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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  
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)
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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)
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First-principle  Helium pair  Migration  Bcc Fe  
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：592/106  |  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：283/115  |  Submit date：2018/12/12
Metal/oxide interface  Interface stress  Interface shear displacement  Misfit dislocation  Atomistic simulation  
Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 315-324
Authors:  Meng CY(孟昶宇);  Liao LJ(廖丽涓);  Huang CG(黄晨光)
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Failure Mechanism  Sandwich Structure  Molecular Dynamics  Thickness-dependence  Micro-void Nucleation  Dihedral Distribution  
The atomistic simulation study of Ag/MgO interface tension fracture 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 142, 页码: 277-284
Authors:  You XM(尤雪梅);  Liang LH(梁立红);  Wei YG(魏悦广);  Liang, LH;  Wei, YG
View  |  Adobe PDF(1527Kb)  |  Favorite  |  View/Download：406/131  |  Submit date：2017/12/18
Interface Fracture  Stress  Displacement  Molecular 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  
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
Authors:  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.
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Nano-friction  Tilt Effect  Pile-up  Local Plasticity  
Size-dependent surface energy density of typically fcc metallic nanomaterials 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2014, 卷号: 82, 页码: 372-377
Authors:  Zhang C(张存);  Yao Y(姚寅);  Chen SH(陈少华);  Chen, SH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Adobe PDF(1857Kb)  |  Favorite  |  View/Download：843/343  |  Submit date：2014/02/13
Nanomaterials  Surface Energy Density  Surface Relaxation Parameter  Lagrangian Configuration  Eulerian Configuration