Article ID Journal Published Year Pages File Type
1561981 Computational Materials Science 2012 6 Pages PDF
Abstract
► Ab initio methods are used to investigate defects in YPO4. ► YPO2 is a candidate for nuclear waste disposal. ► An O-O split interstitial is the most stable interstitial. ► Results shed light in the development of interatomic potential in waste forms.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Authors
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