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


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Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/71550

Title:	Study on synergistic effects of H and He in alpha-Fe
Authors:	Shi, Jingming Browse this author
Authors:	Hashimoto, Naoyuki Browse this author
Keywords:	Fe
	H
	He
	Density functional theory
Issue Date:	Aug-2018
Publisher:	Elsevier
Journal Title:	Nuclear materials and energy
Volume:	16
Start Page:	212
End Page:	216
Publisher DOI:	10.1016/j.nme.2018.07.004
Abstract:	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.
Rights:	https://creativecommons.org/licenses/by/4.0/deed.en
Type:	article
URI:	http://hdl.handle.net/2115/71550
Appears in Collections:	工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 史鏡明

OAI-PMH ( junii2 , jpcoar_1.0 )

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