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Implement temperature interpolation

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This commit is contained in:
Paul Romano 2016-09-13 11:34:14 +02:00
parent 81c3bb593d
commit 9de22b96b3
5 changed files with 131 additions and 37 deletions
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10
docs/source/usersguide/input.rst
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@ -725,10 +725,12 @@ a material default temperature.
``<temperature_method>`` Element
--------------------------------
The ``<temperature_method>`` element has an accepted value of "nearest" or
"interpolation". A value of "nearest" indicates that for each cell, the nearest
temperature at which cross sections are given is to be applied, within a given
tolerance (see :ref:`temperature_tolerance`). A value of "multipole" indicates
The ``<temperature_method>`` element has an accepted value of "nearest",
"interpolation", or "multipole". A value of "nearest" indicates that for each
cell, the nearest temperature at which cross sections are given is to be
applied, within a given tolerance (see :ref:`temperature_tolerance`). A value of
"interpolation" indicates that cross sections are to be interpolated between
temperatures at which nuclear data are present. A value of "multipole" indicates
that the windowed multipole method should be used to evaluate
temperature-dependent cross sections in the resolved resonance range (a
:ref:`windowed multipole library <multipole_library>` must also be available).

51
src/cross_section.F90
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@ -162,15 +162,33 @@ contains
! temperature. Note that there is no tolerance here, so this
! temperature could be very far off!
kT = sqrtkT**2
i_temp = minloc(abs(nuclides(i_nuclide) % kTs - kT), dim=1)
end if
else
! If not using multipole data, do a linear search on temperature
kT = sqrtkT**2
do i_temp = 1, size(nuclides(i_nuclide) % kTs)
if (abs(nuclides(i_nuclide) % kTs(i_temp) - kT) < &
K_BOLTZMANN*temperature_tolerance) exit
end do
select case (temperature_method)
case (TEMPERATURE_NEAREST)
! If using nearest temperature, do linear search on temperature
do i_temp = 1, size(nuc % kTs)
if (abs(nuc % kTs(i_temp) - kT) < K_BOLTZMANN * &
temperature_tolerance) exit
end do
case (TEMPERATURE_INTERPOLATION)
! Find temperatures that bound the actual temperature
do i_temp = 1, size(nuc % kTs) - 1
if (nuc % kTs(i_temp) <= kT .and. kT < nuc % kTs(i_temp + 1)) exit
end do
! Randomly sample between temperature i and i+1
f = (kT - nuc % kTs(i_temp)) / &
(nuc % kTs(i_temp + 1) - nuc % kTs(i_temp))
if (f > prn()) i_temp = i_temp + 1
case (TEMPERATURE_MULTIPOLE)
i_temp = minloc(abs(nuclides(i_nuclide) % kTs - kT), dim=1)
end select
end if
! Evaluate multipole or interpolate
@ -317,10 +335,25 @@ contains
! Determine temperature for S(a,b) table
kT = sqrtkT**2
do i_temp = 1, size(sab_tables(i_sab) % kTs)
if (abs(sab_tables(i_sab) % kTs(i_temp) - kT) < &
K_BOLTZMANN*temperature_tolerance) exit
end do
if (temperature_method == TEMPERATURE_NEAREST) then
! If using nearest temperature, do linear search on temperature
do i_temp = 1, size(sab_tables(i_sab) % kTs)
if (abs(sab_tables(i_sab) % kTs(i_temp) - kT) < &
K_BOLTZMANN*temperature_tolerance) exit
end do
else
! Find temperatures that bound the actual temperature
do i_temp = 1, size(sab_tables(i_sab) % kTs) - 1
if (sab_tables(i_sab) % kTs(i_temp) <= kT .and. &
kT < sab_tables(i_sab) % kTs(i_temp + 1)) exit
end do
! Randomly sample between temperature i and i+1
f = (kT - sab_tables(i_sab) % kTs(i_temp)) / &
(sab_tables(i_sab) % kTs(i_temp + 1) - sab_tables(i_sab) % kTs(i_temp))
if (f > prn()) i_temp = i_temp + 1
end if
! Get pointer to S(a,b) table
associate (sab => sab_tables(i_sab) % data(i_temp))

4
src/input_xml.F90
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@ -4948,7 +4948,7 @@ contains
call names % push_back('Ga0')
call densities % push_back(density)
else
call names % push_back('Ha69')
call names % push_back('Ga69')
call densities % push_back(density * 0.60108_8)
call names % push_back('Ga71')
call densities % push_back(density * 0.39892_8)
@ -5840,7 +5840,7 @@ contains
file_id = file_open(libraries(i_library) % path, 'r')
group_id = open_group(file_id, name)
call sab_tables(i_sab) % from_hdf5(group_id, sab_temps(i_sab), &
temperature_tolerance)
temperature_method, temperature_tolerance)
call close_group(group_id)
call file_close(file_id)

