add neutronics

test/examples/divertor_monoblock/divertor_monoblock_5/geometry.xml

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+<?xml version='1.0' encoding='UTF-8'?>
+<geometry>
+  <cell id="1" material="4" name="Water_Cell" region="-1 -5 8 -9" universe="1"/>
+  <cell id="2" material="3" name="CuCrZr_Cell" region="1 -2 -5 8 -9" universe="1"/>
+  <cell id="3" material="2" name="Cu_Cell" region="2 -3 -5 8 -9" universe="1"/>
+  <cell id="4" material="1" name="W_Cell" region="4 -5 6 -7 3 8 -9" universe="1"/>
+  <cell id="5" material="void" name="Vacuum_Cell" region="~(4 -5 6 -7 3 8 -9) -10" universe="1"/>
+  <surface coeffs="0.0 0.0 0.6000000000000001" id="1" type="z-cylinder"/>
+  <surface coeffs="0.0 0.0 0.75" id="2" type="z-cylinder"/>
+  <surface coeffs="0.0 0.0 0.8500000000000001" id="3" type="z-cylinder"/>
+  <surface coeffs="-1.4000000000000001" id="4" type="x-plane"/>
+  <surface coeffs="0" id="5" type="x-plane"/>
+  <surface coeffs="-1.4000000000000001" id="6" type="y-plane"/>
+  <surface coeffs="1.4000000000000001" id="7" type="y-plane"/>
+  <surface coeffs="0" id="8" type="z-plane"/>
+  <surface coeffs="0.6000000000000001" id="9" type="z-plane"/>
+  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 5.0" id="10" type="sphere"/>
+</geometry>

test/examples/divertor_monoblock/divertor_monoblock_5/materials.xml

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+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material id="1" name="W_monoblock">
+    <density units="g/cc" value="19.3"/>
+    <nuclide ao="0.0012" name="W180"/>
+    <nuclide ao="0.265" name="W182"/>
+    <nuclide ao="0.1431" name="W183"/>
+    <nuclide ao="0.3064" name="W184"/>
+    <nuclide ao="0.2843" name="W186"/>
+  </material>
+  <material id="2" name="Cu_interlayer">
+    <density units="g/cc" value="8.96"/>
+    <nuclide ao="0.6915" name="Cu63"/>
+    <nuclide ao="0.3085" name="Cu65"/>
+  </material>
+  <material id="3" name="CuCrZr_tube">
+    <density units="g/cc" value="8.9"/>
+    <nuclide ao="0.0005214" name="Cr50"/>
+    <nuclide ao="0.01005468" name="Cr52"/>
+    <nuclide ao="0.00114012" name="Cr53"/>
+    <nuclide ao="0.0002838" name="Cr54"/>
+    <nuclide ao="0.0012862499999999999" name="Zr90"/>
+    <nuclide ao="0.0002805" name="Zr91"/>
+    <nuclide ao="0.00042875000000000004" name="Zr92"/>
+    <nuclide ao="0.00043450000000000004" name="Zr94"/>
+    <nuclide ao="7.000000000000001e-05" name="Zr96"/>
+    <nuclide ao="0.68147325" name="Cu63"/>
+    <nuclide ao="0.30402675" name="Cu65"/>
+  </material>
+  <material id="4" name="Water">
+    <density units="g/cc" value="1.0"/>
+    <nuclide ao="1.99968852" name="H1"/>
+    <nuclide ao="0.00031148" name="H2"/>
+    <nuclide ao="0.999621" name="O16"/>
+    <nuclide ao="0.000379" name="O17"/>
+    <sab name="c_H_in_H2O"/>
+  </material>
+</materials>

