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RadCluster
Graph-based cluster dynamics for irradiated materials
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All physics parameters are in one workbook, radcluster_code/input/input_parameters.xlsx. The class InputData reads it and computes the derived quantities.
The workbook has five sheets:
| Sheet | Content |
|---|---|
| Production | survival efficiency, displacement and helium generation rates, clustered fractions, cascade power-law slopes and cut-offs. One column per spectrum (fission and fusion) |
| Energetics | lattice and elastic constants, atomic volume, formation energies, surface energy, loop Burgers vectors |
| Diffusion | pre-exponentials and migration energies for vacancies, SIAs and helium, 1D-glide parameters, solute concentrations and trap binding energies, mobility cut-offs |
| Dissociation | binding-energy models: void capillarity, helium virial equation of state, loop binding fits, trap-mutation barriers |
| Reactions | geometric prefactors, dislocation bias factors, sink densities, cluster-size limits, the discrete/bin split, solver settings |
Each row of a sheet contains:
The Symbol key is what a run-time override uses:
PARAM_OVERRIDES = {'T': 673.0, 'rho_d': 5e14, 'eta': 0.28}
An override replaces the workbook value for that run only, and it is recorded in the provenance file of the run (see Output directory). Permanent changes belong in the workbook.
Note that physics lives in the workbook and not in the code. The code reads the parameters. It does not hard-code them.