The cluster variation method (CVM) has been widely employed to calculate alloy free energies. The atomistic feature of the CVM is coherent with first-principles electronic structure calculations. In the current manuscript, a detailed derivation of a simple pair approximation is demonstrated, which facilitates the introduction of the concept of atomic correlations. The recent progress of the continuous displacement CVM is briefly introduced.
ASJC Scopus subject areas
- Materials Science(all)