| # Repair an inconsistent alloy equilibrium assessment |
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| A materials-thermodynamics group is replaying literature-linked alloy studies |
| with the supplied historical pycalphad source and databases. The calculations |
| complete and return finite datasets, but several observations no longer agree |
| with the group's archived results: |
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| - a composition-temperature phase boundary moves when an equivalent database |
| representation is admitted to the same assessment; |
| - the associated phase fractions and internal-state evolution cease to form a |
| physically consistent transition; |
| - chemical-potential and heat-response curves disagree with the corresponding |
| baseline calculation; and |
| - the equilibrium topology depends on a representation that should not create |
| a new thermodynamic state for the requested components. |
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| Run the offline workflow, inspect the databases and source snapshot, and repair |
| the scientific |
| implementation. Determine the common cause rather than treating the symptoms |
| independently. The repair must generalize to other valid CALPHAD database |
| representations and supported phase states while preserving public APIs and |
| unrelated model behavior. |
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| Do not hard-code the supplied grids or generated artifacts, and do not modify |
| the scientific input files. The public workflow only establishes that the real |
| project calculation runs and saves results; correctness is evaluated on |
| independent scientific cases. |
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