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 Journal Article

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

Abstract | Links | BibTeX

2.

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

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

In: 2019.

BibTeX

3.

JM; Sousa, Bizao

Elastic Properties of Graphyne-based Nanotubes Online

2019, (ArXiv preprint.).

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) Journal Article

In: 2019.

BibTeX

5.

JM; Sousa, Bizao

Elastic Properties of Graphyne-Based Nanotubes Journal Article

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

Abstract | Links | BibTeX

6.

Arpan; Gumaste Rout, Anurag; Pandey

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

In: 2019.

BibTeX

7.

AF; Dantas Fonseca, SO; Galvao

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

2019, (ArXiv preprint).

Abstract | Links | BibTeX

8.

AF; Dantas Fonseca, SO; Galvao

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

In: 2019.

BibTeX

9.

Routa, Arpan; Pandeyb, Praful; Oliveira, Eliezer Fernando; da Silva Autreto, Pedro Alves; 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

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

Abstract | BibTeX

10.

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

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

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

Abstract | BibTeX

11.

Jaques, Ygor M.; Galvao, Douglas S.

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

In: Journal of Molecular Liquids, 2019.

Abstract | BibTeX

12.

Sanjit; Ozden Bhowmick, Sehmus; Bizão

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

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

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) Journal Article

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

Abstract | Links | BibTeX

14.

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

Mechanical Properties of Protomene: A Molecular Dynamics Investigation Journal Article

In: MRS Advances, 2019.

Abstract | Links | BibTeX

15.

Sean P; Perim Collins, Eric; Daff

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

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

Abstract | Links | BibTeX

16.

Fonseca, Alexandre F.; Galvao, Douglas S.

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

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

Abstract | Links | BibTeX

17.

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.

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

In: Advanced Materials Interfaces (accepted), 2019.

Abstract | BibTeX

18.

Ok-Kyung; Owuor Park, Peter; Morais Jaques

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

In: 2019.

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) Journal Article

In: 2019.

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 Journal Article

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

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

In: 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; Autreto, Pedro da Silva; Galvao, Douglas Soares

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

In: 2019.

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

384.
Elastic Properties of Graphyne-based Nanotubes

JM; Sousa, Bizao

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

JM; Sousa, Bizao

Elastic Properties of Graphyne-Based Nanotubes Journal Article

In: 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

In: 2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

381.

Arpan; Gumaste Rout, Anurag; Pandey

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

In: 2019.

BibTeX | Tags: Metal, Molecular Dynamics, Polymers

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

AF; Dantas Fonseca, SO; Galvao

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.

AF; Dantas Fonseca, SO; Galvao

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

In: 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 Silva Autreto, Pedro Alves; 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

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

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

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

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

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

In: 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

In: 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

Sanjit; Ozden Bhowmick, Sehmus; Bizão

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

In: 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

In: 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

In: 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

In: 2019.

BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

371.

Ok-Kyung; Owuor Park, Peter; Morais Jaques

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

In: 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, S. A. Syed; Galvao, Douglas S.; Tiwary, Chandrasekhar; Ajayan, Pulickel M.

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

In: 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

In: 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

Sean P; Perim Collins, Eric; Daff

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

In: 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

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

Mechanical Properties of Protomene: A Molecular Dynamics Investigation Journal Article

In: 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

In: 2019.

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

2018

365.
Mechanical Properties of Protomene: A Molecular Dynamics Investigation

Pedro AS Autreto Eliezer F Oliveira, Cristiano F Woellner

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 S. Galvao

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

In: 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

In: 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

In: 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

In: 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

In: 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

Ygor M.; Galvao Jaques, 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

Thakur P.; Woellner Yadav, Cristiano F. ; Sinha

Liquid Exfoliation of Icosahedral Quasicrystals Journal Article

In: 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

Marco AE Maria Celina M Miyazaki, Daiane Damasceno Borges

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

In: 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

Eliezer F.; Autreto Oliveira, Pedro A. S. ; Woellner

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, M. Manolata; Dolai, N.; S, S. Sreehala; 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

In: 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

Sandhya; Manimunda Susarla, Praveena; Morais Jaques

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

In: 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

In: 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

In: 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 Silva Autreto, Pedro Alves; Galvão, Douglas Soares; Mizaikoff, Boris

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

In: 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 Silva Autreto, Pedro Alves; Galvao, Douglas Soares; Mizaikoff, Boris

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

In: 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

Leonardo D Machado Cristiano F Woellner, Pedro AS Autreto; Galvao, Douglas S

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

In: 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

In: 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

In: 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; Autreto, Pedro Alves da Silva; Galvao, Douglas Soares

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

In: 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, A. G. Souza; Galvao, Douglas S.

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

In: 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

Cristiano F Woellner Daiane Damasceno Borges, Pedro AS Autreto

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

In: 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

In: 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

In: 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

In: 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

386 entries « 1 of 8 »

Curriculum Lattes

http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ

 

Presentations

Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ  

Meetings

Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