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Welcome to the Open Calphad (OC) wiki! This is an attempt to create an open souce thermodynamic software aimed at applications in materials science.

Computational Thermodynamcs (CT) is an important link between more basic materials science like Density Functional Theory (DFT) and simulations of phase transformations like Phase Field (PF) providing information of the set of stable phases, chemical potentials, heat capacities etc.

There is a first version available heara and at http://opencalphad.com for multicomponent single equilibrium calculations using the Compound Energy Formalism (CEF) and an application software interface.

The second version was released in Febriary 2015 and it includes the ionic two-sublattice liquid model and also facilties to calculate and plot (using GNUPLOT) property and some phase diagrams. Currently only binary phase diagrams work reasonably and it is fragile. The application software interface has been extended including an example how to use it from C.

A third version is now under development and a prerelease is available. The code has been reorganized to make it easier to maintain also for others. An extensive C++ software interface has been added. Work is continuting on extending conditions and improving step/map/plot.

Contributions are welcome as well as feedback with problems using the current versions.