mat-calphad-phase-diagram

What problem does it solve?

It helps you compute and visualize macroscopic temperature–composition (T-x) phase diagrams from pre-fitted CALPHAD thermodynamic database files, avoiding manual plotting and hand-wired thermodynamics workflows.

Core Features & Use Cases

• CALPHAD-based binary phase diagram plotting: Produces solidus/liquidus boundaries, miscibility gaps, and invariant reactions from a provided .tdb file.
• PyCalphad-driven computation: Uses pycalphad to read thermodynamic models, evaluate phases, and generate the plot.
• Binary-only workflow with controlled temperature sampling: Targets two-element systems at a specified pressure (default 1 atm) and temperature range for reproducible curves and clear visualization.
• Verification-ready output: Writes a high-resolution phase_diagram.png for inspection to catch database or convergence artifacts.

Quick Start

Run the provided script with your .tdb file path, two element symbols, a Kelvin temperature range, and an output filename to produce phase_diagram.png.