Numerical Prediction of the Thermodynamic Properties of Ternary Al-Ni-Hf Alloys

摘要

Thermodynamic properties of ternary Al-Hf-Ni system, such as ~(ex)G, μ_(Al), μ_(Ni) and μ_(Zr) at 1373K were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting ~(ex)G values was regarded as the calculation of excess Gibbs energy values inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of ~(ex)G on all legs of the triangle are known. ~(ex)G and L_(ijk) ternary interaction parameters in the Muggianu extension of the Redlich-Kister formalism are calculated numerically using Wolfram Mathematica 9 software.