| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7989262 | Intermetallics | 2012 | 10 Pages |
Abstract
⺠Effects of Ti and Zr transition metals in the bulk and at Σ5 grain boundary in D03-Fe3Al. ⺠In the bulk, FeII sites are preferential sites for vacancies while Ti and Zr prefer FeI sites. ⺠Both Ti and Zr occupy FeI site in the first plane away from the exact grain boundary interface. ⺠Zr is stable at grain boundary as an insertion with Fe first neighbors and substitution on Fe sites. ⺠Ti and Zr reduce the interface energy of Σ5 grain boundary by 14% and 22%, respectively.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
![First principle study of the effect of Ti and Zr transition metals located in bulk D03Fe3Al and â5 (310)[001] grain boundary](/preview/png/7989262.png "First Page Preview: First principle study of the effect of Ti and Zr transition metals located in bulk D03Fe3Al and â5 (310)[001] grain boundary")
Authors
S. Chentouf, J.-M. Raulot, H. Aourag, T. Grosdidier,