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An atomistic study on grain-size and temperature effects on mechanical properties of polycrystal CoCrFeNi high-entropy alloys 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2023, 卷号: 37, 页码: 11
作者:  Xie, Lu;  Wu, Guangda;  Peng Q(彭庆);  Liu, Junpeng;  Li, Dongyue;  Wang, Wenrui
Adobe PDF(18987Kb)  |  收藏  |  浏览/下载：64/2  |  提交时间：2024/01/02
High-entropy alloys  Grain size  Temperature  Twinning  Phase transition  
Atomistic insights into the influence of hydrogen on crack propagation in tungsten 期刊论文
FUSION ENGINEERING AND DESIGN, 2023, 卷号: 197, 页码: 11
作者:  Shi, Jun;  Li, Bingchen;  Li, Lei;  Liu, Yifan;  Fan, Xinyue;  Peng Q(彭庆);  Liang, Linyun;  Jin, Shuo;  Lu, Guanghong
Adobe PDF(27292Kb)  |  收藏  |  浏览/下载：104/1  |  提交时间：2023/12/11
Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten  
Element-dependent evolution of chemical short-range ordering tendency of NiCoFeCrMn under irradiation 期刊论文
INTERNATIONAL JOURNAL OF PLASTICITY, 2023, 卷号: 171, 页码: 15
作者:  Zhou, Yundi;  Shi, Tan;  Li, Jing;  Wu, Lu;  Peng Q(彭庆);  Lu, Chenyang
Adobe PDF(8104Kb)  |  收藏  |  浏览/下载：58/3  |  提交时间：2024/01/01
High-entropy alloys  Short-range order  Molecular dynamics  Kinetic Monte Carlo  Irradiation damage  
Assessment of the Interatomic Potentials of Beryllium for Mechanical Properties 期刊论文
CRYSTALS, 2023, 卷号: 13, 期号: 9, 页码: 19
作者:  Yang, Chengzhi;  Wu, Bin;  Deng, Wenmin;  Li, Shuzhen;  Jin, Jianfeng;  Peng Q(彭庆)
Adobe PDF(9145Kb)  |  收藏  |  浏览/下载：68/1  |  提交时间：2023/10/30
beryllium  molecular dynamics simulation  MEAM  Finnis-Sinclair and Tersoff potentials  
Hydrogen trapping in vanadium carbide alloyed with transition metals 期刊论文
NUCLEAR MATERIALS AND ENERGY, 2023, 卷号: 36, 页码: 11
作者:  Tang, Shuai;  Li, Linxian;  Yan, Haile;  Jin, Jianfeng;  Peng Q(彭庆);  Cai, Minghui;  Li, Jianping;  Liu, Zhenyu;  Wang, Guodong
Adobe PDF(7779Kb)  |  收藏  |  浏览/下载：57/2  |  提交时间：2023/11/28
Hydrogen barrier coating  Vanadium carbide  First-principles calculations  Transition-metal alloying  
Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2023, 卷号: 9, 期号: 1, 页码: 9
作者:  Yuan, Xiaoze;  Zhou, Yuwei;  Peng Q(彭庆);  Yang, Yong;  Li, Yongwang;  Wen, Xiaodong
Adobe PDF(1127Kb)  |  收藏  |  浏览/下载：92/3  |  提交时间：2023/03/20
First-principles insights into hydrogen trapping in interstitial-vacancy complexes in vanadium carbide 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 34, 页码: 20400-20408
作者:  Tang, Shuai;  Li, Lin-xian;  Peng Q(彭庆);  Yan, Hai-le;  Cai, Ming-hui;  Li, Jian-ping;  Liu, Zhen-yu;  Wang, Guo-dong
Adobe PDF(2433Kb)  |  收藏  |  浏览/下载：139/29  |  提交时间：2022/09/16
Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations 期刊论文
CERAMICS INTERNATIONAL, 2022, 卷号: 48, 期号: 12, 页码: 16813-16824
作者:  Jin, Yanan;  Huang, Hai;  Zhong, Yinghui;  Yuan, Xiaoting;  Li, Huan;  Lou, Ding;  Xie, Kun;  Liu, Zhongxia;  Cai, Bin;  Peng Q(彭庆)
Adobe PDF(19006Kb)  |  收藏  |  浏览/下载：174/34  |  提交时间：2022/08/22
Thermal management materials  Cu-diamond interface  Displacement cascades  Irradiation tolerance  Molecular dynamics  Spacecraft electronics  
Distinct point defect behaviours in body-centered cubic medium-entropy alloy NbZrTi induced by severe lattice distortion 期刊论文
ACTA MATERIALIA, 2022, 卷号: 229, 页码: 14
作者:  Shi T;  Su ZX;  Li J;  Liu CG;  Yang JX;  He XF;  Yun D;  Peng Q(彭庆);  Lu CY
Adobe PDF(3151Kb)  |  收藏  |  浏览/下载：170/64  |  提交时间：2022/07/18
Medium-entropy alloys  Point defect properties  First-principles calculations  Ion irradiation  Radiation resistance  
Tensile mechanical properties of CoCrFeNiTiAl high entropy alloy via molecular dynamics simulations 期刊论文
INTERMETALLICS, 2022, 卷号: 142, 页码: 7
作者:  Sun, Zhi Hui;  Zhang, Jie;  Xin, Gao Xin;  Xie, Lu;  Yang, Li Chun;  Peng Q(彭庆)
Adobe PDF(5779Kb)  |  收藏  |  浏览/下载：224/66  |  提交时间：2022/06/11
High-entropy alloy  Tensile mechanical properties  Temperature effect  Molecular dynamics