| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7956056 | Calphad | 2012 | 6 Pages |
Abstract
⸠We have studied the formation of point defects in the ordered B2 phase in the Ti-Al system. ⸠Enthalpy of formation of vacancies and anti-site atoms was calculated using DFT. ⸠Concentrations of point defects at finite temperatures were calculated using first-principles. ⸠The Gibbs energy model of the B2 and A2 phases was revised to include vacancies. ⸠Ti anti-sites in the Al sublattice and vacancies in the Ti sublattice are the dominant point defects.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
H. Wang, R.C. Reed, J.-C. Gebelin, N. Warnken,