| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1450872 | Acta Materialia | 2007 | 7 Pages |
Abstract
We performed first-principles slab calculations based on the density functional theory to investigate the surface segregation behavior of Pt on the clean (1 0 0), (1 1 0) and (1 1 1) surfaces of γ′-Ni3Al. The results clearly indicate that Pt has a strong tendency to surface segregate in all three low-index surface orientations. Such a conclusion is in complete agreement with a recent experimental finding that Pt segregates to the clean Ni3Al(1 1 1) surface. The tendency of Pt to surface segregate also helps to explain why Pt addition is beneficial to the oxidation resistance of Ni3Al.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
C. Jiang, B. Gleeson,