Thermodynamic evaluation and optimization of Al–Gd, Al–Tb, Al–Dy, Al–Ho and Al–Er systems using a Modified Quasichemical Model for the liquid

Abstract The Al–Gd, Al–Tb, Al–Dy, Al–Ho and Al–Er (Al–heavy rare earths) binary systems have been systematically assessed and optimized based on the available experimental data and ab-initio data using the FactSage thermodynamic software. A systematic technique (reduced melting temperature proposed by Gschneidner) was used for estimating the Al–Tb phase diagram due to lack of experimental data. Optimized model parameters of the Gibbs energies for all phases which reproduced all the reliable experimental data to satisfaction have been obtained. The optimization procedure was biased by putting a strong emphasis on the observed trends in the thermodynamic properties of Al–RE phases. The Modified Quasichemical Model, which takes short-range ordering into account, is used for the liquid phase and the Compound Energy Formalism is used for the solid solutions in the binary systems. It is shown that the Modified Quasichemical Model used for the liquid alloys permits one to obtain entropies of mixing that are more reliable than that based on the Bragg–Williams random mixing model which does not take short-range ordering into account.