Retention and diffusion of transmutation H and He atoms in Be12Ti: first-principles calculations

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作者信息关键词期刊信息基础信息归属信息摘要

成果类型：

期刊论文

作者：

Zhu, Xiaolu;Wang, Canglong*;Liu, Jiajia;Zhang, Xingming;Deng, Huiqiu;...

通讯作者：

Duan, Wenshan;Wang, Canglong

作者机构：

[Duan, Wenshan; Zhu, Xiaolu; Liu, Jiajia] Northwest Normal Univ, Coll Phys & Elect Engn, Lanzhou 730070, Gansu, Peoples R China.

[Wang, Canglong; Yang, Lei; Zhu, Xiaolu; Liu, Jiajia] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China.

[Zhang, Xingming] Hunan Agr Univ, Coll Sci, Changsha 410128, Hunan, Peoples R China.

[Deng, Huiqiu] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China.

通讯机构：

[Duan, Wenshan] N

[Wang, Canglong] C

Northwest Normal Univ, Coll Phys & Elect Engn, Lanzhou 730070, Gansu, Peoples R China.

Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China.

语种：

英文

期刊：

RSC Advances

ISSN：

2046-2069

年：

2018

卷：

期：

页码：

35735-35743

DOI：

10.1039/c8ra06768f

基金类别：

National Key Research and Development Program of China [2016YFB0200504]; Bureau of International Cooperation, Chinese Academy of Foreign Cooperation Key Projects [113462KYSB20160040]; Strategic Priority Research Program of Chinese Academy of Sciences [XDA21010202]; National Natural Science Foundation of China [11747306]

机构署名：

本校为其他机构

院系归属：

理学院

摘要：

The beryllide Be12Ti is considered to be the most promising candidate material for advanced plasma facing materials in future fusion reactors because of its excellent performance. In this work, first-principles calculations were conducted to gain insight into the retention and diffusion behavior of transmutation H and He atoms in Be12Ti. The solution energy and migration energy of single impurity H/He atoms were computed to study the behavior of their retention and diffusion. Among seven stable interstitial sites, H atoms preferentially occupy ...

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Retention and diffusion of transmutation H and He atoms in Be12Ti: first-principles calculations

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