Modeling and simulation allow the prediction of phase transformations during the solidification of alloys using thermodynamic and kinetic models. These models simulate how temperature, composition, and time influence the formation and growth of solid phases from liquid. By solving numerical equations, the final microstructure can be predicted, which helps to optimize industrial processes and alloy quality.

"Modeling and simulation, by combining thermodynamic data (CALPHAD), kinetic data (mass and heat transfer), and microscopic approaches (phase-field, molecular dynamics), can predict phase transformations during alloy solidification and estimate the resulting final microstructure and mechanical properties."