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Don't pre-calculate depletion reactions during inactive batches
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Paul Romano
parent
9ff4e620b6
commit
1a5ebc7aab
1 changed files with 71 additions and 53 deletions
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@ -15,6 +15,7 @@ module cross_section
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use sab_header, only: SAlphaBeta, sab_tables
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use settings
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use simulation_header
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use tally_header, only: active_tallies
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implicit none
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@ -38,6 +39,9 @@ contains
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real(8) :: atom_density ! atom density of a nuclide
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real(8) :: sab_frac ! fraction of atoms affected by S(a,b)
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logical :: check_sab ! should we check for S(a,b) table?
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logical :: in_active ! are we in active batches?
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in_active = (active_tallies % size() > 0)
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! Set all material macroscopic cross sections to zero
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material_xs % total = ZERO
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@ -107,7 +111,7 @@ contains
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.or. i_sab /= micro_xs(i_nuclide) % index_sab &
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.or. sab_frac /= micro_xs(i_nuclide) % sab_frac) then
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call calculate_nuclide_xs(i_nuclide, i_sab, p % E, i_grid, &
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p % sqrtkT, sab_frac)
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p % sqrtkT, sab_frac, in_active)
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end if
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! ======================================================================
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@ -136,29 +140,31 @@ contains
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material_xs % nu_fission = material_xs % nu_fission + &
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atom_density * micro_xs(i_nuclide) % nu_fission
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! Add contributions to material macroscopic n2n cross section
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material_xs % n2n = material_xs % n2n + &
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atom_density * micro_xs(i_nuclide) % n2n
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if (in_active) then
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! Add contributions to material macroscopic n2n cross section
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material_xs % n2n = material_xs % n2n + &
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atom_density * micro_xs(i_nuclide) % n2n
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! Add contributions to material macroscopic n3n cross section
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material_xs % n3n = material_xs % n3n + &
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atom_density * micro_xs(i_nuclide) % n3n
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! Add contributions to material macroscopic n3n cross section
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material_xs % n3n = material_xs % n3n + &
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atom_density * micro_xs(i_nuclide) % n3n
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! Add contributions to material macroscopic n4n cross section
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material_xs % n4n = material_xs % n4n + &
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atom_density * micro_xs(i_nuclide) % n4n
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! Add contributions to material macroscopic n4n cross section
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material_xs % n4n = material_xs % n4n + &
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atom_density * micro_xs(i_nuclide) % n4n
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! Add contributions to material macroscopic ngamma cross section
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material_xs % ngamma = material_xs % ngamma + &
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atom_density * micro_xs(i_nuclide) % ngamma
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! Add contributions to material macroscopic ngamma cross section
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material_xs % ngamma = material_xs % ngamma + &
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atom_density * micro_xs(i_nuclide) % ngamma
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! Add contributions to material macroscopic np cross section
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material_xs % np = material_xs % np + &
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atom_density * micro_xs(i_nuclide) % np
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! Add contributions to material macroscopic np cross section
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material_xs % np = material_xs % np + &
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atom_density * micro_xs(i_nuclide) % np
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! Add contributions to material macroscopic nalpha cross section
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material_xs % nalpha = material_xs % nalpha + &
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atom_density * micro_xs(i_nuclide) % nalpha
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! Add contributions to material macroscopic nalpha cross section
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material_xs % nalpha = material_xs % nalpha + &
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atom_density * micro_xs(i_nuclide) % nalpha
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end if
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end do
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end associate
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@ -170,7 +176,7 @@ contains
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!===============================================================================
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subroutine calculate_nuclide_xs(i_nuclide, i_sab, E, i_log_union, sqrtkT, &
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sab_frac)
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sab_frac, in_active)
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integer, intent(in) :: i_nuclide ! index into nuclides array
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integer, intent(in) :: i_sab ! index into sab_tables array
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real(8), intent(in) :: E ! energy
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@ -178,6 +184,7 @@ contains
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! material union energy grid
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real(8), intent(in) :: sqrtkT ! square root of kT, material dependent
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real(8), intent(in) :: sab_frac ! fraction of atoms affected by S(a,b)
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logical, intent(in) :: in_active
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logical :: use_mp ! true if XS can be calculated with windowed multipole
