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IRREGULAR COMPOSITION-DEPENDENCE OF THE CONFIGURATIONAL HEAT CAPACITY IN THE MODELLING OF ORDERED ALLOYS

For a long time the Cluster Variation Method (CVM) has been used for modelling the configurational entropy of phases with order/disorder transformations. Recently this model was implemented in more general software for phase-diagram calculations and one could take advantage of the extensive faciliti...

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Bibliographic Details
Published in:The Journal of physics and chemistry of solids 1998-09, Vol.59 (9), p.1549-1553
Main Authors: Kusoffsky, Alexandra, Sundman, Bo
Format: Article
Language:English
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Summary:For a long time the Cluster Variation Method (CVM) has been used for modelling the configurational entropy of phases with order/disorder transformations. Recently this model was implemented in more general software for phase-diagram calculations and one could take advantage of the extensive facilities offered by this software to explore the model. An irregularity in the configurational heat capacity around the ideal ordering compositions was then discovered. The reason for this behaviour is discussed and also whether it is model-dependent.
ISSN:0022-3697
1879-2553
DOI:10.1016/S0022-3697(98)00066-3