A First-Principles Study of the Phase Stability of FCC-Based Ti-Al Alloys
Keyword(s):
AbstractIn this paper we present results of a first-principles phase stability study of fcc-based Ti-Al alloys. In particular, the full-potential linear muffin tin orbital method has been used to determine heats of formation and other zero-temperature properties of 9 fcc ordered superstructures as well as fcc and hcp Ti, and fcc Al. From these results a set of effective cluster interactions are determined which are used in a cluster variation method calculation of the thermodynamic properties and the composition-temperature phase diagram of fcc-based alloys.
1993 ◽
Vol 8
(10)
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pp. 2554-2568
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2005 ◽
Vol 475-479
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pp. 3127-3130
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1992 ◽
Vol 33
(7)
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pp. 698-705
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2005 ◽
Vol 475-479
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pp. 3075-3080
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