Trapping of multiple hydrogen atoms in a tungsten monovacancy - Collections | Kyushu University Library

＜departmental bulletin paper＞
Trapping of multiple hydrogen atoms in a tungsten monovacancy

Creator	Author PID K001835 Creator Name Ohsawa, Kazuhito 大澤, 一人オオサワ, カズヒト Affiliation Affiliation Name 九州大学応用力学研究所
	Creator Name Goto, Junya 後藤, 準也ゴトウ, ジュンヤ Affiliation Affiliation Name Interdisciplinary Graduate School of Engineering Science, Kyushu University 九州大学大学院総合理工学府
	Author PID L002866 Creator Name Yamakami, Masahiro 山上, 真広ヤマカミ, マサヒロ Affiliation Affiliation Name Interdisciplinary Graduate School of Engineering Science, Kyushu University 九州大学大学院総合理工学府
	Creator Name Yamaguchi, Masatake 山口, 正剛ヤマグチ, マサタケ Affiliation Affiliation Name Center for Computational Science and e-System , Japan Atomic Energy Agency 日本原子力研究開発機構システム計算科学センター
	Author PID K001836 Creator Name Yagi, Masatoshi 矢木, 雅敏ヤギ, マサトシ Affiliation Affiliation Name Research Institute for Applied Mechanics, Kyushu University 九州大学応用力学研究所
Language	English
Publisher	Research Institute for Applied Mechanics, Kyushu University
Publisher	九州大学応用力学研究所
Date	2010-09
Source Title	Reports of Research Institute for Applied Mechanics, Kyushu University
Vol	139
First Page	69
Last Page	73
Publication Type	Version of Record
Access Rights	open access
JaLC DOI	https://doi.org/10.15017/27087
Abstract	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.show more

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Details

PISSN	1345-5664
NCID	AA11459359
Record ID	27087
Peer-Reviewed	Unrefereed
Subject Terms	metal-hydrogen system
	tungsten
	fusion reactor
	first-principles simulation
	irradiation
Type	紀要論文
Created Date	2013.08.24
Modified Date	2023.02.27