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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 作者: Xie, Lu; Wu, Guangda; Liaw, Peter K.; Wang, Wenrui; Li, Dongyue; Peng Q(彭庆); Zhang, Jie; Zhang, Yong 收藏  |  浏览/下载:107/0  |  提交时间: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 作者: Hu JQ(胡剑桥); Chen, Zhen Adobe PDF(5712Kb)  |  收藏  |  浏览/下载:186/36  |  提交时间: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 作者: 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)  |  收藏  |  浏览/下载:330/37  |  提交时间: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 作者: Fu XQ(付雪琼); Liang LH(梁立红); Wei YG(魏悦广) 浏览  |  Adobe PDF(3150Kb)  |  收藏  |  浏览/下载:425/81  |  提交时间: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 作者: Li LL; Shi JY; Peng L; Jiang W; Qian GA(钱桂安) 浏览  |  Adobe PDF(1512Kb)  |  收藏  |  浏览/下载:254/94  |  提交时间: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 作者: Yin QY(殷秋运); Hu LL; Wu XQ(吴先前); Xiao KL(肖凯璐); Huang CG(黄晨光) 浏览  |  Adobe PDF(5581Kb)  |  收藏  |  浏览/下载:276/72  |  提交时间: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 作者: Shuang F(双飞); Xiao P(肖攀); Shi RH; Ke FJ(柯孚久); Bai YL(白以龙) 浏览  |  Adobe PDF(5768Kb)  |  收藏  |  浏览/下载:548/94  |  提交时间: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 作者: Fu X Q; Liang LH(梁立红); Wei YG(魏悦广) 浏览  |  Adobe PDF(4995Kb)  |  收藏  |  浏览/下载:253/96  |  提交时间: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 作者: Meng CY(孟昶宇); Liao LJ(廖丽涓); Huang CG(黄晨光) 浏览  |  Adobe PDF(3952Kb)  |  收藏  |  浏览/下载:369/134  |  提交时间: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 作者: You XM(尤雪梅); Liang LH(梁立红); Wei YG(魏悦广); Liang, LH; Wei, YG 浏览  |  Adobe PDF(1527Kb)  |  收藏  |  浏览/下载:386/124  |  提交时间:2017/12/18 Interface Fracture Stress Displacement Molecular Simulation |