Thermodynamic modeling of the chromium-yttrium-oxygen system

Abstract

Based on the CALPHAD (CALculation of PHAse Diagrams) method, a complete thermodynamic description of the Cr-Y-O ternary system is obtained in the present work. The thermodynamic properties of YCrO3 phase are critically assessed and the experimentally determined Cr2O3-Y2O3 quasi-binary section is reproduced. The current optimization results agree well with most of the experimental data in literature. The thermodynamic description of Cr-Y-O is then used to calculate the phase relations under different temperatures or oxygen partial pressures. The stability of the YCrO3 phase is discussed based on the calculation results.