IRREGULAR COMPOSITION-DEPENDENCE OF THE CONFIGURATIONAL HEAT-CAPACITYIN THE MODELING OF ORDERED ALLOYS

For a long time the Cluster Variation Method (CVM) has been used for m odelling the configurational entropy of phases with order/disorder tra nsformations. Recently this model was implemented in more general soft ware for phase-diagram calculations and one could take advantage of th e 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 behavio ur is discussed and also whether it is model-dependent. (C) 1998 Elsev ier Science Ltd. All lights reserved.