# Mechanics Analysis

> Use when the task is to analyze mechanics-relevant quantities from DFT results, including equation-of-state fits, EOS quality descriptors, bulk modulus estimates, elastic tensor summaries, elastic-stability heuristics, anisotropy and hardness descriptors, candidate ranking, stress-state interpretation, and compact markdown reports from finished calculations.

- Skill: `chatmaterials/mechanics-analysis` (Agent Skill, multi-file: 4 files)
- Install (CLI): `npx skillmds@latest add chatmaterials/mechanics-analysis`
- Raw SKILL.md: https://api.skillmd.com/api/skills/chatmaterials/mechanics-analysis/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Docs & Writing
- Author: chatmaterials (https://skillmd.com/u/chatmaterials)
- Updated: 2026-09-17
- Page: https://skillmd.com/skills/chatmaterials/mechanics-analysis

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# Mechanics Analysis

Use this skill for mechanics-oriented post-processing rather than generic workflow setup.

## When to use

- fit an energy-volume curve
- estimate an equilibrium volume and bulk modulus
- judge whether the EOS fit quality looks exact-like, good-fit-like, or noisy
- summarize an elastic tensor
- screen elastic stability heuristics, anisotropy, hardness, and ductility descriptors
- rank multiple mechanics candidates with a compact bulk-plus-stability heuristic
- interpret a stress tensor or stress state
- write a compact mechanics-analysis report from existing calculations

## Use the bundled helpers

- `scripts/analyze_equation_of_state.py`
  Fit a simple quadratic equation of state and estimate bulk modulus plus fit quality descriptors.
- `scripts/analyze_elastic_tensor.py`
  Summarize a 6x6 elastic tensor, estimate Voigt/Reuss/Hill moduli, and report stability, anisotropy, hardness, and ductility heuristics.
- `scripts/analyze_stress_state.py`
  Summarize a stress tensor and estimate mean stress and a von Mises-like equivalent stress.
- `scripts/compare_mechanical_candidates.py`
  Rank multiple cases with a compact bulk-plus-stability screening heuristic.
- `scripts/export_mechanics_report.py`
  Export a markdown mechanics-analysis report.

## Guardrails

- Treat the simple EOS fit as a compact estimate, not a full published EOS treatment.
- State whether the elastic stability criteria used are heuristic or rigorous.
- Distinguish mean stress from a sign-convention-specific pressure.