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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)![](/image/person.jpg)
View  |   Adobe PDF(3150Kb)  |   Favorite  |  View/Download:451/86  |  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)![](/image/person.jpg)
View  |   Adobe PDF(1512Kb)  |   Favorite  |  View/Download:282/109  |  Submit date:2019/12/17 First-principle Helium pair Migration Bcc Fe |
| Temperature-dependent phase transformation of ice-1h under ultrafast uniaxial compression: A molecular dynamics simulation 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 162, 页码: 340-348 Authors: Yin QY(殷秋运); Hu LL; Wu XQ(吴先前) ; Xiao KL(肖凯璐) ; Huang CG(黄晨光)![](/image/person.jpg)
View  |   Adobe PDF(5581Kb)  |   Favorite  |  View/Download:300/77  |  Submit date:2019/05/29 Ice Phase transformation Dynamic behaviour Molecular dynamics |
| 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:501/120  |  Submit date:2019/04/11 Dislocation-based crystal plasticity Polycrystalline metal Grain size effect Grain orientation effect |
| 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)![](/image/person.jpg)
View  |   Adobe PDF(5768Kb)  |   Favorite  |  View/Download:618/109  |  Submit date:2019/04/11 Energy minimization Fast inertial relaxation engine method Integration formulations Molecular simulations |