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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  
Emergent failure transition of pearlitic steel at extremely high strain rates 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 219, 页码: 13
作者:  Liang LW(梁伦伟);  Dai SC(戴仕诚);  Chen Y(陈艳);  Wang HY(汪海英);  Wang YJ(王云江);  Dai LH(戴兰宏)
Adobe PDF(20162Kb)  |  收藏  |  浏览/下载:106/0  |  提交时间:2023/03/20
Pearlitic steels  Fracture  Crack  Dislocation nucleation  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  
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  
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  
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  
Efficiency and fidelity of molecular simulations relevant to dislocation evolutions 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 139, 页码: 266-272
作者:  Shuang F(双飞);  Xiao P(肖攀);  Ke FJ(柯孚久);  Bai YL(白以龙);  Xiao, P (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(1760Kb)  |  收藏  |  浏览/下载:327/99  |  提交时间:2017/11/29
Molecular Dynamics  Energy Minimization  Dislocation Evolution  Computational Efficiency  
Transition of mechanisms underlying the rate effects and its significance 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 98, 页码: 70-75
作者:  Xiao P(肖攀);  Wang J(王军);  Yang R(杨荣);  Ke FJ(柯孚久);  Bai YL(白以龙);  Xiao, P (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(1741Kb)  |  收藏  |  浏览/下载:283/90  |  提交时间:2015/03/17
Strain Rate Effect  Molecular Dynamics  Thermal Activation Model  Potential Landscapes