Elastic constants and planar fault energies of Ti{sub 3}Al, and interfacial energies at the Ti{sub 3}Al/TiAl interface by first-principles calculations
- Oak Ridge National Lab., Oak Ridge, TN (United States). Metals and Ceramics Div.
There has been no published result on the measurement of the elastic constants of Ti{sub 3}Al. This is partly due to the difficulties in preparing high-quality stoichiometric Ti{sub 3}Al samples, and also in accurately analyzing the experimental data. In this paper the authors report the results of ab initio quantum mechanical calculations of the elastic constants of Ti{sub 3}Al by local-density-functional (LDF) approach. The authors also calculated the antiphase boundary (APB) and complex stacking fault (CSF) energies of Ti{sub 3}Al and the planar fault energies at the TiAl/Ti{sub 3}Al interface. The authors show that the planar fault energies at the interface can be very different from those in either constituent phase. The bonding mechanism in Ti{sub 3}Al is also discussed.
- DOE Contract Number:
- AC05-84OR21400
- OSTI ID:
- 237847
- Journal Information:
- Scripta Metallurgica et Materialia, Vol. 33, Issue 6; Other Information: PBD: 15 Sep 1995
- Country of Publication:
- United States
- Language:
- English
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