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Role of helium in the sliding and mechanical properties of a vanadium grain boundary: A first-principles study.
- Source :
-
Chinese Physics B . May2014, Vol. 23 Issue 5, p1-1. 1p. - Publication Year :
- 2014
-
Abstract
- The effects of helium (He) on the sliding and mechanical properties of a vanadium (V)Σ5(310)/[001] grain boundary (GB) have been investigated using a first-principles method. It has been found that He was energetically favorable sitting at the GB region with a segregation energy of −0.27 eV, which was attributed to the special atomic configurations and charge density distributions of the GB. The maximal sliding energy barrier of the He-doped GB was calculated to be 1.73 J/m2, ∼ 35% larger than that of the clean GB. This suggested that the presence of He would hinder the V GB mobility. Based on the thermodynamic criterion, the total energy calculations indicated that the embrittlement of V GB would be enhanced by He segregation. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 16741056
- Volume :
- 23
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Chinese Physics B
- Publication Type :
- Academic Journal
- Accession number :
- 96316596
- Full Text :
- https://doi.org/10.1088/1674-1056/23/5/056104