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Atomistic study of shock Hugoniot in columnar nanocrystalline copper 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 8
Authors:  Hu JQ(胡剑桥);  Chen, Zhen
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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
Authors:  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)  |  Favorite  |  View/Download：354/43  |  Submit date：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
Authors:  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)  |  Favorite  |  View/Download：291/120  |  Submit date：2020/05/18
Spontaneous droplet aggregation  Functional surface  Hierarchical wedge-shaped zone  Influencing factors  Water collection  
Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109151
Authors:  Fu XQ(付雪琼);  Liang LH(梁立红);  Wei YG(魏悦广)
View  |  Adobe PDF(3150Kb)  |  Favorite  |  View/Download：445/84  |  Submit date：2019/12/17
Interface energy  Interface slip  Dislocation network  Atomistic simulation  
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
Authors:  Li LL;  Shi JY;  Peng L;  Jiang W;  Qian GA(钱桂安)
View  |  Adobe PDF(1512Kb)  |  Favorite  |  View/Download：271/102  |  Submit date：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
Authors:  Hu JQ(胡剑桥);  Zhuang Z;  Liu FX;  Liu XM(刘小明);  Liu ZL
View  |  Adobe PDF(1612Kb)  |  Favorite  |  View/Download：496/118  |  Submit date：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
Authors:  Shuang F(双飞);  Xiao P(肖攀);  Shi RH;  Ke FJ(柯孚久);  Bai YL(白以龙)
View  |  Adobe PDF(5768Kb)  |  Favorite  |  View/Download：599/108  |  Submit date：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
Authors:  Fu X Q;  Liang LH(梁立红);  Wei YG(魏悦广)
View  |  Adobe PDF(4995Kb)  |  Favorite  |  View/Download：284/115  |  Submit date：2018/12/12
Metal/oxide interface  Interface stress  Interface shear displacement  Misfit dislocation  Atomistic simulation  
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：356/112  |  Submit date：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
Authors:  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.
View  |  Adobe PDF(2550Kb)  |  Favorite  |  View/Download：546/224  |  Submit date：2017/07/24
Graphene  Shale  Adsorption Isotherms  Adsorption Heat  Simulations