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Origin of the distinct site occupations of H atom in hcp Ti and Zr/Hf 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 91, 页码: 933-941
作者:  Yang, Fan-Xi;  Zhu, Yi-Fei;  Cao, Shuo;  Wang, Chao-Ming;  Ma, Ying-Jie;  Yang, Rui;  Hu, Qing-Miao
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
hcp metals  Hydrogen embrittlement  Hydrogen storage  DFT calculations  Site occupation of H  
Insights into the formation of titanium hydrides from first principles calculations 期刊论文
ACTA MATERIALIA, 2024, 卷号: 272, 页码: 9
作者:  Wang, Chao-Ming;  Cao, Shuo;  Yang, Fan-Xi;  Ma, Ying-Jie;  Su, Hang;  Fu, An-Qing;  Zhang, Shang-Zhou;  Yang, Rui;  Hu, Qing-Miao
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Hydrogen embrittlement  Titanium alloy  Titanium hydride  First-principles calculations  
Precipitation Strengthening in Titanium Alloys from First Principles Investigation 期刊论文
ACTA METALLURGICA SINICA, 2024, 卷号: 60, 期号: 4, 页码: 537-547
作者:  Cheng Kun;  Chen Shuming;  Cao Shuo;  Liu Jianrong;  Ma Yingjie;  Fan Qunbo;  Cheng Xingwang;  Yang Rui;  Hu Qingmiao
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
first principles  titanium alloy  elastic modulus  precipitation strengthening  strength  
Spontaneous symmetry breaking of substitutional solute atoms in dilute a-Ti solid solutions 期刊论文
PHYSICAL REVIEW MATERIALS, 2023, 卷号: 7, 期号: 8, 页码: 10
作者:  Chen, Shu-Ming;  Gao, Yang;  Yu, Zi-Han;  Liang, Bi-Ning;  Cao, Shuo;  Yang, Rui;  Hu, Qing-Miao
收藏  |  浏览/下载：7/0  |  提交时间：2024/01/08
Influence of Nonmetallic Interstitials on the Phase Transformation between FCC and HCP Titanium: A Density Functional Theory Study 期刊论文
METALS, 2022, 卷号: 12, 期号: 10, 页码: 12
作者:  Yang, Mengmeng;  Hu, Jianan;  Cao, Shuo;  Feng, Guang;  Yang, Yi;  Liu, Renci;  Li, Shujun;  Zhao, Fu;  Feng, Aihan;  Hu, Qingmiao;  Huang, Aijun;  Wang, Hao
收藏  |  浏览/下载：58/0  |  提交时间：2023/05/09
titanium  interstitial  FCC phase  first-principles  
Influence of Nonmetallic Interstitials on the Phase Transformation between FCC and HCP Titanium: A Density Functional Theory Study 期刊论文
METALS, 2022, 卷号: 12, 期号: 10, 页码: 12
作者:  Yang, Mengmeng;  Hu, Jianan;  Cao, Shuo;  Feng, Guang;  Yang, Yi;  Liu, Renci;  Li, Shujun;  Zhao, Fu;  Feng, Aihan;  Hu, Qingmiao;  Huang, Aijun;  Wang, Hao
收藏  |  浏览/下载：46/0  |  提交时间：2023/05/09
titanium  interstitial  FCC phase  first-principles  
Alloying Effect on the Stability of Ti5Si3 from First-Principles Study 期刊论文
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2022, 页码: 8
作者:  Cao, Shuo;  Li, Yang;  Zhang, Lian-Ji;  Yang, Yan-Ting;  Liu, Jian-Rong;  Yang, Rui;  Hu, Qing-Miao
收藏  |  浏览/下载：124/0  |  提交时间：2022/07/01
alloying  creep resistance  DFT  enthalpy of solution  Ti5Si3  
Interaction between Al and other alloying atoms in alpha-Ti for designing high temperature titanium alloy 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 11
作者:  Cao, Shuo;  Zhang, Shang-Zhou;  Liu, Jian-Rong;  Li, Shu-Jun;  Sun, Tao;  Li, Jian-Ping;  Gao, Yang;  Yang, Rui;  Hu, Qing-Miao
收藏  |  浏览/下载：240/0  |  提交时间：2021/10/15
Titanium alloys  Thermal strength  Thermal stability  Interaction energy  First principles calculations  
Origin of the omega-Strengthening and Embrittlement in beta-Titanium Alloys: Insight from First Principles 期刊论文
PHYSICAL MESOMECHANICS, 2021, 卷号: 24, 期号: 5, 页码: 513-522
作者:  Cao, Sh;  Chen, W.;  Yang, R.;  Hu, Q-M
收藏  |  浏览/下载：102/0  |  提交时间：2021/12/09
titanium alloys  phase  embrittlement  generalized stacking fault energy  first-principles calculations  
New insights into omega-embrittlement in high misfit metastable beta-titanium alloys: Mechanically-driven omega-mediated amorphization 期刊论文
MATERIALS & DESIGN, 2021, 卷号: 205, 页码: 18
作者:  Chen, Wei;  Cao, Shuo;  Zhang, Jinyu;  Zha, You;  Hu, Qingmiao;  Sun, Jun
收藏  |  浏览/下载：134/0  |  提交时间：2021/10/15
Titanium alloys  omega-precipitates  Brittleness  Slip band  Amorphization