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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
Authors:  Shuang F(双飞);  Xiao P(肖攀);  Shi RH;  Ke FJ(柯孚久);  Bai YL(白以龙)
Favorite  |  View/Download:25/0  |  Submit date:2019/04/11
Energy minimization  Fast inertial relaxation engine method  Integration formulations  Molecular simulations  
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
Authors:  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.
View  |  Adobe PDF(1760Kb)  |  Favorite  |  View/Download:133/29  |  Submit date:2017/11/29
Molecular Dynamics  Energy Minimization  Dislocation Evolution  Computational Efficiency  
Transition of mechanisms underlying the rate effects and its significance 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 98, 页码: 70-75
Authors:  Xiao P(肖攀);  Wang J(王军);  Yang R(杨荣);  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.
View  |  Adobe PDF(1741Kb)  |  Favorite  |  View/Download:237/77  |  Submit date:2015/03/17
Strain Rate Effect  Molecular Dynamics  Thermal Activation Model  Potential Landscapes