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Structures and energetics of multiple helium atoms in a tungsten monovacancy

期刊论文

JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 561
作者:  Song, Chi;  Hou, Jie;  Kong, Xiang-Shan;  Chen, L.;  Wang, Sake;  Liu, C. S.
收藏  |  浏览/下载:47/0  |  提交时间:2022/12/23
Helium cluster  Vacancy  Tungsten  Atomistic structure  ab initio molecular dynamics  
Accurate prediction of vacancy cluster structures and energetics in bcc transition metals 期刊论文
ACTA MATERIALIA, 2021, 卷号: 211
作者:  Hou, Jie;  You, Yu-Wei;  Kong, Xiang-Shan;  Song, Jun;  Liu, C. S.
收藏  |  浏览/下载:55/0  |  提交时间:2021/08/30
Nanovoid  bcc Metal  Multi-scale modelling  Crystal defects  
Investigation of the dissolution and diffusion properties of interstitial oxygen at grain boundaries in body-centered-cubic iron by the first-principles study 期刊论文
RSC ADVANCES, 2021, 卷号: 11
作者:  Liu, Zhijie;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun;  Wu, Xuebang;  Liu, Changsong;  Kong, Xiangshan;  Yao, Cunfeng;  Wang, Zhiguang
收藏  |  浏览/下载:60/0  |  提交时间:2021/05/10
Robust activation energy predictions of solute diffusion from machine learning method 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 184
作者:  He, Kang-ni;  Kong, Xiang-shan;  Liu, C. S.
收藏  |  浏览/下载:45/0  |  提交时间:2020/11/30
Diffusion  Activation energy  Machine learning  Support vector machine  
The in fluence of transition metal solutes on the dissolution and diffusion of oxygen in tungsten 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 537
作者:  He, Kang-ni;  Song, Chi;  Hou, Jie;  Xu, Yi-Chun;  You, Yu-Wei;  Kong, Xiang-Shan;  Liu, C. S.
收藏  |  浏览/下载:39/0  |  提交时间:2020/10/21
Trends in transition metal solute diffusion in metals: The case of tungsten 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 179
作者:  Kong, Xiang-shan;  He, Kang-ni;  Hou, Jie;  Zhang, T.;  Liu, C. S.
收藏  |  浏览/下载:54/0  |  提交时间:2020/11/26
Transition metal solute  Tungsten  Solute diffusion  First-principles