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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  
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)
Adobe PDF(5768Kb)  |  Favorite  |  View/Download：581/104  |  Submit date：2019/04/11
Energy minimization  Fast inertial relaxation engine method  Integration formulations  Molecular simulations