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The effect of loading modes on the strain-dependent energy gap of CdTe quantum dots: A first-principles study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 217, 页码: 7
作者:  Wang JD(王俊刁);  Shi RH(史荣豪);  Xiao P(肖攀)
Adobe PDF(4283Kb)  |  收藏  |  浏览/下载：102/0  |  提交时间：2023/02/20
CdTe quantum dots  First-principles calculations  Strain-dependent energy gap  Loading modes  
Hardening Ni3Al via complex stacking faults and twinning boundary 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 8
作者:  Zhang ZW(张志伟);  Fu, Qiang;  Wang J(王军);  Xiao P(肖攀);  Ke FJ(柯孚久);  Lu CS(卢春生)
Adobe PDF(11488Kb)  |  收藏  |  浏览/下载：326/36  |  提交时间：2021/04/07
Ni3Al  Complex stacking faults  Hardness  Twinning boundary  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)
Adobe PDF(5768Kb)  |  收藏  |  浏览/下载：541/93  |  提交时间：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
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：324/98  |  提交时间：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
作者:  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.
Adobe PDF(1741Kb)  |  收藏  |  浏览/下载：283/90  |  提交时间：2015/03/17
Strain Rate Effect  Molecular Dynamics  Thermal Activation Model  Potential Landscapes