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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  
Using graphene to simplify the adsorption of methane on shale in MD simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 133, 页码: 99-107
作者:  Lin K;  Yuan QZ(袁泉子);  Zhao YP(赵亚溥);  Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(2550Kb)  |  收藏  |  浏览/下载：500/215  |  提交时间：2017/07/24
Graphene  Shale  Adsorption Isotherms  Adsorption Heat  Simulations  
Effects of alloying on the behavior of B and S at Sigma 5 (210) grain boundary in gamma-Fe 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2016, 卷号: 115, 页码: 170-176
作者:  Li YP;  Han C;  Zhang CL;  Jia K;  Han PD;  Wu XL(武晓雷);  Li, YP;  Zhang, CL (reprint author), Taiyuan Univ Technol, 79 West Yingze St, Taiyuan 030024, Peoples R China.
浏览  |  Adobe PDF(1941Kb)  |  收藏  |  浏览/下载：422/100  |  提交时间：2016/03/21
Alloying  Impurities Segregation  Gamma-fe  Grain Boundary Cohesion  Dft  
Smaller critical size and enhanced strength by nano-laminated structure in nickel 期刊论文
Computational Materials Science, 2015, 卷号: 110, 页码: 83-90
作者:  Wang W;  Yuan FP(袁福平);  Wu XL(武晓雷);  Yuan, FP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(5161Kb)  |  收藏  |  浏览/下载：311/113  |  提交时间：2016/01/07
Molecular Dynamics  Dislocations  Grain Boundaries  Laminated Structure  Equiaxed Grain Structure  
Ploughing friction and nanohardness dependent on the tip tilt in nano-scratch test for single crystal gold 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 110, 页码: 54-61
作者:  Liu XM(刘小明);  Liu ZL;  Wei YG(魏悦广);  Liu, XM (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(4321Kb)  |  收藏  |  浏览/下载：362/158  |  提交时间：2016/01/08
Nano-friction  Tilt Effect  Pile-up  Local Plasticity  
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  
Stress effects on stability and diffusion behavior of sulfur impurity in nickel: A first-principles study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2014, 卷号: 90, 期号: 04, 页码: 137-142
作者:  Dong N;  Zhang CL;  Liu H;  Li J;  Wu XL(武晓雷);  Han PD;  Han, PD (reprint author), Taiyuan Univ Technol, Coll Mat Sci & Engn, 79 Yingze St, Taiyuan 030024, Peoples R China.
浏览  |  Adobe PDF(1505Kb)  |  收藏  |  浏览/下载：778/155  |  提交时间：2014/07/03
Nickel  Sulfur  First-principles  Diffusion  Stress Effect  
Size-dependent surface energy density of typically fcc metallic nanomaterials 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2014, 卷号: 82, 页码: 372-377
作者:  Zhang C(张存);  Yao Y(姚寅);  Chen SH(陈少华);  Chen, SH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Adobe PDF(1857Kb)  |  收藏  |  浏览/下载：824/335  |  提交时间：2014/02/13
Nanomaterials  Surface Energy Density  Surface Relaxation Parameter  Lagrangian Configuration  Eulerian Configuration  
Hydrostatic pressure effects on deformation mechanisms of nanocrystalline fcc metals 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2014, 卷号: 85, 期号: 1, 页码: 8-15
作者:  Yuan FP(袁福平);  Wu XL(武晓雷);  Yuan,FP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
浏览  |  Adobe PDF(6206Kb)  |  收藏  |  浏览/下载：622/200  |  提交时间：2014/04/18
Molecular Dynamics  Nanocrystalline Metals  Hydrostatic Pressure  
Application of the complex network method in solid-state sintering 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2013, 卷号: 69, 页码: 14-21
作者:  Wang C(王超);  Chen SH(陈少华);  Chen, SH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Adobe PDF(5440Kb)  |  收藏  |  浏览/下载：726/224  |  提交时间：2013/03/25
Solid-state Sintering  Complex Network  Discrete Element Method  Force Chain  Microstructure Evolution