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Efficiency and fidelity of molecular simulations relevant to dislocation evolutions 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 139, 页码: 266-272
作者:  Shuang F(双飞);  Xiao P(肖攀);  Ke FJ(柯孚久);  Bai YL(白以龙);  Xiao, P (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Adobe PDF(1760Kb)  |  收藏  |  浏览/下载：326/99  |  提交时间：2017/11/29
Molecular Dynamics  Energy Minimization  Dislocation Evolution  Computational Efficiency  
Using graphene to simplify the adsorption of methane on shale in MD simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 133, 页码: 99-107
作者:  Lin K;  Yuan QZ(袁泉子);  Zhao YP(赵亚溥);  Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Adobe PDF(2550Kb)  |  收藏  |  浏览/下载：490/213  |  提交时间：2017/07/24
Graphene  Shale  Adsorption Isotherms  Adsorption Heat  Simulations