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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：71/2  |  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：108/2  |  提交时间：2023/12/11
Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten  
Collision integrals of electronically excited atoms in air plasmas. I. N-N and O-O interactions 期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2023, 卷号: 32, 期号: 12, 页码: 28
作者:  Zhao WS(赵文胜);  Hong QZ(洪启臻);  Yang, Chao;  Sun QH(孙泉华);  Hu Y(胡远)
Adobe PDF(1803Kb)  |  收藏  |  浏览/下载：43/1  |  提交时间：2024/01/02
collision integrals  potential energy curves  air plasmas  N-N and O-O interactions  electronic excitation  
Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE 期刊论文
ANNALS OF NUCLEAR ENERGY, 2023, 卷号: 192, 页码: 109983
作者:  Xie, Lu;  DaWu, Guang;  Peng Q(彭庆);  Wang, WenRui
Adobe PDF(23653Kb)  |  收藏  |  浏览/下载：67/2  |  提交时间：2023/09/05
FeCrAl alloy  Lead-bismuth eutectic  Dissolution and diffusion  Solid-liquid interface  Molecular dynamics  
Theoretical Exploration of Properties of Iron-Silicon Interface Constructed by Depositing Fe on Si(111)-(7x7) 期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 20, 页码: 13
作者:  Yin, JunQing;  Zhang, YanPing;  You, Yong;  Wang, ZhenHua;  Zhao, JianQiang;  Peng Q(彭庆)
Adobe PDF(5466Kb)  |  收藏  |  浏览/下载：67/2  |  提交时间：2023/11/28
iron  Si(111)-(7x7)  iron-silicon interface  CO adsorption  density functional theory  
Growth Anisotropy and Morphology Evolution of Line Defects in Monolayer MoS2: Atomic-Level Observation, Large-Scale Statistics, and Mechanism Understanding 期刊论文
SMALL, 2023, 页码: 11
作者:  Li, Shouheng;  Lin JG(林金国);  Chen, Yun;  Luo, Zheng;  Cheng, Haifeng;  Liu F(刘峰);  Zhang, Jin;  Wang, Shanshan
Adobe PDF(3735Kb)  |  收藏  |  浏览/下载：82/1  |  提交时间：2023/10/23
2D materials  AC-transmission electron microscopy (TEM)  growth anisotropy  line defects  morphology  MoS2  
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：61/2  |  提交时间：2023/11/28
Hydrogen barrier coating  Vanadium carbide  First-principles calculations  Transition-metal alloying  
Chemical inhomogeneity inhibits grain boundary fracture: A comparative study in CrCoNi medium entropy alloy 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 153, 页码: 228-241
作者:  Cao FH(曹富华);  Chen Y(陈艳);  Wang HY(汪海英);  Dai LH(戴兰宏)
Adobe PDF(9353Kb)  |  收藏  |  浏览/下载：137/1  |  提交时间：2023/04/20
Fracture  Chemical inhomogeneity  Grain boundary  Medium entropy alloy  
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：34/0  |  提交时间：2023/07/17
Crystal structure prediction  First -principles calculations  Mg-Bi-Sb alloy  Active learning strategy  Unitcell modeling  
The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 12, 页码: 4296
作者:  Yuan, Xiaoting;  Huang, Hai;  Zhong, Yinghui;  Cai, Bin;  Liu, Zhongxia;  Peng Q(彭庆)
Adobe PDF(8741Kb)  |  收藏  |  浏览/下载：23/0  |  提交时间：2023/07/17
nickel-based alloys  hydrogen embrittlement  displacement cascades  hydrogen clusters  molecular dynamics