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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
Authors:  Xie, Lu;  Wu, Guangda;  Liaw, Peter K.;  Wang, Wenrui;  Li, Dongyue;  Peng Q(彭庆);  Zhang, Jie;  Zhang, Yong
Favorite  |  View/Download：122/0  |  Submit date：2023/12/11
High-entropy alloy  Temperature gradient  Stress distribution  Cooling rate  
Chemical ordering effect on the radiation resistance of a CoNiCrFeMn high-entropy alloy 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 214, 页码: 111764
Authors:  Li, Yangen;  Du, Jun-Ping;  Yu, Peijun;  Li, Rui;  Shinzato, Shuhei;  Peng Q(彭庆);  Ogata, Shigenobu
Adobe PDF(15305Kb)  |  Favorite  |  View/Download：114/42  |  Submit date：2022/10/23
High-entropy alloy  Radiation resistance  Chemical short-range order  Defects  
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
Adobe PDF(5712Kb)  |  Favorite  |  View/Download：197/37  |  Submit date：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
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：351/43  |  Submit date：2021/04/07
Ni3Al  Complex stacking faults  Hardness  Twinning boundary  Molecular dynamics  
Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 187, 页码: 7
Authors:  Zhang, Cun;  Yang, Bolin;  Wang C(王超);  Liu, Jinxi;  Feng, Wenjie;  Fang, Xueqian;  Chen, Shaohua
Adobe PDF(9380Kb)  |  Favorite  |  View/Download：316/62  |  Submit date：2021/03/03
alpha-Graphyne nanotube  Brittle-ductile transition  Mechanical property  Temperature  Atomic structure evolution  
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：438/83  |  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：267/100  |  Submit date：2019/12/17
First-principle  Helium pair  Migration  Bcc Fe  
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：277/110  |  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.
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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：540/222  |  Submit date：2017/07/24
Graphene  Shale  Adsorption Isotherms  Adsorption Heat  Simulations