Molecular dynamics simulations of surface oxidation and of surface slip irreversibility under fatigue in oxygen environment

2017 ◽  
Vol 32 (23) ◽  
pp. 4327-4341 ◽  
Author(s):  
Zhengxuan Fan ◽  
Olivier Hardouin Duparc ◽  
Maxime Sauzay ◽  
Boubakar Diawara ◽  
Adri C.T. van Duin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Surface Oxidation ◽  
Oxygen Environment ◽  
Surface Slip ◽  
Dynamics Simulations ◽  
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Abstract

Investigation of thermal transport properties in pillared-graphene structure using nonequilibrium molecular dynamics simulations

2020 ◽  
Vol 10 (3) ◽  
pp. 506-511 ◽  
Author(s):  
Khaled Almahmoud ◽  
Thiruvillamalai Mahadevan ◽  
Nastaran Barhemmati-Rajab ◽  
Jincheng Du ◽  
Huseyin Bostanci ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Thermal Transport ◽  
Nonequilibrium Molecular Dynamics ◽  
Thermal Transport Properties ◽  
Dynamics Simulations ◽  
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Molecular dynamics simulations of montmorillonite reinforcing amylose plasticized by Brazilian Cerrado oils: polymer–clay nanocomposite

2018 ◽  
Vol 8 (02) ◽  
pp. 266-274 ◽  
Author(s):  
Felipe Azevedo Rios Silva ◽  
Maria José Araújo Sales ◽  
Mohamed Ghoul ◽  
Latifa Chebil ◽  
Guilherme Duarte Ramos Matos ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Brazilian Cerrado ◽  
Polymer Clay Nanocomposite ◽  
Dynamics Simulations ◽  
Image Position

Abstract

Molecular Dynamics Simulations of Surface Oxidation on Pt(111) and Pt/PtCo/Pt3Co(111)

2011 ◽  
Vol 115 (10) ◽  
pp. 4104-4113 ◽  
Author(s):  
Rafael Callejas-Tovar ◽  
Wenta Liao ◽  
Julibeth M. Martinez de la Hoz ◽  
Perla B. Balbuena
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Surface Oxidation ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Surface Oxidation on Pt and Pt/PtCo/Pt3Co Nanoparticles Supported over Carbon

2011 ◽  
Vol 115 (48) ◽  
pp. 23768-23777 ◽  
Author(s):  
Rafael Callejas-Tovar ◽  
Wenta Liao ◽  
Hilda Mera ◽  
Perla B. Balbuena
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Surface Oxidation ◽  
Dynamics Simulations
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