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Improve diff tally docs and comments

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Sterling Harper 2016-01-19 20:39:23 -05:00
parent e2c2f8c939
commit ed56a68215
9 changed files with 109 additions and 26 deletions
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21
docs/source/usersguide/input.rst
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@ -1618,6 +1618,27 @@ The ``<tally>`` element accepts the following sub-elements:
*Default*: "all"
:derivative:
Tally the first-order derivative of the quantity of interest with respect to
some material perturbation. Differential tallies are currently only
implemented for collision and analog estimators.
The ``derivative`` element has the following attributes/sub-elements:
:variable:
The independent variable of the derivative. Accepted options are
"density" and "nuclide_density". A "density" derivative will give the
derivative with respect to the density of the material in [g / cm^3]. A
"nuclide_density" derivative will give the derivative with respect to
the density of a particular nuclide in units of [atom / b / cm].
:material:
The perturbed material. (Necessary for both "density" and
"nuclide_density")
:nuclide:
The perturbed nuclide. (Necessary only for "nuclide_density")
``<mesh>`` Element
------------------

4
src/input_xml.F90
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@ -2996,11 +2996,11 @@ contains
select case(temp_str)
case("density")
t % deriv % dep_var = DIFF_DENSITY
t % deriv % variable = DIFF_DENSITY
call get_node_value(node_deriv, "material", t % deriv % diff_material)
case("nuclide_density")
t % deriv % dep_var = DIFF_NUCLIDE_DENSITY
t % deriv % variable = DIFF_NUCLIDE_DENSITY
call get_node_value(node_deriv, "material", t % deriv % diff_material)
call get_node_value(node_deriv, "nuclide", word)

2
src/output.F90
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@ -1019,7 +1019,7 @@ contains
! Write derivative information.
if (allocated(t % deriv)) then
select case (t % deriv % dep_var)
select case (t % deriv % variable)
case (DIFF_DENSITY)
write(unit=unit_tally, fmt="(' Density derivative Material ',A)") &
to_str(t % deriv % diff_material)

8
src/relaxng/tallies.rnc
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@ -41,7 +41,13 @@ element tallies {
(element type { xsd:string } | attribute type { xsd:string }) &
(element threshold { xsd:double} | attribute threshold { xsd:double }) &
(element scores { list { xsd:string { maxLength = "20" }+ } } | attribute scores { list { xsd:string { maxLength = "20"}+ } } )?
}*
}* &
element derivative {
(element variable { ( "density" | "nuclide_density") } |
attribute variable { ( "density" | "nuclide_density") } ) &
(element material { xsd:int } | attribute material { xsd:int }) &
(element nuclide { xsd:string } | attribute nuclide { xsd:string })?
}?
}* &
element assume_separate { xsd:boolean }?

34
src/relaxng/tallies.rng
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@ -260,5 +260,39 @@
<data type="boolean"/>
</element>
</optional>
<optional>
<element name="derivative">
<choice>
<element name="variable">
<choice>
<value>density</value>
<value>nuclide_density</value>
</choice>
</element>
<attribute name="variable">
<choice>
<value>density</value>
<value>nuclide_density</value>
</choice>
</attribute>
</choice>
<choice>
<element name="material">
<data type="int"/>
</element>
<attribute name="material">
<data type="int"/>
</attribute>
</choice>
<optional>
<element name="nuclide">
<data type="string"/>
</element>
<attribute name="nuclide">
<data type="string"/>
</attribute>
</optional>
</element>
</optional>
</interleave>
</element>

2
src/state_point.F90
View file

@ -311,7 +311,7 @@ contains
if (allocated(tally % deriv)) then
call write_dataset(tally_group, "derivative present", 1)
deriv_group = create_group(tally_group, "derivative")
select case (tally % deriv % dep_var)
select case (tally % deriv % variable)
case (DIFF_DENSITY)
call write_dataset(deriv_group, "dependent variable", "density")
call write_dataset(deriv_group, "material", &

