This is a work in progress.

A script to export MOOSE readable free energy expressions from *.tdb thermodynamic database files can be found at

moose/python/calphad/free_energy.py


The free_energy.py tool allows users to extract free energy expressions from *.tdb thermodynamic database files (ThermoCalc format). The tool exports a list of MOOSE Material blocks for each phase (or a user specified subset of phases). The CALPHAD functional expressions are implemented using the DerivativeParsedMaterial class.

It is up to the user to construct a full MOOSE input file around these material blocks and to rename the variables used in the exported form to more suitable names.

## Installation

The pycalphad Python module is required to perform the parsing of the *.tdb files. SymPy is required to build the functional forms of the calphad expressions.

To install and/or upgrade these prerequisites use pip:

pip install --upgrade sympy