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v2.0.0

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@Ghoniem Ghoniem released this 01 Oct 11:16
· 39 commits to main since this release
Immutable release. Only release title and notes can be modified.

RadCluster 2.0.0 — graph-based cluster dynamics baseline

This release marks RadCluster_2_0/, the stable two-layer, graph-based cluster dynamics framework for radiation-induced defect evolution, with EUROFER-97 as the reference host material. It is the implementation described in:

N. M. Ghoniem, A Generalized Graph-Based Cluster Dynamics Framework for Irradiated Materials, Journal of Nuclear Materials (submitted, 2026) — docs/Formulation/cluster_dynamics_framework/Generalized_Cluster_Dynamics.pdf

What is in RadCluster_2_0

  • Reaction Admissibility Graph (RAG). The master equation is assembled by walking a graph of admissible elementary reactions drawn from ten abstract edge classes, rather than hand-written per material.
  • Two-layer architecture. A host-independent abstract core (py_utils/core/, cpp_utils/core/) and a EUROFER-97 material declaration (materials/eurofer97/) with the P1–P8 rate kernels.
  • Two equation formulations. Discrete per-size ODEs, or a logarithmic bin-moment grouping with piecewise-constant, hat-function, or log-normal intra-bin closures.
  • Fission and fusion cascade sources, with the corresponding helium–vacancy state-space reductions (decoupled inventory or mean-field loading).
  • Two SIA loop populations, ½⟨111⟩ and ⟨100⟩, coupled through loop-character conversion.
  • Solute trapping and mixed 1D/3D transport for EUROFER-97.
  • C++17 SUNDIALS/CVODE BDF solver with dense, banded, GMRES, or KLU linear solvers, a Woodbury preconditioner, full_system and active_window modes, and an adaptive cluster-size domain.
  • Conservation diagnostics (Frenkel-pair and helium residuals) reported on every run.
  • Driver notebooks and tests: codes/Notebooks/RadCluster_2_0.ipynb, EuroferExperiments.ipynb, and the conservation, convergence, and sweep scripts in codes/Python_Testing/.

Notes

  • The tag snapshots the whole repository at commit 771c787. The tree also contains RadCluster_2_1/, which is under active development and is not part of this release's scope.
  • After this release, RadCluster_2_0/ moves to archive/RadCluster_2_0/ on main as a read-only reference. Check out tag v2.0.0 to get it at its original path.
  • See the repository README.md for installation, inputs, outputs, and how to cite.

Released under the MIT License.