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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：73/2  |  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：113/3  |  提交时间：2023/12/11
Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten  
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：63/3  |  提交时间：2023/11/28
Hydrogen barrier coating  Vanadium carbide  First-principles calculations  Transition-metal alloying  
Surface modification of Fe5C2 by binding silica-based ligand: A theoretical explanation of enhanced C2 oxygenate selectivity 期刊论文
MOLECULAR CATALYSIS, 2023, 卷号: 547, 页码: 113333
作者:  Yin, Junqing;  Wang, Shuyuan;  Xu, Dan;  You, Yong;  Liu, Xingchen;  Peng Q(彭庆)
Adobe PDF(4229Kb)  |  收藏  |  浏览/下载：35/0  |  提交时间：2023/09/05
Surface modification  Iron carbide  Support -like ligand  Catalytic selectivity  Fischer-Tropsch Synthesis  
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：24/1  |  提交时间：2023/07/17
nickel-based alloys  hydrogen embrittlement  displacement cascades  hydrogen clusters  molecular dynamics  
Atomistic simulations of defect clustering evolution in heavily irradiated Ti35 alloy 期刊论文
VACUUM, 2023, 卷号: 211, 页码: 111952
作者:  Huang, Hai;  Ma, Longjingrui;  Liu, Tianci;  Cai, Bin;  Li, Huan;  Peng Q(彭庆)
Adobe PDF(6956Kb)  |  收藏  |  浏览/下载：45/1  |  提交时间：2023/04/20
Ti35 alloy  Heavy irradiation damage  Frenkel pair accumulation  Defect clustering  Tantalum enrichment  Molecular dynamics  
Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations 期刊论文
SURFACES AND INTERFACES, 2023, 卷号: 37, 页码: 102736
作者:  Huang, Hai;  Zhong, Yinghui;  Cai, Bin;  Wang, Jiefang;  Liu, Zhongxia;  Peng Q(彭庆)
Adobe PDF(3905Kb)  |  收藏  |  浏览/下载：43/1  |  提交时间：2023/06/15
Interfacial thermal transport  Cu -diamond composites  Size effects  Temperature effects  Non -equilibrium molecular dynamics