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CALPHAD Thermodynamic Modeling L1-329

Materials ScienceMulti-component phase equilibriaδ=5 · challengingL_DAG = 3.3📋 Stub — not mineable
📋

Unclaimed Principle — open for contribution

This Principle is declared in the catalog but has no reference solver, no pinned dataset, and is not registered on-chain. There is no reward pool. Submitting a cert against this Principle today will record the cert for reproducibility but pay zero PWM.

To claim it as a Bounty #7 contribution: open a PR adding (1) a reference solver, (2) ≥1 dataset pinned to IPFS, (3) updates to the L3 manifest with dataset CIDs. After verifier-agent triple-review, the founders' 3-of-5 multisig signs PWMRegistry.register() and the Principle becomes mineable.

Forward model E

CALPHAD (CALculation of PHAse Diagrams): parameterize Gibbs energy G_phase(T, x) for each phase; minimize total G subject to mass-balance to obtain equilibrium phase fractions and compositions.

L-DAG

E.gibbs_surface -> O.regularize -> O.phase_equilibrium
E.gibbs_surfaceO.regularizeO.phase_equilibrium

Well-posedness W

Existence:
true
Uniqueness:
true
Stability:
conditional
κ:
200

Convex per phase but multi-phase minimization is non-convex; consistent globally with Gibbs phase rule.

Solvability C

Solver class:
Thermo-Calc / OpenCalphad Gibbs energy minimizer; parameter fit with CALTPP
Convergence rate q:
2
Complexity:
principle-dependent

Specs (0)

No L2 specs registered yet for this principle.