Ursula R. Kattner¹; ¹National Institute of Standards and Technology

Phase Diagrams are frequently hailed as roadmaps for materials and process development and are frequently graphical representations of phase equilibria as function of composition, temperature and/or pressure. The graphical representation imposes a limit on the information that can be communicated while computational thermodynamics is limited by the available computational resources. Within computational thermodynamics the CALPHAD method has established itself as a pillar for computational materials and process design and its databases are viewed as part of a materials genome. The CALPHAD method was established several decades ago for thermodynamic modeling of phase equilibria and its models have become increasingly sophisticated with time for efficient calculation of realistic phase diagrams and thermochemical properties. The conceptual design of CALPHAD models also makes them well suited for describing other phase-based properties, such as diffusion mobilities, molar volume and other thermophysical properties. Recent advances in CALPHAD modeling and database development will be discussed.