Theoretical investigation of thermodynamic stability and mobility of the intrinsic point defects in Ti3AC2 (A = Si, Al)
Author:
Affiliation:
1. Shenyang National Laboratory for Materials Science
2. Institute of Metal Research
3. Chinese Academy of Sciences
4. Shenyang
5. China
6. Aerospace Research Institute of Materials & Processing Technology
7. Beijing 100076
Abstract
Interstitial configurations, formation energies, and migration paths of intrinsic point defects of Ti3AC2 (A = Si or Al) were investigated by a first-principles method.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP00062A
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