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A Comparative First Principles Study of Phase Stability in Ni-Ti and Ni-Al Alloys Around Equiatomic Composition

  • P.E.A. Turchi (a1), M. Sluiter (a1), F.J. Pinski (a2) and D.D. Johnson (a3)

Abstract

Electronic structure and phase stability properties of Ni-Ti and Ni-Al around equiatomic composition are investigated with a first principles approach. The study is based upon the generalized purturbation method applied to the Korringa-Kohn-Rostoker multiple scattering formulation of the coherent potential approximation. Within this framework, effective cluster interactions which build up the configuration-dependent part of the internal energy are calculated. The strength of ordering tendencies in both bcc-based substitutional alloys is compared and contrasted in terms of hybridisation effects, in relation with experimental evidences.

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[3]Binary Alloy Phase Diagrams”, ed. by Massalski, T. B. (ASM, Metals Park), vols. 1 and 2, 1986.
[4] Turchi, P.E.A., Stocks, G. M., Butler, W. H., Nicholson, D. M. and Gonis, A., Phys. Rev., B37, 5982, 1988; and references cited therein.
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[6] Johnson, D. D., Pinski, F. J., and Stocks, G. M., Phys. Rev., B30, 5508, 1984.
[7] Sluiter, M., Turchi, P.E.A., Johnson, D. D., Pinski, F. J., Nicholson, D. M. and Stocks, G. M., to be published in Proceedings of the 1989 MRS fall meeting, ed. by Shapiro, S. M., Moss, S. C. and Jorgensen, J. D., vol. 166, 1990.
[8] Finel, A., These de Doctorat d'Etat es Sciences Physiques, University of Paris VI, 1987 (unpublished).

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A Comparative First Principles Study of Phase Stability in Ni-Ti and Ni-Al Alloys Around Equiatomic Composition

  • P.E.A. Turchi (a1), M. Sluiter (a1), F.J. Pinski (a2) and D.D. Johnson (a3)

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