/CALPHAD_sublattice_model_order_phase

Plot free energy of a phase that is defined by CALPHAD sublattice model

Primary LanguageMATLABMIT LicenseMIT

CALPHAD sublattice model for ordered phase

The purpose of this code is to calculate the composition values of an ordered phase defined by the CALPHAD sublattice model by minimizing the free energy in sublattice space...

For more information about the CALPHAD sublattice model read: A Review of Calphad Modeling of Ordered Phases

Link: https://link.springer.com/article/10.1007/s11669-018-0671-y

The code uses the MATLAB fmincon method to minimize the sublattice model to retrieve the alloy composition...

Two examples are included for the NiNb3 order phase from two different references.

NiNb3_free_energy