Abstract

We present a new approach for incorporating CALPHAD thermodynamics in phase field models using linear spline functions. In this method, we discretize an n-component composition space with a mesh of n-1 dimensional elements that have linear shape/interpolation functions, therefore representing any thermodynamic quantity as a linear function of composition. Following this approach, the solution of auxiliary solute compositions in phase field simulations is straightforward and significantly faster compared to standard Redlich-Kister polynomials based method. At the same time, we obtain high accuracy in solutions when compared with reference calculations where excess energy is represented using Redlich-Kister polynomials. The salient features of the model are highlighted through examples of α/β phase transformation in a ternary Ti-Al-V diffusion couple.

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