55
src/tally.F90
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@ -772,7 +772,7 @@ contains
end if
case (ESTIMATOR_COLLISION)
if (t % deriv % dep_var == DIFF_NUCLIDE_DENSITY) then
if (t % deriv % variable == DIFF_NUCLIDE_DENSITY) then
scoring_diff_nuclide = &
(materials(p % material) % id == t % deriv % diff_material) &
.and. (i_nuclide == t % deriv % diff_nuclide)
@ -801,7 +801,7 @@ contains
score = score * t % deriv % flux_deriv
case (SCORE_TOTAL)
select case (t % deriv % dep_var)
select case (t % deriv % variable)
case (DIFF_NUCLIDE_DENSITY)
if (i_nuclide == -1 .and. &
@ -819,7 +819,7 @@ contains
end select
case (SCORE_ABSORPTION)
select case (t % deriv % dep_var)
select case (t % deriv % variable)
case (DIFF_NUCLIDE_DENSITY)
if (i_nuclide == -1 .and. &
@ -837,7 +837,7 @@ contains
end select
case (SCORE_FISSION)
select case (t % deriv % dep_var)
select case (t % deriv % variable)
case (DIFF_NUCLIDE_DENSITY)
if (i_nuclide == -1 .and. &
@ -855,7 +855,7 @@ contains
end select
case (SCORE_NU_FISSION)
select case (t % deriv % dep_var)
select case (t % deriv % variable)
case (DIFF_NUCLIDE_DENSITY)
if (i_nuclide == -1 .and. &
@ -873,7 +873,7 @@ contains
end select
case (SCORE_KEFF)
select case (t % deriv % dep_var)
select case (t % deriv % variable)
case (DIFF_DENSITY)
score = score * t % deriv % flux_deriv
@ -2383,12 +2383,13 @@ contains
end subroutine score_surface_current
!===============================================================================
! SCORE_TRACK_DERIVATIVE
! SCORE_TRACK_DERIVATIVE Adjust flux derivatives on differential tallies to
! account for a neutron travelling through a perturbed material.
!===============================================================================
subroutine score_track_derivative(p, distance)
type(particle), intent(in) :: p
real(8), intent(in) :: distance
real(8), intent(in) :: distance ! Neutron flight distance
integer :: i
@ -2396,13 +2397,16 @@ contains
do i = 1, active_tallies % size()
associate (t => tallies(active_tallies % get_item(i)))
if (.not. allocated(t % deriv)) cycle
if (.not. allocated(t % deriv)) cycle ! Ignore non-differential tallies
select case (t % deriv % dep_var)
select case (t % deriv % variable)
case (DIFF_DENSITY)
associate (mat => materials(p % material))
if (mat % id == t % deriv % diff_material) then
! phi = e^(-Sigma_tot * dist)
! (1 / phi) * (d_phi / d_rho) = - (d_Sigma_tot / d_rho) * dist
! (1 / phi) * (d_phi / d_rho) = - Sigma_tot / rho * dist
t % deriv % flux_deriv = t % deriv % flux_deriv &
- distance * material_xs % total / mat % density_gpcc
end if
@ -2411,6 +2415,9 @@ contains
case (DIFF_NUCLIDE_DENSITY)
associate (mat => materials(p % material))
if (mat % id == t % deriv % diff_material) then
! phi = e^(-Sigma_tot * dist)
! (1 / phi) * (d_phi / d_N) = - (d_Sigma_tot / d_N) * dist
! (1 / phi) * (d_phi / d_N) = - sigma_tot * dist
t % deriv % flux_deriv = t % deriv % flux_deriv &
- distance * micro_xs(t % deriv % diff_nuclide) % total
end if
@ -2418,10 +2425,11 @@ contains
end select
end associate
end do
end subroutine
end subroutine score_track_derivative
!===============================================================================
! SCORE_COLLISION_DERIVATIVE
! SCORE_COLLISION_DERIVATIVE Adjust flux derivatives on differential tallies to
! account for a neutron colliding in the perturbed material.
!===============================================================================
subroutine score_collision_derivative(p)
@ -2433,12 +2441,15 @@ contains
do i = 1, active_tallies % size()
associate (t => tallies(active_tallies % get_item(i)))
if (.not. allocated(t % deriv)) cycle
select case (t % deriv % dep_var)
if (.not. allocated(t % deriv)) cycle ! Ignore non-differential tallies
select case (t % deriv % variable)
case (DIFF_DENSITY)
associate (mat => materials(p % material))
if (mat % id == t % deriv % diff_material) then
! phi = Sigma_MT
! (1 / phi) * (d_phi / d_rho) = (d_Sigma_MT / d_rho) / Sigma_MT
! (1 / phi) * (d_phi / d_rho) = 1 / rho
t % deriv % flux_deriv = t % deriv % flux_deriv &
+ ONE / mat % density_gpcc
end if
@ -2448,12 +2459,18 @@ contains
associate (mat => materials(p % material))
if (mat % id == t % deriv % diff_material &
.and. p % event_nuclide == t % deriv % diff_nuclide) then
! Find the index in this material for the diff_nuclide.
do j = 1, mat % n_nuclides
if (mat % nuclide(j) == t % deriv % diff_nuclide) exit
end do
! Make sure we found the nuclide.
if (mat % nuclide(j) /= t % deriv % diff_nuclide) then
call fatal_error("Couldn't find the right nuclide.")
end if
! phi = Sigma_MT
! (1 / phi) * (d_phi / d_N) = (d_Sigma_MT / d_N) / Sigma_MT
! (1 / phi) * (d_phi / d_N) = sigma_MT / Sigma_MT
! (1 / phi) * (d_phi / d_N) = 1 / N
t % deriv % flux_deriv = t % deriv % flux_deriv &
+ ONE / mat % atom_density(j)
end if
@ -2461,16 +2478,20 @@ contains
end select
end associate
end do
end subroutine
end subroutine score_collision_derivative
subroutine clear_diff_flux_derivs()
!===============================================================================
! ZERO_FLUX_DERIVS Set the flux derivatives on differential tallies to zero.
!===============================================================================
subroutine zero_flux_derivs()
integer :: i
do i = 1, n_tallies
if (allocated(tallies(i) % deriv)) then
tallies(i) % deriv % flux_deriv = ZERO
end if
end do
end subroutine
end subroutine zero_flux_derivs
!===============================================================================
! GET_NEXT_BIN determines the next scoring bin for a particular filter variable

5
src/tally_header.F90
View file

@ -61,12 +61,13 @@ module tally_header
!===============================================================================
! TALLYDERIVATIVE
! TALLYDERIVATIVE describes a first-order derivative that can be applied to
! tallies.
!===============================================================================
type TallyDerivative
real(8) :: flux_deriv
integer :: dep_var
integer :: variable
integer :: diff_material
integer :: diff_nuclide
end type TallyDerivative

4
src/tracking.F90
View file

@ -15,7 +15,7 @@ module tracking
use tally, only: score_analog_tally, score_tracklength_tally, &
score_collision_tally, score_surface_current, &
score_track_derivative, &
score_collision_derivative, clear_diff_flux_derivs
score_collision_derivative, zero_flux_derivs
use track_output, only: initialize_particle_track, write_particle_track, &
add_particle_track, finalize_particle_track
@ -63,7 +63,7 @@ contains
endif
! Every particle starts with no accumulated flux derivative.
call clear_diff_flux_derivs()
call zero_flux_derivs()
EVENT_LOOP: do
! If the cell hasn't been determined based on the particle's location,