How saadatkhan03/spectra-pka works
SPECTRA-PKA is a command-line Fortran application that computes primary knock-on atom (PKA) spectra from recoil matrices and an irradiation spectrum, then produces channel-specific and summed distributions. Its documented workflow also includes damage-rate evaluation, user-defined output energy grids, stochastic atomistic PKA events, and an optional SDTrimSP BCA interface. Relationships below are based on the README; source excerpts were not available to verify internal call ownership.
Main entry points: spectra-pka.f90 Program entry · tdam.f90 Atomistic PKA events · collapse_xs2.f90 Cross-section collapse · sum_pkas.f90 Nuclide and element sums
Components 24
Inputs and Configuration
- Program entry
spectra-pka.f90 - Input configuration
read_input.f90 - Input/output settings
config_input_output.f90 - Recoil matrices
read_pka.f90 - Irradiation spectrum
read_flux.f90 - FISPACT flux reader
read_flux_fispact.f90 - Shared run state
globals.f90
Spectrum Processing
- Cross-section collapse
collapse_xs2.f90 - Flux collapse
collapse_fluxes.f90 - Damage rates
accuracy.f90 - Capture estimate
ng_estimate.f90
Results and Aggregation
- Channel distributions
output_sum_pkas.f90 - Global distributions
global_sums.f90 - Nuclide and element sums
sum_pkas.f90 - Daughter nuclides
define_daughter.f90 - Output energy grid
create_configs.f90
Atomistic and BCA
- Atomistic PKA events
tdam.f90 - BCC lattice
create_bcc.f90 - FCC lattice
create_fcc.f90 - HCP lattice
create_hcp.f90 - BCA simulation
bca.f90
Other components
- Command-line user
- SDTrimSP
- NJOY recoil data
Connections 22
- Command-line user → Program entry: runs
README.md - Program entry → Input configuration: reads settings
README.md - Input configuration → Input/output settings: sets I/O options
- Program entry → Recoil matrices: reads recoil data
README.md - NJOY recoil data → Recoil matrices: provides matrices
README.md - Program entry → Irradiation spectrum: reads spectrum
README.md - Program entry → FISPACT flux reader: supports flux input
- Program entry → Cross-section collapse: collapses channels
README.md - Irradiation spectrum → Cross-section collapse: weights reactions
README.md - Cross-section collapse → Channel distributions: produces distributions
README.md - Cross-section collapse → Damage rates: evaluates damage
README.md - Program entry → Capture estimate: estimates capture
- Program entry → Output energy grid: accepts custom grid
README.md - Channel distributions → Nuclide and element sums: aggregates recoils
README.md - Nuclide and element sums → Global distributions: forms global averages
README.md - Nuclide and element sums → Daughter nuclides: accounts for products
- Program entry → Atomistic PKA events: defines PKA events
README.md - Atomistic PKA events → BCC lattice: supports BCC cells
- Atomistic PKA events → FCC lattice: supports FCC cells
- Atomistic PKA events → HCP lattice: supports HCP cells
README.md - Atomistic PKA events → BCA simulation: simulates cascades
README.md - BCA simulation → SDTrimSP: interfaces with
README.md