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Formation and migration of helium pair in bcc Fe from first principle calculations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109192
作者:  Li LL;  Shi JY;  Peng L;  Jiang W;  Qian GA(钱桂安)
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First-principle  Helium pair  Migration  Bcc Fe  
Temperature-dependent phase transformation of ice-1h under ultrafast uniaxial compression: A molecular dynamics simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 162, 页码: 340-348
作者:  Yin QY(殷秋运);  Hu LL;  Wu XQ(吴先前);  Xiao KL(肖凯璐);  Huang CG(黄晨光)
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Ice  Phase transformation  Dynamic behaviour  Molecular dynamics  
Influence of integration formulations on the performance of the fast inertial relaxation engine (FIRE) method 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 156, 页码: 135-141
作者:  Shuang F(双飞);  Xiao P(肖攀);  Shi RH;  Ke FJ(柯孚久);  Bai YL(白以龙)
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Energy minimization  Fast inertial relaxation engine method  Integration formulations  Molecular simulations  
First principle study of the interaction and charge transfer between graphene and organic molecules 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 56, 页码: 79-84
作者:  Chi M(迟美);  Zhao YP(赵亚溥);  Zhao, YP;  Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Adobe PDF(867Kb)  |  收藏  |  浏览/下载:1509/943  |  提交时间:2013/01/18
First Principle Study  Graphene  Organic Molecules  Adsorption  Epitaxial Graphene  Suspended Graphene  Gas  
The roles of crosslinks in the buckling behaviors and load transferring mechanisms of double-walled nanotubes under compression 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 55, 页码: 95-99
作者:  Peng B;  Li Y;  Liu S(刘珅);  Guo ZY;  Ding L;  Peng, B;  Univ Elect Sci & Technol China, Dept Mech Engn, Chengdu 611731, Peoples R China.
Adobe PDF(873Kb)  |  收藏  |  浏览/下载:699/225  |  提交时间:2013/01/18
Carbon Nanotube  Molecular Dynamics  Crosslink  Buckling Behavior  Load Transfer  Carbon Nanotubes  Molecular-dynamics  Strength  Bundles  Composites  Simulation  Defects  Tensile