CALPHAD

CALPHAD.md

[CALPHAD] (http://www.calphad.org/)

[Introduction] (CALPHAD)

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.

[Software] (DOI: 10.1016/j.calphad.2007.10.001)

1. [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.
2. [Parameter Optimization] Optimization of phase diargrams by a least squares method using simultaneously different types data to achieve consistency between experimentally determined thermodynamic and phase boundary values for an alloy system and hand-calculation. The parameter optimization software is available for free.

[Summary] (DOI: 10.1016/j.calphad.2007.10.001)

CALPHAD is widley applied as an integral part of the mateials development process or alloy. Reliable thermodynamic calculations through CALPHAD allow considerable time and costs to be saved in producing a new material of the required composition and phase constitution for a particular application.