A Thermodynamic Approach to Predict Formation Enthalpies of Ternary Systems Based on Miedema's Model

摘要

A novel modification to the thermodynamic semi-empirical Miedema's model has been made in order to provide more precise estimations of formation enthalpy in ternary alloys. The original Miedema's model was modified for ternary systems based on surface concentration function revisions. The results predicted by the present model were found to be in excellent agreement with the available experimental data of over 150 ternary intermetallic compounds. The novel proposed model is capable of predicting formation enthalpies of ternary intermetallics with small discrepancies of a parts per thousand currency sign20 kJ/mol as well as providing reliable enthalpy variations.