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| Emergent failure transition of pearlitic steel at extremely high strain rates 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 219, 页码: 13 Authors: Liang LW(梁伦伟); Dai SC(戴仕诚); Chen Y(陈艳) ; Wang HY(汪海英) ; Wang YJ(王云江) ; Dai LH(戴兰宏)![](/image/person.jpg)
Adobe PDF(20162Kb)  |   Favorite  |  View/Download:115/2  |  Submit date:2023/03/20 Pearlitic steels Fracture Crack Dislocation nucleation Molecular dynamics |
| Chemical ordering effect on the radiation resistance of a CoNiCrFeMn high-entropy alloy 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 214, 页码: 111764 Authors: Li, Yangen; Du, Jun-Ping; Yu, Peijun; Li, Rui; Shinzato, Shuhei; Peng Q(彭庆); Ogata, Shigenobu
Adobe PDF(15305Kb)  |   Favorite  |  View/Download:151/50  |  Submit date:2022/10/23 High-entropy alloy Radiation resistance Chemical short-range order Defects |
| 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![](/image/person.jpg)
Adobe PDF(5712Kb)  |   Favorite  |  View/Download:223/47  |  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)![](/image/person.jpg)
Adobe PDF(11488Kb)  |   Favorite  |  View/Download:374/50  |  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)![](/image/person.jpg)
Adobe PDF(3150Kb)  |   Favorite  |  View/Download:465/93  |  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)![](/image/person.jpg)
Adobe PDF(1512Kb)  |   Favorite  |  View/Download:293/114  |  Submit date:2019/12/17 First-principle Helium pair Migration Bcc Fe |
| 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)![](/image/person.jpg)
Adobe PDF(5581Kb)  |   Favorite  |  View/Download:311/81  |  Submit date:2019/05/29 Ice Phase transformation Dynamic behaviour Molecular dynamics |
| 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
View  |   Adobe PDF(1612Kb)  |   Favorite  |  View/Download:515/125  |  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)![](/image/person.jpg)
View  |   Adobe PDF(5768Kb)  |   Favorite  |  View/Download:653/113  |  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)![](/image/person.jpg)
View  |   Adobe PDF(4995Kb)  |   Favorite  |  View/Download:296/121  |  Submit date:2018/12/12 Metal/oxide interface Interface stress Interface shear displacement Misfit dislocation Atomistic simulation |