mat-calphad-phase-diagram

Goal

To plot macroscopic metallurgical Temperature-composition ($T-x$) binary phase diagrams using the CALPHAD methodology from pre-fitted .tdb thermodynamic databases. This enables the prediction of solidus/liquidus lines, miscibility gaps, and invariant reactions (e.g. eutectics).

Instructions

1. Identify Thermodynamic Database

You must obtain a legitimate .tdb (Thermodynamic Data Base) file for the chemical system of interest.

• You can find databases in published literature or open repositories (like PyCalphad's databases).

2. Plot the Phase Diagram

Use the provided python script to generate the $T-x$ boundary plot.

# Env: calphad-agent
python .agents/skills/mat-calphad-phase-diagram/scripts/plot_phase_diagram.py path/to/database.tdb --elements Element1 Element2 --t-range 300 1000 10 --output research_dir/phase_diagram.png