How do I install the Mat Calphad Phase Diagram skill?

Run npx skillmds@latest add learningmatter-mit/mat-calphad-phase-diagram in your terminal (requires Node.js), paste this page's agent-chat prompt into Claude, Cursor, or any MCP-connected agent, or download the SKILL.md file and copy it into your agent's skills directory.

Is Mat Calphad Phase Diagram safe to use?

This skill has not completed SkillMD's automated safety review yet. Capability flags: executes scripts, makes network calls. SkillMD never runs a skill's scripts for you; review the SKILL.md before installing.

Which AI agents work with Mat Calphad Phase Diagram?

This skill is tagged as working with Claude Code, Claude.ai, OpenAI Codex. SKILL.md is an open format, so most agents that read a skills directory can load it too.

Is Mat Calphad Phase Diagram free to use?

Yes. Installing skills from SkillMD is free, and the skill stays under its author's original license.

Who published Mat Calphad Phase Diagram?

learningmatter-mit (@learningmatter-mit) published this skill. Their other Agent Skills are listed on their SkillMD profile.

Mat Calphad Phase Diagram by learningmatter-mit

Name: Mat Calphad Phase Diagram
Rating: 4.5 (4 reviews)
Author: learningmatter-mit

File contents

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

--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.

3. Verification

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).

Examples

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

Constraints

Databases: This skill strictly requires a valid .tdb file.
Environments: Scripts require the calphad-agent Conda environment because it isolates pycalphad.
Multicomponent: This specific plotting script focuses on Binary Systems. Ternary isotherms require a separate script not yet implemented.

References

Richard Otis and Zi-Kui Liu. "pycalphad: CALPHAD-based Computational Thermodynamics in Python." Journal of Open Research Software 5.1 (2017). DOI
S. Mey, "Re-evaluation of the Al-Zn system", Z. Metallkd. 84(7) (1993) 451-455.

Author: Bowen Deng Contact: GitHub @learningmatter-mit

---name: mat-calphad-phase-diagramdescription: Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods.---# mat-calphad-phase-diagram## GoalTo 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 DatabaseYou 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 DiagramUse the provided python script to generate the $T-x$ boundary plot.```bash# Env: calphad-agentpython .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.### 3. VerificationUse 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).## ExamplesPlotting the classic Aluminum-Zinc Phase Diagram (Mey 1993):```bash# Env: calphad-agentpython .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```## Constraints- **Databases**: This skill strictly requires a valid `.tdb` file.- **Environments**: Scripts require the `calphad-agent` Conda environment because it isolates `pycalphad`.- **Multicomponent**: This specific plotting script focuses on Binary Systems. Ternary isotherms require a separate script not yet implemented.## References- Richard Otis and Zi-Kui Liu. "pycalphad: CALPHAD-based Computational Thermodynamics in Python." *Journal of Open Research Software* 5.1 (2017). [DOI](https://doi.org/10.5334/jors.140)- S. Mey, "Re-evaluation of the Al-Zn system", *Z. Metallkd.* 84(7) (1993) 451-455.---**Author:** Bowen Deng**Contact:** [GitHub @learningmatter-mit](https://github.com/learningmatter-mit)

Frequently asked questions

Mat Calphad Phase Diagram