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The Ta–W, W–Zr and Ta–W–Zr systems are critically reviewed and modeled using the CALPHAD technique. The enthalpy of formation of the stoichiometric compound W 2 Zr in the W–Zr system is predicted from first-principles calculations. The solution phases (liquid, bcc and hcp) are modeled by the substitutional solution model. The compound W 2 Zr is treated with the formula (Ta,W) 2 Zr in the Ta–W–Zr system because of a significant solid solubility of Ta in W 2 Zr. All experimental data, including the Gibbs energy of formation, enthalpy of formation, activity of Ta and W of bcc phase at 1 200 K, Ta–W and W–Zr phase diagrams, and three isothermal sections of the Ta–W–Zr system at 1 073, 1 098, and 1 873 K, are reproduced in the present work. A set of self-consistent thermodynamic parameters of the Ta–W–Zr system is obtained.

Thermodynamic description of the Ta–W–Zr system