Applications of CALPHAD modeling and databases in advanced lightweight metallic materials

Abstract

This paper presents an overview on the application of CALPHAD (CALculation of Phase Diagrams) methodology in the design and development of advanced lightweight metallic materials including magnesium, aluminum, titanium, aluminum-based metal matrix composites, and high entropy alloys. In this work, CALPHAD methodology has been established and summarized from the construction of databases describing thermodynamics, atomic mobility, kinetics, thermo-physical properties (such as viscosity) to the application of computational design of lightweight materials. The examples in this paper have demonstrated the effectiveness and capability of CALPHAD methodology in accelerating the design of advanced lightweight materials by optimizing the compositions and various heat-treatment conditions, modifying the evolution of microstructures during processing, and finally predicting the mechanical properties (e.g., yield strength and hardness) of the lightweight components. Although the examples are given in lightweight alloys for structural applications, the fundamental methodology and modeling principles are applicable to all materials and engineering applications. Thus, the future of the advanced material design will be strongly based on development of CALPHAD methodology such as the construction of reliable databases coupled with CALPHAD-based models for various applications.