Integration of Phase Diagram Calculation with Kinetic Models for the Simulation of Materials Properties

CALPHAD, which stands for CALculation of PHAse Diagram, emerged first as an approach for the calculation of phase equilibria and thermodynamic properties of complex multi-component, multi-phase systems. This approach has, in recent years, been applied to a broader field of materials science and engineering beyond phase diagrams, such as solidification, coating, joining, and phase transformation. It has therefore become increasingly important in materials design and development and process optimization. In this presentation, I will use examples to demonstrate how phase diagram calculation can be integrated with kinetic models to better understand the correlation of alloy chemistry, microstructure and materials properties. The simulations can be further integrated with key experiments to accelerate the development of new materials and improvement of the existing ones.