RadCluster
Graph-based cluster dynamics for irradiated materials
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Solver modes and physics options

Solver modes

Mode Description
full_system CVODE on the full state vector, with a dense, banded, GMRES or KLU sparse-direct linear solver
active_window two independent sliding windows, one over SIA size and one over vacancy size, with an OpenMP-parallel right-hand side

In the active_window mode the number of threads is selected from the sweep length of the right-hand side, and it can be set with the environment variable OMP_NUM_THREADS. The same code path runs on one thread when OpenMP is not available.

Physics options

The physics is selected by two independent choices.

Choice Values Meaning
equations discrete or bin_moment one ODE per size, or the logarithmic bin-moment grouping
cascade fission or fusion the cascade spectrum and the helium reduction

The four combinations map to the strings that are used on disk:

equations cascade physics_option
discrete fission full_CD_fission
discrete fusion full_CD_fusion
bin_moment fission bin_moment_CD_fission
bin_moment fusion bin_moment_CD_fusion

The constructor of RadClusterSimulation accepts either form. The functions make_physics_option() and split_physics_option() convert between them.

Linear solvers

linsol Linear solver
dense dense direct
band banded direct
gmres GMRES, with the Jacobi or the Woodbury preconditioner
klu KLU sparse direct, with a colored finite-difference Jacobian. Discrete equations only

Adaptive size domain

The method run_adaptive() of RadClusterSimulation expands the tracked cluster-size domain when the distribution reaches the top of the grid. The method run() integrates on a fixed domain.

See also
Woodbury preconditioner, State-space reductions