High throughput thermodynamic calculations
software
CALPHAD
449 Mantei Center
Pandat 2025 CALPHAD software suite
Computherm, LLC, Madison, WI, USA
Note
CALPHAD is used to predict phase diagrams and thermodynamic properties of multicomponent systems, enabling the design and optimization of new and existing materials.
Thermodynamic and Mobility Databases
| Database | Version | Scope |
|---|---|---|
| PanAl | 2024 | Aluminum alloys |
| PanNi | 2024 | Nickel alloys, including superalloys |
| PanHEA | 2025 | FCC high- and medium- entropy alloys, e.g. for corrosive environments and cryogenic applications |
| PanRHEA | 2024 | BCC high- and medium- entropy alloys, e.g. refractory complex concentrated alloys |
| PanNoble | 2024 | Copper alloys, Pb- and Sn-rich solders, and Ag-, Au-, Cu-, Ir-, Pd- and Pt-based noble alloys |
| PanTi | 2024 | Titanium alloys |
| PanIron | 2024 | Steels |
Modules
- PanPython SDK: Software development kit enabling custom Python interfacing with CALPHAD databases and calculations
- PanPhaseDiagram: Phase diagram calculation and visualization
- PanSolidification: Solidification path calculation and visualization
- PanPhaseField: Phase field simulation of microstructure evolution
- PanOptimizer: Optimization of CALPHAD model parameters
- PanEvolution: Simulation of phase transformations and microstructure evolution