4. Metastability and Reference States

• 4.1. Calculations with Reference States
  • 4.1.1. Experimental Reference States: Formation and Mixing Energy
• 4.2. Metastability calculations
  • 4.2.1. Export phase energies as a table
  • 4.2.2. Plot energy curves for several phases
  • 4.2.3. Driving force calculation
  • 4.2.4. Calculate T0 (t-zero) as a function of composition
• 4.3. Calculate and Plot Activity
  • 4.3.1. Experimental activity results
  • 4.3.2. Set up the database
  • 4.3.3. Calculate the reference state
  • 4.3.4. Calculate the equilibria
  • 4.3.5. Get the chemical potentials and calculate activity
  • 4.3.6. Plot the result
• 4.4. Special _MIX Reference State
  • 4.4.1. Calculations at specific site fractions