32
src/nuclide_header.F90
View file

@ -241,11 +241,13 @@ module nuclide_header
call read_dataset(temps_available(i), kT_group, trim(dset_names(i)))
temps_available(i) = temps_available(i) / K_BOLTZMANN
end do
call sort(temps_available)
! Determine actual temperatures to read
select case (method)
case (TEMPERATURE_NEAREST)
! Determine actual temperatures to read
TEMP_LOOP: do i = 1, temperature % size()
! Find nearest temperatures
do i = 1, temperature % size()
temp_desired = temperature % data(i)
i_closest = minloc(abs(temps_available - temp_desired), dim=1)
temp_actual = temps_available(i_closest)
@ -265,11 +267,31 @@ module nuclide_header
&for " // trim(this % name) // " at or near " // &
trim(to_str(nint(temp_desired))) // " K.")
end if
end do TEMP_LOOP
end do
case (TEMPERATURE_INTERPOLATION)
! TODO: Get bounding temperatures
call fatal_error("Temperature interpolation not yet implemented")
! If temperature interpolation or multipole is selected, get a list of
! bounding temperatures for each actual temperature present in the model
TEMP_LOOP: do i = 1, temperature % size()
temp_desired = temperature % data(i)
do j = 1, size(temps_available) - 1
if (temps_available(j) <= temp_desired .and. &
temp_desired < temps_available(j + 1)) then
if (find(temps_to_read, nint(temps_available(j))) == -1) then
call temps_to_read % push_back(nint(temps_available(j)))
end if
if (find(temps_to_read, nint(temps_available(j + 1))) == -1) then
call temps_to_read % push_back(nint(temps_available(j + 1)))
end if
cycle TEMP_LOOP
end if
end do
call fatal_error("Nuclear data library does not contain cross sections &
&for " // trim(this % name) // " at temperatures that bound " // &
trim(to_str(nint(temp_desired))) // " K.")
end do TEMP_LOOP
case (TEMPERATURE_MULTIPOLE)
! Add first available temperature

71
src/sab_header.F90
View file

@ -80,10 +80,11 @@ module sab_header
contains
subroutine salphabeta_from_hdf5(this, group_id, temperature, tolerance)
subroutine salphabeta_from_hdf5(this, group_id, temperature, method, tolerance)
class(SAlphaBeta), intent(inout) :: this
integer(HID_T), intent(in) :: group_id
type(VectorReal), intent(in) :: temperature ! list of temperatures
integer, intent(in) :: method
real(8), intent(in) :: tolerance
integer :: i, j
@ -142,25 +143,55 @@ contains
call read_dataset(temps_available(i), kT_group, trim(dset_names(i)))
temps_available(i) = temps_available(i) / K_BOLTZMANN
end do
call sort(temps_available)
! Determine actual temperatures to read
TEMP_LOOP: do i = 1, temperature % size()
temp_desired = temperature % data(i)
i_closest = minloc(abs(temps_available - temp_desired), dim=1)
temp_actual = temps_available(i_closest)
if (abs(temp_actual - temp_desired) < tolerance) then
if (find(temps_to_read, nint(temp_actual)) == -1) then
call temps_to_read % push_back(nint(temp_actual))
select case (method)
case (TEMPERATURE_NEAREST)
! Determine actual temperatures to read
do i = 1, temperature % size()
temp_desired = temperature % data(i)
i_closest = minloc(abs(temps_available - temp_desired), dim=1)
temp_actual = temps_available(i_closest)
if (abs(temp_actual - temp_desired) < tolerance) then
if (find(temps_to_read, nint(temp_actual)) == -1) then
call temps_to_read % push_back(nint(temp_actual))
end if
else
call fatal_error("Nuclear data library does not contain cross sections &
&for " // trim(this % name) // " at or near " // &
trim(to_str(nint(temp_desired))) // " K.")
end if
else
call fatal_error("Nuclear data library does not contain cross sections &
&for " // trim(this % name) // " at or near " // &
trim(to_str(nint(temp_desired))) // " K.")
end if
end do TEMP_LOOP
end do
! TODO: If using interpolation, add a block to add bounding temperatures for
! each
case (TEMPERATURE_INTERPOLATION)
! If temperature interpolation or multipole is selected, get a list of
! bounding temperatures for each actual temperature present in the model
TEMP_LOOP: do i = 1, temperature % size()
temp_desired = temperature % data(i)
do j = 1, size(temps_available) - 1
if (temps_available(j) <= temp_desired .and. &
temp_desired < temps_available(j + 1)) then
if (find(temps_to_read, nint(temps_available(j))) == -1) then
call temps_to_read % push_back(nint(temps_available(j)))
end if
if (find(temps_to_read, nint(temps_available(j + 1))) == -1) then
call temps_to_read % push_back(nint(temps_available(j + 1)))
end if
cycle TEMP_LOOP
end if
end do
call fatal_error("Nuclear data library does not contain cross sections &
&for " // trim(this % name) // " at temperatures that bound " // &
trim(to_str(nint(temp_desired))) // " K.")
end do TEMP_LOOP
case (TEMPERATURE_MULTIPOLE)
! Add first available temperature
call temps_to_read % push_back(nint(temps_available(1)))
end select
! Sort temperatures to read
call sort(temps_to_read)
@ -301,6 +332,12 @@ contains
end do
end associate
end do
! Clear data on correlated angle-energy object
deallocate(correlated_dist % breakpoints)
deallocate(correlated_dist % interpolation)
deallocate(correlated_dist % energy)
deallocate(correlated_dist % distribution)
end if
call close_group(inelastic_group)