القائمة
Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods.
التثبيت باستخدام Codex أو Claude انسخ هذا Prompt والصقه في Codex أو Claude أو مساعد آخر ليراجع صفحة Skill ويثبّتها لك.
استنادا إلى تصنيف SOC المهني
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| name | mat-calphad-phase-diagram |
| description | Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods. |
| category | materials |
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).
You must obtain a legitimate .tdb (Thermodynamic Data Base) file for the chemical system of interest.
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
--elements: The two chemical symbols to plot. The script computes the binary system.--t-range: START STOP STEP in Kelvin. It is recommended to use a step of 10 for reasonable trade-offs between calculation speed and curve smoothness.Use a visual inspection tool to verify the resulting phase_diagram.png. Ensure that phase labels are clearly visible and there are no overlapping disjoint calculation artifacts (indicative of a database convergence issue).
Plotting the classic Aluminum-Zinc Phase Diagram (Mey 1993):
# Env: calphad-agent
python .agents/skills/mat-calphad-phase-diagram/scripts/plot_phase_diagram.py .agents/skills/mat-calphad-phase-diagram/examples/Al-Zn/alzn_mey.tdb --elements Al Zn --t-range 300 1000 10 --output Al-Zn_diagram.png
.tdb file.calphad-agent Conda environment because it isolates pycalphad.Author: Bowen Deng Contact: GitHub @learningmatter-mit