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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
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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
Authors:  Fu XQ(付雪琼);  Liang LH(梁立红);  Wei YG(魏悦广)
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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
Authors:  Yin QY(殷秋运);  Hu LL;  Wu XQ(吴先前);  Xiao KL(肖凯璐);  Huang CG(黄晨光)
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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：583/104  |  Submit date：2019/04/11
Energy minimization  Fast inertial relaxation engine method  Integration formulations  Molecular simulations  
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：387/140  |  Submit date：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
Authors:  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.
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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
Authors:  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.
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Graphene  Shale  Adsorption Isotherms  Adsorption Heat  Simulations  
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
Authors:  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.
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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
Authors:  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.
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Strain Rate Effect  Molecular Dynamics  Thermal Activation Model  Potential Landscapes  
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
Authors:  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
Adobe PDF(6206Kb)  |  Favorite  |  View/Download：637/200  |  Submit date：2014/04/18
Molecular Dynamics  Nanocrystalline Metals  Hydrostatic Pressure