Stable structure of hydrogen atoms trapped in tungsten divacancy

Kazuhito Ohsawa, Takeshi Toyama, Yuji Hatano, Masatake Yamaguchi, Hideo Watanabe

研究成果: Contribution to journalArticle査読

1 被引用数 (Scopus)

抄録

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.

本文言語英語
論文番号151825
ジャーナルJournal of Nuclear Materials
527
DOI
出版ステータス出版済み - 12 15 2019
外部発表はい

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Materials Science(all)
  • Nuclear Energy and Engineering

フィンガープリント 「Stable structure of hydrogen atoms trapped in tungsten divacancy」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル