Effects of Cr on H and He trapping and vacancy complexes in V in a fusion environment: a first-principles study

Juan Hua (), Yue-Lin Liu, Ming-Wen Zhao and Xiang-Dong Liu
Additional contact information
Juan Hua: School of Physics and State Key Laboratory of Crystal Materials, Shandong University
Yue-Lin Liu: Yantai University
Ming-Wen Zhao: School of Physics and State Key Laboratory of Crystal Materials, Shandong University
Xiang-Dong Liu: School of Physics and State Key Laboratory of Crystal Materials, Shandong University

The European Physical Journal B: Condensed Matter and Complex Systems, 2017, vol. 90, issue 6, 1-7

Abstract: Abstract First-principles density functional theory was used to investigate the interaction between hydrogen (H) and helium (He) in V–Cr alloy, which is a potential structural material for use in fusion reactors. When vacancies are present in the V–Cr alloy, a single He atom prefers to occupy the octahedral site near the Cr atom rather than vacancy centre, which differs from the cases of iron and tungsten. Because of the decrease of the electron density around the He atom, there was a strong interaction between He and H. In the vicinity of He-vac complexes, H atoms tend to stay in the tetrahedral site rather than occupy the octahedral-interstitial site. A single He-vac complex can trap as many as six H atoms, which is more than can be trapped by an empty vacancy in the V–Cr alloy because of the electronic density redistribution of vacancy vicinity. This strong attraction explains the enhanced retention of H and He observed near the surface of V and V-based alloys under both sequential and simultaneous bombardments. The results provide useful insight into the application of the V-based alloys as candidate structural materials in fusion Tokamaks.

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2017
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://link.springer.com/10.1140/epjb/e2017-80061-4 Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:90:y:2017:i:6:d:10.1140_epjb_e2017-80061-4

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/e2017-80061-4

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().