| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561981 | Computational Materials Science | 2012 | 6 Pages |
Abstract
⺠Ab initio methods are used to investigate defects in YPO4. ⺠YPO2 is a candidate for nuclear waste disposal. ⺠An O-O split interstitial is the most stable interstitial. ⺠Results shed light in the development of interatomic potential in waste forms.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
F. Gao, H.Y. Xiao, Y.G. Zhou, R. Devanathan, S.Y. Hu, Y.L. Li, X. Sun, M.A. Khaleel,