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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
Authors:
Li LL
;
Shi JY
;
Peng L
;
Jiang W
;
Qian GA(钱桂安)
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Submit date:2019/12/17
First-principle
Helium pair
Migration
Bcc Fe
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)
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Submit date:2019/04/11
Energy minimization
Fast inertial relaxation engine method
Integration formulations
Molecular simulations
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
Authors:
You XM(尤雪梅)
;
Liang LH(梁立红)
;
Wei YG(魏悦广)
;
Liang, LH
;
Wei, YG
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Submit date:2017/12/18
Interface Fracture
Stress
Displacement
Molecular Simulation
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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Submit date:2017/11/29
Molecular Dynamics
Energy Minimization
Dislocation Evolution
Computational Efficiency
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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Submit date:2016/01/08
Nano-friction
Tilt Effect
Pile-up
Local Plasticity
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
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Submit date:2014/04/18
Molecular Dynamics
Nanocrystalline Metals
Hydrostatic Pressure