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| The mechanical property and micro-mechanism of nanoparticle-contained graphene foam materials under uniaxial tension 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 206, 页码: 8 作者: Khan, Muhammad Bilal; Wang C(王超); Wang, Shuai; Chen, Shaohua Adobe PDF(6146Kb)  |  收藏  |  浏览/下载:151/36  |  提交时间:2022/07/18 Nanoparticles Graphene foam Uniaixal tension Mechanical property Micro-mechanism Coarse-grained molecular dynamics |
| 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 |
| Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 187, 页码: 7 作者: Zhang, Cun; Yang, Bolin; Wang C(王超); Liu, Jinxi; Feng, Wenjie; Fang, Xueqian; Chen, Shaohua Adobe PDF(9380Kb)  |  收藏  |  浏览/下载:298/57  |  提交时间:2021/03/03 alpha-Graphyne nanotube Brittle-ductile transition Mechanical property Temperature Atomic structure evolution |
| 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 |
| 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 |
| 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 作者: Hu JQ(胡剑桥); Zhuang Z; Liu FX; Liu XM(刘小明); Liu ZL 浏览  |  Adobe PDF(1612Kb)  |  收藏  |  浏览/下载:474/110  |  提交时间: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 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:549/95  |  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:370/135  |  提交时间:2018/10/30 Failure Mechanism Sandwich Structure Molecular Dynamics Thickness-dependence Micro-void Nucleation Dihedral Distribution |