| タイトル | Trapping of multiple hydrogen atoms in a tungsten monovacancy |
| DOI | info:doi/10.15017/27087 |
| 本文（外部サイト） | https://catalog.lib.kyushu-u.ac.jp/opac_download_md/27087/139_p069.pdf |
| 参考URL | http://hdl.handle.net/2324/27087 |
| 著者（英） | Ohsawa, Kazuhito; Goto, Junya; Yamakami, Masahiro; Yamaguchi, Masatake; Yagi, Masatoshi |
| 発行日 | 2013-08-24 |
| 発行機関など | Research Institute for Applied Mechanics, Kyushu University |
| 刊行物名 | 九州大学応用力学研究所所報 |
| 巻 | 139 |
| 開始ページ | 69 |
| 終了ページ | 73 |
| 刊行年月日 | 2010-09 |
| 言語 | eng |
| 内容記述 | The configuration of multiple hydrogen atoms trapped in a tungsten monovacancy is investigated using first-principles calculations to determine trapping energy. Unlike previous computational studies, which have reported that hydrogen in BCC metal monovacancies occupies octahedral interstitial sites, it is found that the stable sites shift towards tetrahedral interstitial sites as the number of hydrogen atoms increases. As a result, a maximum of twelve hydrogen atoms can become trapped in a tungsten monovacancy. |
| キーワード | metal-hydrogen system; tungsten; fusion reactor; first-principles simulation; irradiation |
| 資料種別 | Departmental Bulletin Paper |
| 著者版フラグ | publisher |
| ISSN | 1345-5664 |
| NCID | AA11459359 |
