Study on synergistic effects of H and He in alpha-Fe

Shi, Jingming; Hashimoto, Naoyuki

Nuclear materials and energy, 2018, 16, 212-216

Permalink : https://hdl.handle.net/2115/71550

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アクセス権	open access
URI	https://hdl.handle.net/2115/71550
タイトル	Study on synergistic effects of H and He in alpha-Fe
著者	著者名 Shi, Jingming
著者	著者名 Hashimoto, Naoyuki
言語	英語
キーワード	Fe
	H
	He
	Density functional theory
発行日	2018-08
出版者	Elsevier
収録物名	Nuclear materials and energy
巻(号)	16
ページ	212-216
抄録	The synergistic effect of hydrogen and helium in alpha-Fe has been investigated using density functional theory calculation method. In perfect crystal of Fe, the presence of helium atom would decrease the dissolution energy of hydrogen atom near helium atom. This implies the existence of an attractive interaction between hydrogen and helium atoms. It is also revealed that the most stable places for both hydrogen and helium atoms are two tetrahedral sites (T-site) with a distance of 2.16 angstrom. Furthermore, a vacancy-helium complex (Va-He) would be an effective trapping site for hydrogen atom compared with mono-vacancy, a Va-He would be able to trap 8 hydrogen atoms.
資源タイプ	学術雑誌論文
出版タイプ	Version of Record
権利情報	Creative Commons Attribution 4.0 International
PISSN	2352-1791
関連情報 (isIdenticalTo)	出版社版DOI https://doi.org/10.1016/j.nme.2018.07.004