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Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 231, 页码: 12
作者:  Xie, Lu;  Wu, Guangda;  Liaw, Peter K.;  Wang, Wenrui;  Li, Dongyue;  Peng Q(彭庆);  Zhang, Jie;  Zhang, Yong
收藏  |  浏览/下载：101/0  |  提交时间：2023/12/11
High-entropy alloy  Temperature gradient  Stress distribution  Cooling rate  
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  
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
作者:  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)
Adobe PDF(20162Kb)  |  收藏  |  浏览/下载：106/0  |  提交时间：2023/03/20
Pearlitic steels  Fracture  Crack  Dislocation nucleation  Molecular dynamics  
The effect of loading modes on the strain-dependent energy gap of CdTe quantum dots: A first-principles study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 217, 页码: 7
作者:  Wang JD(王俊刁);  Shi RH(史荣豪);  Xiao P(肖攀)
Adobe PDF(4283Kb)  |  收藏  |  浏览/下载：104/1  |  提交时间：2023/02/20
CdTe quantum dots  First-principles calculations  Strain-dependent energy gap  Loading modes  
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
作者:  Li, Yangen;  Du, Jun-Ping;  Yu, Peijun;  Li, Rui;  Shinzato, Shuhei;  Peng Q(彭庆);  Ogata, Shigenobu
Adobe PDF(15305Kb)  |  收藏  |  浏览/下载：100/35  |  提交时间：2022/10/23
High-entropy alloy  Radiation resistance  Chemical short-range order  Defects  
The mechanical property and micro-mechanism of nanoparticle-contained graphene foam materials under uniaxial tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 206, 页码: 8
作者:  Khan, Muhammad Bilal;  Wang C(王超);  Wang, Shuai;  Chen, Shaohua
Adobe PDF(6146Kb)  |  收藏  |  浏览/下载：147/34  |  提交时间：2022/07/18
Nanoparticles  Graphene foam  Uniaixal tension  Mechanical property  Micro-mechanism  Coarse-grained molecular dynamics  
Aggregation of nanoparticles and their effect on mechanical properties of carbon nanotube networks 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 202, 页码: 8
作者:  Wu, Yue;  Wang C(王超);  Yang T(杨田)
Adobe PDF(12531Kb)  |  收藏  |  浏览/下载：236/34  |  提交时间：2022/01/12
Carbon nanotube networks  Nanoparticles  Microstructure  Mechanical properties  Coarse-grained molecular dynamics  
Atomistic study of shock Hugoniot in columnar nanocrystalline copper 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 8
作者:  Hu JQ(胡剑桥);  Chen, Zhen
Adobe PDF(5712Kb)  |  收藏  |  浏览/下载：183/36  |  提交时间：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
作者:  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)  |  收藏  |  浏览/下载：328/37  |  提交时间：2021/04/07
Ni3Al  Complex stacking faults  Hardness  Twinning boundary  Molecular dynamics  
Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 187, 页码: 7
作者:  Zhang, Cun;  Yang, Bolin;  Wang C(王超);  Liu, Jinxi;  Feng, Wenjie;  Fang, Xueqian;  Chen, Shaohua
Adobe PDF(9380Kb)  |  收藏  |  浏览/下载：296/57  |  提交时间：2021/03/03
alpha-Graphyne nanotube  Brittle-ductile transition  Mechanical property  Temperature  Atomic structure evolution