| Abstract Scope |
High-entropy alloys (HEAs) differ from traditional alloys by combining several principal elements in near-equiatomic ratios, opening access to the unexplored central regions of multi-component composition space. Because experimental exploration alone is inefficient in such complex systems, CALPHAD-based thermodynamic and kinetic simulations play a key role in accelerating HEA design.
CALPHAD tools support HEA development by predicting phase stability, calculating phase fractions, assessing transformation pathways, estimating diffusion and precipitation behavior, and evaluating thermophysical properties such as density, thermal conductivity, electrical resistivity, surface tension, and viscosity. They also enable mapping of complex composition–temperature phase diagrams, analysis of solidification and segregation, heat-treatment design, investigation of chemical ordering, and high-throughput screening of large compositional spaces.
This presentation highlights applications of computational thermodynamics and kinetics in HEA design and processing, with emphasis on updates to the TCHEA8 database (including oxygen and elastic properties) and examples of additive manufacturing simulations using CALPHAD-based finite element modelling. |