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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
Authors:  Xie, Lu;  Wu, Guangda;  Peng Q(彭庆);  Liu, Junpeng;  Li, Dongyue;  Wang, Wenrui
Adobe PDF(18987Kb)  |  Favorite  |  View/Download：83/2  |  Submit date：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
Authors:  Shi, Jun;  Li, Bingchen;  Li, Lei;  Liu, Yifan;  Fan, Xinyue;  Peng Q(彭庆);  Liang, Linyun;  Jin, Shuo;  Lu, Guanghong
Adobe PDF(27292Kb)  |  Favorite  |  View/Download：119/3  |  Submit date：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
Authors:  Zhou, Yundi;  Shi, Tan;  Li, Jing;  Wu, Lu;  Peng Q(彭庆);  Lu, Chenyang
Adobe PDF(8104Kb)  |  Favorite  |  View/Download：84/10  |  Submit date：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
Authors:  Yang, Chengzhi;  Wu, Bin;  Deng, Wenmin;  Li, Shuzhen;  Jin, Jianfeng;  Peng Q(彭庆)
Adobe PDF(9145Kb)  |  Favorite  |  View/Download：82/1  |  Submit date：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
Authors:  Tang, Shuai;  Li, Linxian;  Yan, Haile;  Jin, Jianfeng;  Peng Q(彭庆);  Cai, Minghui;  Li, Jianping;  Liu, Zhenyu;  Wang, Guodong
Adobe PDF(7779Kb)  |  Favorite  |  View/Download：72/7  |  Submit date：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
Authors:  Yuan, Xiaoze;  Zhou, Yuwei;  Peng Q(彭庆);  Yang, Yong;  Li, Yongwang;  Wen, Xiaodong
Adobe PDF(1127Kb)  |  Favorite  |  View/Download：106/7  |  Submit date：2023/03/20
Interfacial Characteristics of Graphene-Reinforced Iron Composites: A Molecular Dynamics Study 期刊论文
CRYSTALS, 2023, 卷号: 13, 期号: 1, 页码: 12
Authors:  Song, Miaomiao;  Jin, Jianfeng;  Wang, Lu;  Li, Shaojie;  Wang, Huiming;  Tang, Shuai;  Peng Q(彭庆)
Adobe PDF(3881Kb)  |  Favorite  |  View/Download：113/8  |  Submit date：2023/02/27
graphene-reinforced iron matrix composite  interfacial characteristic  molecular dynamics simulation  moire pattern  crystallographic orientation  
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
Authors:  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)  |  Favorite  |  View/Download：187/39  |  Submit date：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
Authors:  Shi T;  Su ZX;  Li J;  Liu CG;  Yang JX;  He XF;  Yun D;  Peng Q(彭庆);  Lu CY
Adobe PDF(3151Kb)  |  Favorite  |  View/Download：189/72  |  Submit date：2022/07/18
Medium-entropy alloys  Point defect properties  First-principles calculations  Ion irradiation  Radiation resistance