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Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 231, 页码: 12
作者:  Xie, Lu;  Wu, Guangda;  Liaw, Peter K.;  Wang, Wenrui;  Li, Dongyue;  Peng Q(彭庆);  Zhang, Jie;  Zhang, Yong
收藏  |  浏览/下载:107/0  |  提交时间:2023/12/11
High-entropy alloy  Temperature gradient  Stress distribution  Cooling rate  
Atomistic study of shock Hugoniot in columnar nanocrystalline copper 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 8
作者:  Hu JQ(胡剑桥);  Chen, Zhen
Adobe PDF(5712Kb)  |  收藏  |  浏览/下载:186/36  |  提交时间:2021/08/30
Shock Hugoniot  Molecular dynamics  Columnar nanocrystal  Size effect  Shielding effect  
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:330/37  |  提交时间:2021/04/07
Ni3Al  Complex stacking faults  Hardness  Twinning boundary  Molecular dynamics  
Influencing factors of droplet aggregation on hierarchical wedge-shaped functional surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 175, 页码: 7
作者:  Wang S(王帅);  Peng ZL(彭志龙);  Li JJ(李建军);  Yang YZ(杨亚政);  Wang C(王超);  Chen SH(陈少华)
Adobe PDF(4391Kb)  |  收藏  |  浏览/下载:261/110  |  提交时间:2020/05/18
Spontaneous droplet aggregation  Functional surface  Hierarchical wedge-shaped zone  Influencing factors  Water collection  
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)
Adobe PDF(1512Kb)  |  收藏  |  浏览/下载:254/94  |  提交时间:2019/12/17
First-principle  Helium pair  Migration  Bcc Fe  
Investigation of grain boundary and orientation effects in polycrystalline metals by a dislocation-based crystal plasticity model 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 159, 页码: 86-94
作者:  Hu JQ(胡剑桥);  Zhuang Z;  Liu FX;  Liu XM(刘小明);  Liu ZL
浏览  |  Adobe PDF(1612Kb)  |  收藏  |  浏览/下载:474/110  |  提交时间:2019/04/11
Dislocation-based crystal plasticity  Polycrystalline metal  Grain size effect  Grain orientation effect  
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)
浏览  |  Adobe PDF(5768Kb)  |  收藏  |  浏览/下载:549/95  |  提交时间:2019/04/11
Energy minimization  Fast inertial relaxation engine method  Integration formulations  Molecular simulations  
Atomistic simulation study on the shear behavior of Ag/MgO interface 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 155, 页码: 116-128
作者:  Fu X Q;  Liang LH(梁立红);  Wei YG(魏悦广)
浏览  |  Adobe PDF(4995Kb)  |  收藏  |  浏览/下载:253/96  |  提交时间:2018/12/12
Metal/oxide interface  Interface stress  Interface shear displacement  Misfit dislocation  Atomistic simulation  
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.
浏览  |  Adobe PDF(2550Kb)  |  收藏  |  浏览/下载:500/215  |  提交时间:2017/07/24
Graphene  Shale  Adsorption Isotherms  Adsorption Heat  Simulations  
Ploughing friction and nanohardness dependent on the tip tilt in nano-scratch test for single crystal gold 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 110, 页码: 54-61
作者:  Liu XM(刘小明);  Liu ZL;  Wei YG(魏悦广);  Liu, XM (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(4321Kb)  |  收藏  |  浏览/下载:362/158  |  提交时间:2016/01/08
Nano-friction  Tilt Effect  Pile-up  Local Plasticity