Thermodynamic calculations of the Au–Sc and Fe–Sc systems

Abstract

Thermodynamic optimization of the Au–Sc and Fe–Sc systems was carried out by means of the CALPHAD (CALculation of PHAse Diagram) method on the basis of the available experimental data in literature. Redlich–Kister polynomials were used to describe the excess Gibbs energy of solution phases, and all the compounds are treated as stoichiometric ones. The Au–Sc system was described thermodynamically for the first time, and the Fe–Sc system was re-optimized by considering the new experimental data about enthalpies of mixing of the liquid phase. A set of self-consistent parameters was obtained for each of these two binary systems, respectively.