Thermodynamic assessment and glass forming ability prediction of the Zr-Fe-Cu system

Abstract A thermodynamic assessment of the Zr-Fe-Cu system has been performed by using the first-principles calculations and the CALPHAD approach, which is capable of combining experimental and theoretical data of thermodynamics and phase equilibria. The isothermal sections at 853, 973, 1273, 1373 and 1473 K together with the mixing enthalpies of liquid phase at 1873 K were well evaluated, and a consistent set of thermodynamic parameters was obtained. The combination of three thermodynamic criteria has been applied to predict the composition dependency of the glass forming range (GFR), the glass forming ability (GFA) and the glass forming behaviour in the Zr-Fe-Cu system based on the thermodynamic description assessed in this work.