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Indexed By:SCI
Source Publication:COMPUTATIONAL MATERIALS SCIENCE
Language:英语
Community:非线性力学国家重点实验室
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Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260
Authors:
Peng Q(彭庆)
;
Yuan XZ(袁晓泽)
;
Zhao S(赵帅)
;
Zhou, Yuwei
;
Wen, Xiaodong
;
Chen, Xiaojia
Adobe PDF(3656Kb)
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View/Download:39/2
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Submit date:2023/07/17
Crystal structure prediction
First -principles calculations
Mg-Bi-Sb alloy
Active learning strategy
Unitcell modeling
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
Adobe PDF(5712Kb)
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View/Download:200/38
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Submit date: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
Authors:
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)
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Submit date:2021/04/07
Ni3Al
Complex stacking faults
Hardness
Twinning boundary
Molecular dynamics
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)
Adobe PDF(3150Kb)
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Submit date: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
Authors:
Li LL
;
Shi JY
;
Peng L
;
Jiang W
;
Qian GA(钱桂安)
Adobe PDF(1512Kb)
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Submit date:2019/12/17
First-principle
Helium pair
Migration
Bcc Fe
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
Authors:
Hu JQ(胡剑桥)
;
Zhuang Z
;
Liu FX
;
Liu XM(刘小明)
;
Liu ZL
Adobe PDF(1612Kb)
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Submit date: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
Authors:
Shuang F(双飞)
;
Xiao P(肖攀)
;
Shi RH
;
Ke FJ(柯孚久)
;
Bai YL(白以龙)
Adobe PDF(5768Kb)
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Submit date: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
Authors:
Fu X Q
;
Liang LH(梁立红)
;
Wei YG(魏悦广)
Adobe PDF(4995Kb)
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Submit date:2018/12/12
Metal/oxide interface
Interface stress
Interface shear displacement
Misfit dislocation
Atomistic simulation
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
Adobe PDF(1527Kb)
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Submit date:2017/12/18
Interface Fracture
Stress
Displacement
Molecular Simulation
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