Joshi, K., Quek, S. S., Zeng, Y., & Wu, D. T. (2021). An efficient implementation for the solution of auxiliary composition fields in multicomponent phase field models. Computational Materials Science, 197, 110608. https://doi.org/10.1016/j.commatsci.2021.110608
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 dimen sional 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.
License type:
Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
Funding Info:
SSQ acknowledges financial support from the Science and Engineering Research Council, A*STAR, Singapore (Grant No.: A18B1b0061)