test/examples/divertor_monoblock/divertor_monoblock_5/neutronics.i

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+### Nomenclatures
+### C_mobile_j      mobile H concentration in "j" material, where j = CuCrZr, Cu, W
+### C_trapped_j     trapped H concentration in "j" material, where j = CuCrZr, Cu, W
+### C_total_j       total H concentration in "j" material, where j = CuCrZr, Cu, W
+###
+### S_empty_j       empty site concentration in "j" material, where j = CuCrZr, Cu, W
+### S_trapped_j     trapped site concentration in "j" material, where j = CuCrZr, Cu, W
+### S_total_j       total site H concentration in "j" material, where j = CuCrZr, Cu, W
+###
+### F_permeation    permeation flux
+### F_recombination recombination flux
+###
+### Sc_             Scaled
+### Int_            Integrated
+### ScInt_          Scaled and integrated
+
+thickness_monoblock = ${units 6e-3 m}
+rings = '1 1 2 12' # '1 30 20 110' # Number of rings in each circle or in the enclosing square of the mesh
+num_layer_mesh_thickness = 1
+
+## Mesh generated by ConcentricCircleMeshGenerator and saved as "2DMonoblock.e"
+[Mesh]
+    [ccmg]
+        type = ConcentricCircleMeshGenerator
+        num_sectors = 12
+        rings = ${rings}
+        radii = '${units 6 mm -> m} ${units 7.5 mm -> m} ${units 8.5 mm -> m}'
+        has_outer_square = on
+        pitch = ${units 28 mm -> m}
+        portion = left_half
+        preserve_volumes = false
+        smoothing_max_it = 3
+    []
+    [ccmg_extrude]
+        type = MeshExtruderGenerator
+        input = ccmg
+        num_layers = ${num_layer_mesh_thickness}
+        extrusion_vector = '0 0 ${thickness_monoblock}'
+        bottom_sideset = 'front'
+        top_sideset = 'back'
+    []
+    [ssbsg1]
+        type = SideSetsBetweenSubdomainsGenerator
+        input = ccmg_extrude
+        primary_block = '4'     # W
+        paired_block = '3'      # Cu
+        new_boundary = '4to3'
+    []
+    [ssbsg2]
+        type = SideSetsBetweenSubdomainsGenerator
+        input = ssbsg1
+        primary_block = '3'     # Cu
+        paired_block = '4'      # W
+        new_boundary = '3to4'
+    []
+    [ssbsg3]
+        type = SideSetsBetweenSubdomainsGenerator
+        input = ssbsg2
+        primary_block = '3'     # Cu
+        paired_block = '2'      # CuCrZr
+        new_boundary = '3to2'
+    []
+    [ssbsg4]
+        type = SideSetsBetweenSubdomainsGenerator
+        input = ssbsg3
+        primary_block = '2'     # CuCrZr
+        paired_block = '3'      # Cu
+        new_boundary = '2to3'
+    []
+    [ssbsg5]
+        type = SideSetsBetweenSubdomainsGenerator
+        input = ssbsg4
+        primary_block = '2'     # CuCrZr
+        paired_block = '1'      # H2O
+        new_boundary = '2to1'
+    []
+    [bdg]
+        type = BlockDeletionGenerator
+        input = ssbsg5
+        block = '1'             # H2O
+    []
+
+[]
+
+[ICs]
+  [temp]
+    type = ConstantIC
+    variable = temp
+    value = 800
+  []
+[]
+
+[Problem]
+    type = OpenMCCellAverageProblem
+    verbose = true
+
+    tally_type = mesh
+    mesh_template = neutronics_in.e
+    scaling = 100.0
+    tally_name = 'heat_source flux'
+    temperature_blocks = '2 3 4'
+
+    tally_score = 'heating_local flux'
+    tally_trigger = 'rel_err none'
+    tally_trigger_threshold = '0.05 1.0'
+
+    cell_level = 0
+    max_batches = 100
+    batch_interval = 10
+    particles = 100000
+    source_strength = 2.3e16 # Particles/s.
+
+    output = unrelaxed_tally_std_dev
+    volume_calculation = vol
+
+    check_tally_sum = false
+  []
+
+  [UserObjects]
+    [vol]
+      type = OpenMCVolumeCalculation
+      n_samples = 50000
+    []
+  []
+
+  [Postprocessors]
+    [heat_source]
+      type = ElementIntegralVariablePostprocessor
+      variable = heat_source
+    []
+    [heat_source_RelativeError]
+      type = TallyRelativeError
+      tally_score = heating_local
+    []
+  []
+
+  [Executioner]
+    type = Transient
+  []
+
+  [Outputs]
+    exodus = true
+    csv = true
+  []

