PanPhaseDiagram: Calculation of phase equilibria and thermodynamic properties

  •  Stable and metastable phase equilibria
  •  Phase stability, phase amount and phase composition
  •  Solidification simulation by Scheil model and Lever rule
  •  Phase transformation temperature, such as liquidus, solidus, and solvus
  •  Chemical driving force
  •  Thermodynamic property, such as activity, enthalpy, heat capacity

New Features (2019 version):

  • Append database: User can append a custom-made database (tdb) to an original database (either tdb or pdb). This allows users to modify/replace the model parameters, add new parameters, or add new phases to the original database. More importantly, it allows users to calculate any property of interest by defining the property models and model parameters in the custom-made database (tdb). 

The following figures show the calculated T0 curve, lattice parameter, and thermoconductivity using this function:

  • Local equilibrium calculation: User can calculate local equilibrium by considering coexisting phases having the same chemical potential of every component. 

The following figure shows an example calculation of local equilibrium in Al-Zn system:


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