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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  
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：502/120  |  Submit date：2019/04/11
Dislocation-based crystal plasticity  Polycrystalline metal  Grain size effect  Grain orientation effect  
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：361/115  |  Submit date：2017/11/29
Molecular Dynamics  Energy Minimization  Dislocation Evolution  Computational Efficiency  
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：854/348  |  Submit date：2014/02/13
Nanomaterials  Surface Energy Density  Surface Relaxation Parameter  Lagrangian Configuration  Eulerian Configuration