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First Principles Study of Phase Stability in The Al-Ti System

Published online by Cambridge University Press:  28 February 2011

M. Asta ,
M. Sluiter ,
Prabhakar P. Singh ,
D. de Fontaine ,
T. Hong  and
A.J. Freeman
M. Asta
Affiliation:
University of California, Dept. of Physics, Berkeley, CA 94720
M. Sluiter
Affiliation:
Lawrence Livermore National Laboratory, Livermore, CA 94550
Prabhakar P. Singh
Affiliation:
University of California, Dept. of Materials Science, Berkeley, CA 94720
D. de Fontaine
Affiliation:
University of California, Dept. of Materials Science, Berkeley, CA 94720
T. Hong
Affiliation:
Northwestern University, Dept. of Physics, Evanston, IL 60207
A.J. Freeman
Affiliation:
Northwestern University, Dept. of Physics, Evanston, IL 60207
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Abstract

Due to its technological importance, the Al-Ti system has received much attention lately. For example, TiAl3 (as well as TiAl) has a low density and very high elevatedtemperature strength. However, this compound forms in the tetragonal D022 structure which has low ductility. Recent studies [1,2] have tried to understand the role of tetragonal distortion and the effect of ternary additions [3] in stablizing the D022 relative to the L12.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 186: Symposium I – Alloy Phase Stability and Design , 1990 , 33
Copyright
Copyright © Materials Research Society 1991

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References

1. Nicholson, D.M., Stocks, G.M., Temmerman, W.M., and Sterne, P. in High- Temperature Ordered Intermetallic Alloys III, edited by Liu, C.T., Taub, A.I., Stologg, N.S., and Koch, C. (Mat. Res. Soc. Proc. 133, Pittsburgh, PA 1986), pp. 17–22; Prabhakar P. Singh, M. Asta, D. de Fontaine, and-M. van Schilfgaarde, these proceedings.Google Scholar
2. Carlsson, A.E. and Meschter, P.J., J. Mater. Res. 4, pp. 1060–1063 (1989).Google Scholar
3. Mazdiyasni, S., Miracle, D.B., and Dimiduk, D.M., Scripta Metall. 23, p. 327 (1989).Google Scholar
4. Murray, J.L., Phase Diagrams of Binary Titanium Alloys, pp. 12–24 (1987) and references therein.Google Scholar
5. Loiseau, A., Tendeloo, G. Van, Portier, R., and Ducastelle, F., J. Physique 46, pp. 595–613 (1985).Google Scholar
6. Fontaine, D. de, in Allo Phase Stability, edited by Stocks, G.M. and Gonis, A. (Kluwer Academic Publishers, Boston, 1989), p. 177.Google Scholar
7. Gonis, A., Stocks, G.M., Butler, W.H., and Winter, H., Phys. Rev. B29, pp. 555–567 (1984).Google Scholar
8. Turchi, P.E.A., Gonis, A., Zhang, X.G., and Stocks, G.M., in Aly Phase Sality edited by Stocks, G.M. and Gonis, A. (Kluwer Academic Publishers, Boston, 1989), pg. 509.Google Scholar
9. Ducastelle, F., in Alloy Phase Stability, edited by Stocks, G.M. and Gonis, A. (Kluwer Academic Publishers, Boston, 1989), pg. 293.Google Scholar
10. Soven, P., Phys. Rev. 156, pg. 809 (1967).Google Scholar
11. Connolly, J.W.D. and Williams, A.R., Phys. Rev. B27, pg. 5169 (1983).Google Scholar
12. Sanchez, J.M., Ducastelle, F., and Gratias, D., Physica 128A, pg. 334 (1984).Google Scholar
13. That this is the case is strongly hinted at in: Turchi, P.E.A., Sluiter, M. and Fontaine, D. de, Phys. Rev. B36, p. 3161 (1987), where it is argued that strong scattering due to the d-electrons wifflead to a rapid convergence of the GPM expansion. Such need not be the case for s-p like states.Google Scholar
14. Kikuchi, R., Phys. Rev. 81, p. 998 (1951); D. de Fontaine, Sol. St. Physics 34, pg. 73 (1979).Google Scholar
15. Mohri, T., Sanchez, J.M., and Fontaine, D. de, Acta Metall. 33, pp. 1171–1185 (1985) and references therein.Google Scholar
16. Andersen, O.K., Jepsen, O., and Glotzel, D., in Highlights of Condensed Matter Theory, edited by Bassami, F., Fumi, F., and Tosi, M.D. (North Holland, New York, 1985)p.59.Google Scholar
17. Ferreira, L.G., Wei, Su-Huai, and Zunger, Alex, Phys. Rev. B40, p. 3197 (1989).Google Scholar
18. Sluiter, M. and Turchi, P.E.A., Phys. Rev. B40, p. 11215 (1990).Google Scholar
19. Brandes, E.A., Smithells Metals Reference Book, 6th ed. (Butterworths, Boston, 1983); P. Villars andL..Calvert, Pearson's-Handbook of Crystallographic Data for Intermetal- lic Phases, (A.S.M., Metals ParkDOH, 1985).Google Scholar
20. Kubaschewski, O. and Dench, W.A., Acta Metall. 3, pg. 339 (1955).Google Scholar
21. Kubaschewski, O. and Heymer, G., Trans. Faraday Soc. 56, pg. 473 (1960).Google Scholar
22. Andersen, O.K., Phys. Rev. B12, pg. 3060 (1975).Google Scholar
23. Skriver, H.L., The LMTO Method (Springer-Verlag, Berlin, 1984).Google Scholar