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Theoretical investigation of phase equilibria by the continuous displacement cluster variation method

  • Tetsuo Mohri

Abstract

By employing the continuous displacement cluster variation method, order – disorder transition behavior of a two-dimensional square lattice is investigated. It is demonstrated that the distribution of displaced atoms around a Bravais lattice point continuously changes with temperature. The additional freedom of atomic displacement contributes to the entropy and thermal lattice expansion is confirmed. Finally, it is shown that the order – disorder transition temperature decreases as compared with the one by the conventional cluster variation method in which no local atomic displacements are allowed.


* Correspondence address, Professor Tetsuo Mohri, Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628, Japan, Tel.: +81 11 706 6348, Fax: +81 11 706 6348, E-mail:

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Received: 2008-8-25
Accepted: 2008-12-18
Published Online: 2013-06-11
Published in Print: 2009-03-01

© 2009, Carl Hanser Verlag, München

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