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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)
View  |  Adobe PDF(3150Kb)  |  Favorite  |  View/Download：443/84  |  Submit date：2019/12/17
Interface energy  Interface slip  Dislocation network  Atomistic simulation  
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：590/106  |  Submit date：2019/04/11
Energy minimization  Fast inertial relaxation engine method  Integration formulations  Molecular simulations