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Statics of Phase Transformation in Ni-Al, Ni-Ti And Cu-Zn: a First Principles Study

Published online by Cambridge University Press:  25 February 2011

P. E. A. Turchi  and
M. Sluiter
P. E. A. Turchi
Affiliation:
Lawrence Livermore National Laboratory, Condensed Matter Division (L-268), Livermore, CA 94550
M. Sluiter
Affiliation:
Lawrence Livermore National Laboratory, Condensed Matter Division (L-268), Livermore, CA 94550
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Abstract

We show that the interplay between electronic structure properties, crystalline effects and local chemical order is quite distinct for Ni-Al, Ni-Ti and Cu-Zn, although they all exhibit a first order displacive transformation upon cooling from a high temperature partially ordered B2 phase. For this purpose, electronic structure and phase stability properties of these three alloys are investigated with a first principles approach. The study is based upon the Generalized Perturbation Method applied to the Korringa-Kohn-Rostoker multiple scattering description of the Coherent Potential Approximation, and temperature effects are taken into account within a generalized mean field approach.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 246: Symposium M – Shape-Memory Materials and Phenomena--Fundamental Aspects and Applications , 1991 , 13
Copyright
Copyright © Materials Research Society 1992

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