Examples

• 1. Phase Diagrams
  • 1.1. Plotting Isobaric Binary Phase Diagrams with binplot
  • 1.2. Plotting Ternary Phase Diagrams and Using Triangular Axes
  • 1.3. Plotting using the Mapping API
  • 1.4. Phases with Electrically Charged Species
• 2. Computing Properties
  • 2.1. Phase Fractions and Phase Compositions vs Temperature
  • 2.2. Gibbs Energy of Each Phase at Fixed Composition
  • 2.3. Heat Capacity of Cementite (\(Fe_3C\))
  • 2.4. Equilibrium Properties and Partial Ordering (Al-Fe and Al-Ni)
  • 2.5. Custom Models in pycalphad: Viscosity
  • 2.6. Calculating Energy Surfaces [Legacy Method]
• 3. High Throughput Analysis
  • 3.1. High-throughput Calculations
  • 3.2. Exploring calculate and equilibrium xarray Datasets
  • 3.3. Screening for Phase Stability
• 4. Metastability and Reference States
  • 4.1. Calculations with Reference States
  • 4.2. Metastability calculations
  • 4.3. Calculate and Plot Activity
  • 4.4. Special _MIX Reference State