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| Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 231, 页码: 12
Authors: Xie, Lu; Wu, Guangda; Liaw, Peter K.; Wang, Wenrui; Li, Dongyue; Peng Q(彭庆); Zhang, Jie ; Zhang, Yong
  Favorite | View/Download：127/0 | Submit date：2023/12/11
High-entropy alloy Temperature gradient Stress distribution Cooling rate |
| 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
 Adobe PDF(5712Kb) | Favorite | View/Download：205/41 | Submit date：2021/08/30
Shock Hugoniot Molecular dynamics Columnar nanocrystal Size effect Shielding effect |
| Hardening Ni3Al via complex stacking faults and twinning boundary 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 8
Authors: Zhang ZW(张志伟); Fu, Qiang; Wang J(王军); Xiao P(肖攀); Ke FJ(柯孚久); Lu CS(卢春生)
Adobe PDF(11488Kb) | Favorite | View/Download：354/43 | Submit date：2021/04/07
Ni3Al Complex stacking faults Hardness Twinning boundary Molecular dynamics |
| 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：445/84 | 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)
View | Adobe PDF(1512Kb) | Favorite | View/Download：271/102 | 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)
View | Adobe PDF(5581Kb) | Favorite | View/Download：294/76 | Submit date：2019/05/29
Ice Phase transformation Dynamic behaviour Molecular dynamics |
| 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：594/107 | 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)
View | Adobe PDF(3952Kb) | Favorite | View/Download：389/140 | Submit date：2018/10/30
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：409/132 | Submit date：2017/12/18
Interface Fracture Stress Displacement Molecular Simulation |
