A ternary phase-field model incorporating commercial CALPHAD software and its application to precipitation in superalloys Original Research Article

A ternary phase-field model was developed that is linked directly to commercial CALPHAD software to provide quantitative thermodynamic driving forces. A recently available diffusion mobility database for ordered phases is also implemented to give a better description of the diffusion behavior in alloys. Because the targeted application of this model is the study of precipitation in Ni-based superalloys, a Ni–Al–Cr model alloy was constructed. A detailed description of this model is given in the paper. We have considered the misfit effects of the partitioning of the two solute elements. Transformation rules of the dual representation of the image microstructure by CALPHAD and by the phase field are established and the link with commercial CALPHAD software is described. Proof-of-concept tests were performed to evaluate the model and the results demonstrate that the model can qualitatively reproduce observed image precipitation behavior. Uphill diffusion of Al is observed in a few diffusion couples, showing the significant influence of Cr on the chemical potential of Al. Possible applications of this model are discussed.