test/examples/divertor_monoblock/divertor_monoblock_5/openmc.py

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+import openmc
+import math
+
+##### Materials #######
+
+W = openmc.Material(name="W_monoblock")
+W.set_density('g/cc', 19.30)
+W.add_element('W', 1.0)
+
+Cu = openmc.Material(name="Cu_interlayer")
+Cu.set_density('g/cc', 8.96)
+Cu.add_element('Cu', 1.0)
+
+CuCrZr = openmc.Material(name="CuCrZr_tube")
+#Ref.: https://aurubis.com/dam/jcr:d6d50d64-69d6-4742-821d-8fb8b48c9044/cucrzr-c18160-pna-372_en.pdf
+CuCrZr.set_density('g/cc', 8.90)
+CuCrZr.add_element('Cr', 0.012)
+CuCrZr.add_element('Zr', 0.0025)
+CuCrZr.add_element('Cu', 0.9855)
+
+H2O = openmc.Material(name="Water")
+H2O.set_density('g/cc', 1.0)
+H2O.add_element('H', 2.0)
+H2O.add_element('O', 1.0)
+H2O.add_s_alpha_beta('c_H_in_H2O')
+
+mats = openmc.Materials([W, Cu, CuCrZr, H2O])
+mats.export_to_xml()
+
+##### Geometry #######
+
+mm_to_cm = 0.1
+water_channel_radius = 6 * mm_to_cm
+CuCrZr_tube_OR = 7.5 * mm_to_cm
+Cu_interlayer_OR = 8.5 * mm_to_cm
+monoblock_side_length = 28.0 * mm_to_cm
+thickness = 6.0 * mm_to_cm
+
+water_channel = openmc.ZCylinder(r=water_channel_radius)
+CuCrZr_OR = openmc.ZCylinder(r=CuCrZr_tube_OR)
+Cu_OR = openmc.ZCylinder(r=Cu_interlayer_OR)
+
+x_ngv = openmc.XPlane(-monoblock_side_length/2)
+x_psv = openmc.XPlane(0)
+y_ngv = openmc.YPlane(-monoblock_side_length/2)
+y_psv = openmc.YPlane(monoblock_side_length/2)
+z_ngv = openmc.ZPlane(0)
+z_psv = openmc.ZPlane(thickness)
+
+out = openmc.Sphere(r=50*mm_to_cm, boundary_type='vacuum')
+
+water_region = -water_channel & -x_psv & +z_ngv & -z_psv
+CuCrZr_region = +water_channel & -CuCrZr_OR & -x_psv & +z_ngv & -z_psv
+Cu_region = +CuCrZr_OR & - Cu_OR & -x_psv & +z_ngv & -z_psv
+W_block_region = +x_ngv & -x_psv & +y_ngv & -y_psv & +Cu_OR & +z_ngv & -z_psv
+vaccum_region = ~W_block_region & -out
+
+water_cell = openmc.Cell(name='Water_Cell')
+water_cell.fill = H2O
+water_cell.region = water_region
+
+CuCrZr_cell = openmc.Cell(name='CuCrZr_Cell')
+CuCrZr_cell.fill = CuCrZr
+CuCrZr_cell.region = CuCrZr_region
+
+Cu_cell = openmc.Cell(name='Cu_Cell')
+Cu_cell.fill = Cu
+Cu_cell.region = Cu_region
+
+W_cell = openmc.Cell(name='W_Cell')
+W_cell.fill = W
+W_cell.region = W_block_region
+
+vacuum_cell = openmc.Cell(name='Vacuum_Cell')
+vacuum_cell.region = vaccum_region
+
+root_universe = openmc.Universe(cells=(water_cell, CuCrZr_cell, Cu_cell, W_cell, vacuum_cell))
+geometry = openmc.Geometry(root_universe)
+geometry.export_to_xml()
+
+##### Plotting #######
+
+px = openmc.Plot()
+px.basis = 'xy'
+px.origin = (0.0, 0.0, thickness/2)
+px.width = (30*mm_to_cm, 30*mm_to_cm)
+px.pixels = (1000, 1000)
+px.color_by = 'material'
+
+pz = openmc.Plot()
+pz.basis = 'xz'
+pz.origin = (0.0, 0.0, thickness/2)
+pz.width = (30*mm_to_cm, thickness)
+pz.pixels = (1000, 1000)
+pz.color_by = 'material'
+
+px2 = openmc.Plot()
+px2.basis = 'xy'
+px2.origin = (0.0, 0.0, thickness/2)
+px2.width = (100*mm_to_cm, 100*mm_to_cm)
+px2.pixels = (2000, 2000)
+px2.color_by = 'cell'
+
+plots = openmc.Plots([px,pz,px2])
+plots.export_to_xml()
+
+##### Settings #######
+
+settings = openmc.Settings()
+settings.batches = 100
+settings.particles = 1000000
+settings.run_mode = "fixed source"
+settings.photon_transport = True
+
+settings.temperature = {'default': 800.0,
+                        'method': 'nearest',
+                        'range': (294.0, 2000.0),
+                        'tolerance': 1000.0}
+
+x = openmc.stats.Uniform(-monoblock_side_length/2, 0)
+y = openmc.stats.Discrete([monoblock_side_length/2+5*mm_to_cm,], [1.0,])
+z = openmc.stats.Uniform(0, thickness)
+spatial_dist = openmc.stats.CartesianIndependent(x, y, z)
+
+source = openmc.IndependentSource()
+source.space = spatial_dist
+source.angle = openmc.stats.Monodirectional([0.0,-1.0,0])
+source.energy = openmc.stats.Discrete([14.08e6], [1.0])
+settings.source = source
+
+settings.export_to_xml()

