論文

査読有り 国際誌
2019年12月15日

Stable structure of hydrogen atoms trapped in tungsten divacancy

Journal of Nuclear Materials
  • Kazuhito Ohsawa
  • ,
  • Takeshi Toyama
  • ,
  • Yuji Hatano
  • ,
  • Masatake Yamaguchi
  • ,
  • Hideo Watanabe

527
開始ページ
151825
終了ページ
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.jnucmat.2019.151825

© 2019 Elsevier B.V. Stable structures of hydrogen atoms trapped in a divacancy in tungsten and their binding energies are presented on the basis of first-principle calculations. The hydrogen atoms are favorable sitting in the vicinity of octahedral interstitial sites (O-sites) next to the divacancy. Besides, hydrogen atoms preferentially occupy O-sites located in the center of the divacancy. As hydrogen atoms increases, O-sites located in the periphery of the divacancy are also occupied by the hydrogen atoms. The divacancy in tungsten is energetically unstable, compared with two isolated monovacancies. However, the divacancy is extremely stabilized by the hydrogen atom trapping. The binding energy of the divacancy depends on the sort of the hydrogen isotope.

リンク情報
DOI
https://doi.org/10.1016/j.jnucmat.2019.151825
Scopus
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85073205633&origin=inward
Scopus Citedby
https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85073205633&origin=inward
ID情報
  • DOI : 10.1016/j.jnucmat.2019.151825
  • ISSN : 0022-3115
  • SCOPUS ID : 85073205633

エクスポート
BibTeX RIS