Tools¶
The physics and derivations behind MaterialsFramework's standalone tools. See Usage for runnable examples, or API Reference for the full parameter list.
| Topic | Description |
|---|---|
| Bond Lattice Parameter | Lattice parameter estimation from bond lengths for FCC/BCC/HCP alloys |
| Phase Field Model (Cahn-Hilliard) | Cahn-Hilliard phase-field simulations |
| Cluster Expansion | Cluster expansion model construction and fitting |
| PhaseForge | Converts SQS output to TDB format for CALPHAD workflows |
| Special Quasirandom Structures | SQS generation |
| StabilityMap | Composition-temperature stability map generation |
TrajectoryObserver has no dedicated theory page. It only records what the calculator already computed at each step; see its Usage page.