test/examples/divertor_monoblock/divertor_monoblock_5/plots.xml

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+<?xml version='1.0' encoding='UTF-8'?>
+<plots>
+  <plot basis="xy" color_by="material" id="1" type="slice">
+    <pixels>1000 1000</pixels>
+    <origin>0.0 0.0 0.30000000000000004</origin>
+    <width>3.0 3.0</width>
+  </plot>
+  <plot basis="xz" color_by="material" id="2" type="slice">
+    <pixels>1000 1000</pixels>
+    <origin>0.0 0.0 0.30000000000000004</origin>
+    <width>3.0 0.6000000000000001</width>
+  </plot>
+  <plot basis="xy" color_by="cell" id="3" type="slice">
+    <pixels>2000 2000</pixels>
+    <origin>0.0 0.0 0.30000000000000004</origin>
+    <width>10.0 10.0</width>
+  </plot>
+</plots>

test/examples/divertor_monoblock/divertor_monoblock_5/settings.xml

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+<?xml version='1.0' encoding='UTF-8'?>
+<settings>
+  <run_mode>fixed source</run_mode>
+  <particles>1000000</particles>
+  <batches>100</batches>
+  <source particle="neutron" strength="1.0" type="independent">
+    <space type="cartesian">
+      <x parameters="-1.4000000000000001 0" type="uniform"/>
+      <y type="discrete">
+        <parameters>1.9000000000000001 1.0</parameters>
+      </y>
+      <z parameters="0 0.6000000000000001" type="uniform"/>
+    </space>
+    <angle reference_uvw="0.0 -1.0 0.0" type="monodirectional"/>
+    <energy type="discrete">
+      <parameters>14080000.0 1.0</parameters>
+    </energy>
+  </source>
+  <photon_transport>true</photon_transport>
+  <temperature_default>800.0</temperature_default>
+  <temperature_method>nearest</temperature_method>
+  <temperature_range>294.0 2000.0</temperature_range>
+  <temperature_tolerance>1000.0</temperature_tolerance>
+</settings>