Thermodynamic reassessment of the Al–Zr binary system

Abstract

Based on the data of the literature reports, the Al–Zr binary system has been re-assessed thermodynamically through the CALPHAD (CALculations of PHAse Diagram) approach using Thermo-Calc software. The Redlich–Kister polynomials as well as the exponential temperature dependence model of Kaptay were used to describe the excess Gibbs energy of the liquid phase and the three terminal solid solutions: fcc_A1 (Al), bcc_A2 (βZr), and hcp_A3 (αZr). Additionally, the ten Al–Zr intermetallic compounds were treated as strict stoichiometric compounds. Finally, the comparison between the experimental and the two calculated phase diagrams, as well as the generated thermodynamic parameters, was critically discussed.