Thermodynamic databases and software: Past, present and future

Abstract

Phase diagram and thermodynamic data are essential for the design and development of materials. The CALPHAD (Calculation of Phase Diagrams) technique has made it possible to calculate properties of multicomponent systems using databases of thermodynamic descriptions with models that were assessed from experimental data. A number of thermodynamic databases and softwares are available for the calculation of properties of multicomponent systems under the frame of ICME (Integrated Computational Material Engineering) or MGI (Materials Genome Initiative). This article briefly reviewed the past and present of the thermodynamic databases and softwares and discussed their future development combining our own research work.