Ti-Al based alloys have been widely used in the aeronautics and aerospace. Adding alloying element Zr can significantly improve their high-temperature endurance and corrosion resistance. To investigate the influence of the addition of element Zr on the properties of the Ti-Al system, ab initio calculations and the CALPHAD (CALculation of PHAse Diagrams) method were used to evaluate the Ti-Al-Zr ternary system. Ab initio calculations were carried out to calculate the formation enthalpies of intermetallic compounds and end-members. CALPHAD approach was employed to optimize the thermodynamic parameters based on experiments. The experimental data of phase equilibria at 1073, 1273, 1473, and 1573 K, as well as a vertical section of the Ti 3 Al-Ti + 5 wt.% Zr were used to assess this system. The thermodynamic parameters of the binary Ti-Al, Al-Zr and Ti-Zr systems were acquired from recent assessments, and the ternary ones were evaluated in the present work. The Ti-Al-Zr ternary dataset has been established and the calculated results are in close agreement with the experimental data on both thermodynamics and phase equilibria.
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