[CALPHAD] (http://www.calphad.org/)
CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aids the continous developments of alloy (and other materials) phase diagrams by the the creation of thermochemical databanks. The CALPHAD is solely based on the fact that a phase diagram is a manifestation of the equilibrium thermodynamics properties of the system, which are the sum of the properties of the individual phases. It is thus possible to calculate a phase diagram by assessing the thermodynamics properties of all the phases in the system.
- [Phase Diagram Calculations] Produce complete phase diagram using Gibbs energy curves of the phases in a binary system to derive equilibrium phase boundary compositions over a range of temperature.
- [Parameter Optimization]