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integer :: i_temp ! index for temperature
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@ -185,19 +192,14 @@ contains
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integer :: i_low ! lower logarithmic mapping index
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integer :: i_high ! upper logarithmic mapping index
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integer :: i_rxn ! reaction index
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integer :: j
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real(8) :: val
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integer :: j ! index in DEPLETION_RX
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real(8) :: val ! temporary xs value
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real(8) :: f ! interp factor on nuclide energy grid
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real(8) :: kT ! temperature in eV
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real(8) :: sigT, sigA, sigF ! Intermediate multipole variables
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integer, parameter :: DEPLETION_RX(6) = [N_2N, N_3N, N_4N, N_GAMMA, N_P, N_A]
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! Initialize cached cross sections to zero
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micro_xs(i_nuclide) % n2n = ZERO
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micro_xs(i_nuclide) % n3n = ZERO
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micro_xs(i_nuclide) % n4n = ZERO
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micro_xs(i_nuclide) % np = ZERO
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micro_xs(i_nuclide) % nalpha = ZERO
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micro_xs(i_nuclide) % thermal = ZERO
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micro_xs(i_nuclide) % thermal_elastic = ZERO
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@ -227,7 +229,15 @@ contains
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micro_xs(i_nuclide) % fission = ZERO
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micro_xs(i_nuclide) % nu_fission = ZERO
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end if
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micro_xs(i_nuclide) % ngamma = sigF - sigA
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if (in_active) then
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micro_xs(i_nuclide) % ngamma = sigA - sigF
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micro_xs(i_nuclide) % n2n = ZERO
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micro_xs(i_nuclide) % n3n = ZERO
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micro_xs(i_nuclide) % n4n = ZERO
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micro_xs(i_nuclide) % np = ZERO
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micro_xs(i_nuclide) % nalpha = ZERO
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end if
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! Ensure these values are set
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! Note, the only time either is used is in one of 4 places:
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@ -321,31 +331,39 @@ contains
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end associate
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! Depletion-related reactions
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do j = 1, 6
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i_rxn = nuc % rxn_index_MT(DEPLETION_RX(j))
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if (i_rxn > 0) then
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associate (xs => nuc % reactions(i_rxn) % xs(i_temp))
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if (i_grid >= xs % threshold) then
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val = (ONE - f) * xs % value(i_grid - xs % threshold + 1) + &
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f * xs % value(i_grid - xs % threshold + 2)
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select case (DEPLETION_RX(j))
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case (N_2N)
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micro_xs(i_nuclide) % n2n = val
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case (N_3N)
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micro_xs(i_nuclide) % n3n = val
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case (N_4N)
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micro_xs(i_nuclide) % n4n = val
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case (N_GAMMA)
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micro_xs(i_nuclide) % ngamma = val
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case (N_P)
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micro_xs(i_nuclide) % np = val
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case (N_A)
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micro_xs(i_nuclide) % nalpha = val
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end select
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end if
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end associate
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end if
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end do
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if (in_active) then
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do j = 1, 6
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i_rxn = nuc % rxn_index_MT(DEPLETION_RX(j))
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if (i_rxn > 0) then
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associate (xs => nuc % reactions(i_rxn) % xs(i_temp))
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if (i_grid >= xs % threshold) then
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val = (ONE - f) * xs % value(i_grid - xs % threshold + 1) + &
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f * xs % value(i_grid - xs % threshold + 2)
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else
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val = ZERO
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end if
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end associate
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else
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val = ZERO
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end if
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select case (DEPLETION_RX(j))
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case (N_2N)
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micro_xs(i_nuclide) % n2n = val
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case (N_3N)
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micro_xs(i_nuclide) % n3n = val
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case (N_4N)
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micro_xs(i_nuclide) % n4n = val
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case (N_GAMMA)
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micro_xs(i_nuclide) % ngamma = val
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case (N_P)
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micro_xs(i_nuclide) % np = val
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case (N_A)
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micro_xs(i_nuclide) % nalpha = val
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end select
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end do
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end if
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end if
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! Initialize sab treatment to false
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