Transformations among CE�?�CVM model parameters for multicomponent systems

[摘要] In the development of thermodynamic databases for multicomponent systems using the cluster expansionâ€�?�cluster variation methods, we need to have a consistent procedure for expressing the model parameters (CECs) of a higher order system in terms of those of the lower order subsystems and to an independent set of parameters which exclusively represent interactions of the higher order systems. Such a procedure is presented in detail in this communication. Furthermore, the details of transformations required to express the model parameters in one basis from those defined in another basis for the same system are also presented.

[学科分类] 材料工程

[关键词] Cluster expansion and cluster variation methods;phase equilibria;thermodynamics of materials.