Application of Continuous Displacement Cluster Variation Method to Study Phase Equilibria

Abstract:

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Cluster Variation Method (CVM) has been widely recognized as one of the most reliable theoretical tools to study phase equilibria in metallic alloy systems. The conventional CVM, however, does not allow atomic local displacements and, therefore, calculated results often encounter various inconveniences such as the overestimation of transition temperatures. Continuous Displacement Cluster Variation Method (CDCVM) was proposed to circumvent such deficiencies of the conventional CVM. Preliminary studies on an order-disorder phase diagram based on CDCVM indicate that the transition temperature is shifted downward reproducing experimental tendencies. In the present study, lattice thermal vibration effects are also incorporated through Morse potential. It is concluded that the local lattice distortion effects are quite effective to reduce the transition temperature.

Info:

Periodical:

Materials Science Forum (Volumes 654-656)

Main Theme:

Edited by:

Jian-Feng Nie and Allan Morton

Pages:

1496-1499

DOI:

10.4028/www.scientific.net/MSF.654-656.1496

Citation:

T. Mohri "Application of Continuous Displacement Cluster Variation Method to Study Phase Equilibria", Materials Science Forum, Vols. 654-656, pp. 1496-1499, 2010

Online since:

June 2010

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$35.00

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