Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1448533 | Acta Materialia | 2008 | 9 Pages |
Abstract
First-principles density functional theory is used to examine the effect of Pt on point defects and defect clusters in NiAl. It is found that Pt promotes the formation of Ni and Al vacancies and Ni and Al antisite atoms. Defect clusters that are minima in postulated Ni diffusion mechanisms in NiAl are also found to be stabilized by the presence of Pt. By decreasing defect formation energies, Pt may decrease the overall activation barrier to the diffusion of Ni and Al in NiAl. The results provide clues as to how Pt enhances thermal barrier coating lifetime.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
K.A. Marino, E.A. Carter,