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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
Authors:  Xie, Lu;  Wu, Guangda;  Liaw, Peter K.;  Wang, Wenrui;  Li, Dongyue;  Peng Q(彭庆);  Zhang, Jie;  Zhang, Yong
Favorite  |  View/Download：121/0  |  Submit date：2023/12/11
High-entropy alloy  Temperature gradient  Stress distribution  Cooling rate  
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
Authors:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
Favorite  |  View/Download：59/0  |  Submit date：2024/02/05
Irida-graphene  Hydrogen storage  Titanium decoration  First-principles calculation  
Thermoelectric Properties of Mg3(Bi,Sb)2 under Finite Temperatures and Pressures: A First-Principles Study 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17
Authors:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Yuan XZ(袁晓泽);  Chen, XiaoJia
Favorite  |  View/Download：44/0  |  Submit date：2024/02/19
thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-vSbv  MatCloud