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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
作者:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong;  Chen, Xiaojia
Adobe PDF(3656Kb)  |  收藏  |  浏览/下载：31/0  |  提交时间：2023/07/17
Crystal structure prediction  First -principles calculations  Mg-Bi-Sb alloy  Active learning strategy  Unitcell modeling  
Constitutive behavior predictions of mushy zone during solidification by phase field model and coupled Eulerian-Lagrangian method 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 201, 页码: 6
作者:  Li, Longfei;  Zhang, Ruijie;  Wu XQ(吴先前);  Gu ZP(谷周澎);  Wang, Changsheng;  Jiang, Haitao
Adobe PDF(8355Kb)  |  收藏  |  浏览/下载：315/70  |  提交时间：2021/11/01
Phase Field Model  Mushy Zone  Constitutive Behavior  Coupled Eulerian-Lagrangian  
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：424/81  |  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：253/93  |  提交时间：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
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：472/109  |  提交时间：2019/04/11
Dislocation-based crystal plasticity  Polycrystalline metal  Grain size effect  Grain orientation effect  
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
作者:  Fu X Q;  Liang LH(梁立红);  Wei YG(魏悦广)
浏览  |  Adobe PDF(4995Kb)  |  收藏  |  浏览/下载：250/94  |  提交时间：2018/12/12
Metal/oxide interface  Interface stress  Interface shear displacement  Misfit dislocation  Atomistic simulation  
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：367/134  |  提交时间：2018/10/30
Failure Mechanism  Sandwich Structure  Molecular Dynamics  Thickness-dependence  Micro-void Nucleation  Dihedral Distribution  
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
作者:  You XM(尤雪梅);  Liang LH(梁立红);  Wei YG(魏悦广);  Liang, LH;  Wei, YG
浏览  |  Adobe PDF(1527Kb)  |  收藏  |  浏览/下载：385/124  |  提交时间：2017/12/18
Interface Fracture  Stress  Displacement  Molecular Simulation  
The roles of crosslinks in the buckling behaviors and load transferring mechanisms of double-walled nanotubes under compression 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 55, 页码: 95-99
作者:  Peng B;  Li Y;  Liu S(刘珅);  Guo ZY;  Ding L;  Peng, B;  Univ Elect Sci & Technol China, Dept Mech Engn, Chengdu 611731, Peoples R China.
Adobe PDF(873Kb)  |  收藏  |  浏览/下载：703/229  |  提交时间：2013/01/18
Carbon Nanotube  Molecular Dynamics  Crosslink  Buckling Behavior  Load Transfer  Carbon Nanotubes  Molecular-dynamics  Strength  Bundles  Composites  Simulation  Defects  Tensile  
Strength analysis of metallic bonded joints containing defects 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 53, 期号: 1, 页码: 444-450
作者:  Xu W(许巍);  Wei YG(魏悦广);  Xu, W;  Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Adobe PDF(837Kb)  |  收藏  |  浏览/下载：804/283  |  提交时间：2013/01/18
Finite Element Analysis  Cohesive Zone Model  Adhesively Bonded Joint  Defect  Single-lap Joints  Cohesive Zone Models  Automotive Industry  Mechanical-behavior  Adhesive Joints  Ductile Materials  Crack-growth  Simulation  Thickness  Fracture