Using ab initio calculations in the CALPHAD environment

Methods for applying first principles (FP) calculations to CALPHAD modeling , are discussed, with emphasis on easily calculated quantities that can be used to estimate input parameters for CALPHAD optimizations. Estimations of vibrational entropies, and melting points, from chemical systematics of me asured elastic constants, or via semiempirical methods based on FP calculat ions are reviewed. Some strategies for including higher-order (clusters lar ger than pairs) short range order correlations in CALPHAD calculations are considered.