 8840-8850, 2018.

Abstract | Links | BibTeX | Tags: alloys, Graphene, Modeling, Nanoparticles

353.Deformation Mechanisms of Vertically Stacked WS2 /MoS2 Heterostructures: The Role of Interfaces

Susarla Sandhya; Manimunda, Praveena; Morais Jaques Ygor; Hachtel Jordan; Idrobo Juan Carlos; Syed Amanulla Syed Asif; Galvao Douglas; Tiwary Chandra; Ajayan Pulickel

Deformation Mechanisms of Vertically Stacked WS2 /MoS2 Heterostructures: The Role of Interfaces Journal Article

ACS Nano, 12 (4), pp. 4036−4044, 2018.

Abstract | Links | BibTeX | Tags: Chalcogenides, Modeling

352.Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry

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; Galvão, Douglas S; Kabbani, Ahmad T; Tiwary, Chandra Sekhar; Ajayan, Pulickel M

Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry Journal Article

Carbon, 134 (8), pp. 491-499, 2018.

Abstract | Links | BibTeX | Tags: DFT, Graphene, Mechanochemistry, Molecular Dynamics

351.Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures

Solis, Daniel; Borges, Daiane D; Woellner, Cristiano F; Galvao, Douglas S

Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures Online

2018, visited: 02.03.2018, (preprint ArXiv: 1803.00154).

Abstract | Links | BibTeX | Tags: graphdiynes, Graphynes, molcular dynamics, Scrolls

350.Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2

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

Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2 Journal Article

MRS Advances, 3 (6-7), pp. 373-378, 2018.

Abstract | Links | BibTeX | Tags: Chalcogenides, Modeling

349.Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations

Zink, Stefan; Moura, Francisco Alirio; da Autreto, Pedro Alves Silva; Galvão, Douglas Soares; Mizaikoff, Boris

Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations Journal Article

Physical Chemistry Chemical Physics, 20 , pp. 13153–13158, 2018.

Abstract | Links | BibTeX | Tags: MIPs, Polymer, TIE

348.Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations

Zink, Stefan; Moura, Francisco Alirio; da Autreto, Pedro Alves Silva; Galvao, Douglas Soares; Mizaikoff, Boris

Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations Journal Article

Physical Chemistry Chemical Physics, 20 , pp. 13145-13152, 2018.

Abstract | Links | BibTeX | Tags: MIPs, Molecular Dynamics

347.Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions

de Cristiano F Woellner Leonardo D Machado, Pedro AS Autreto Jose Sousa M; Galvao, Douglas S

Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions Journal Article

Physical Chemistry Chemical Physics, 20 , pp. 4911-4916, 2018.

Abstract | Links | BibTeX | Tags: Fracture, impact, Molecular Dynamics, scroll

346.Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study

Borges, Daiane Damasceno; Galvao, Douglas S

Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study Journal Article

MRS Advances, 3 (1-2), pp. 115-120, 2018.

Abstract | Links | BibTeX | Tags: Gas Storage, Mechanical Properties, Molecular Dynamics, Monte Carlo, Schwarzites

345.Water/alcohol separation via layered oxide graphene membranes

Borges, Daiane Damasceno; Woellner, Cristiano F; Autreto, Pedro A S; Galvao, Douglas S

Water/alcohol separation via layered oxide graphene membranes Journal Article

MRS Advances, 3 (1-2), pp. 109-114, 2018.

Abstract | Links | BibTeX | Tags: Filtration, Graphene, Molecular Dynamics

344.Defect-Free Carbon Nanotube Coils

Shadmi, Nitzan; Kremen, Anna; Frenkel, Yiftach; Lapin, Zachary J; Machado, Leonardo D; Legoas, Sergio B; Bitton, Ora; Rechav, Katya; Popovitz-Biro, Ronit; Galvão, Douglas S; Jorio, Ado; Novotny, Lukas; Kalisky, Beena; Joselevich, Ernesto

Defect-Free Carbon Nanotube Coils Online

2018, (reprint Nano Letters v16, 2152 (2016)).

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Modeling, Nanocoils

343.On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation

Oliveira, Eliezer Fernando ; da Autreto, Pedro Alves Silva ; Galvao, Douglas Soares

On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation Journal Article

Journal of Materials Science, 53 (10), pp. 7486–7492, 2018.

Abstract | Links | BibTeX | Tags: Fracture, impact, Molecular Dynamics, silver

342.Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study

de Sousa, J M; Aguiar, A L; Girao, E C; Fonseca, Alexandre F; Filho, Souza A G; Galvao, Douglas S

Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study Journal Article

MRS Advances, 3 (1-2), pp. 97-102, 2018.

Abstract | Links | BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

341.Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors

Daiane Damasceno Borges Cristiano F Woellner, Pedro AS Autreto Douglas Galvao S

Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors Journal Article

Carbon, 127 , pp. 280-286, 2018.

Abstract | Links | BibTeX | Tags: Filtration, Graphene, Molecular Dynamics

340.Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation

Fonseca, Alexandre F; Galvao, Douglas S

Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation Journal Article

MRS Advances, 3 (8-9), pp. 460-465, 2018.

Abstract | Links | BibTeX | Tags: Fracture, Graphene, Molecular Dynamics

339.Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation

Woellner, Cristiano F; Botari, Tiago; Perim, Eric; Galvao, Douglas S

Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation Journal Article

MRS Advances, pp. 1-6, 2018.

Abstract | Links | BibTeX | Tags: Mechanical Properties, Molecular Dynamics, Schwarzites

338.Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams

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; Galvão, Douglas S; Tiwary, Chandra S; Ajayan, Pulickel. M

Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams Journal Article

MRS Advances, 3 (1-2), pp. 61-66, 2018.

Abstract | Links | BibTeX | Tags: foams, Mechanical Properties, Molecular Dynamics

337.Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets

Azevedo, David L; Bizao, Rafael A; Galvao, Douglas S

Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets Online

2018, (preprint arXiv:1801.05346).

Abstract | Links | BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

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