Calculation of Gibbs Free Energy of Iron Based Alloys Using Miedema's Model and Comparison with Experiment

Abstract

The utilization of the Miedema semi-empirical model has proven to be an effective approach for the estimation of Gibbs free energy in solid solutions within binary and ternary systems. Research findings indicate that in systems such as FeAl, FeMn, FeB, FeV, FeGa, AlMn, AlGa, and AlV, the Gibbs free energy exhibits highly negative values. Conversely, systems FeSn, AlB, and AlSn demonstrate positive Gibbs free energy values, with the most negative observing at a molar fraction of 50% for Fe. These results have been corroborated through studies involving the mechanosynthesis of binary and ternary FeAl based alloys. It is thus inferred that the Miedema model can be reliably employed for predictive purposes, facilitating the estimation of Gibbs free energy and the exploration of potential multicomponent system formations.