cad_geometry_example

doc/content/verification_validation_examples/cad_geometry_model/cad_model.md

@@ -0,0 +1,64 @@
+# CAD-based Geometry Workflow for Multiphysics Fusion Problems Using OpenMC and MOOSE
+
+This demonstration describes a workflow for modeling fusion problems in OpenMC and MOOSE using a computer aided design (CAD)-based geometry workflow.
+It is based on the work published in [!cite](Eltawila2004_PNBC). 
+
+!media figures/transfers.png
+  id=transfers
+  caption=OpenMC and MOOSE Coupling
+  style=width:60%;margin-left:auto;margin-right:auto
+
+In this example, you'll learn how to:
+
+- Couple OpenMC and MOOSE using Cardinal for fixed source Monte Carlo calculations.
+- Use Cardinal to tally values of interest such as tritium production and heating which would be used in MOOSE to solve for the temperature distribution
+
+An extremely simplified tokamak was modeled in CAD and was considered for this example. The meshed geometry was prepared using direct accelerated geometry Monte Carlo (DAGMC) for particle transport, and a volumetric mesh was also prepared to be used in MOOSE’s finite element solver and to tally OpenMC results for heat source distribution and tritium production. Cardinal was used to run OpenMC Monte Carlo particle transport within MOOSE framework. The data transfer system transfered heat source and temperature distribution between OpenMC and MOOSE, with coupling between neutron transport and heat conduction achieved via Picard iteration.
+
+## Generating the meshes
+
+The CAD model was first developed in FUSION360 and was imported into Cubit to assign blocks, materials, and side sets and generate the mesh (tmesh_1.e). A corresponding DAGMC surface mesh (tmesh_1.h5m) was exported directly from the meshed geometry in Cubit (by loading the volumetric meshed geometry in Cubit and exporting a DAGMC surface mesh).
+
+In this example, `tmesh_1.e` is the finite element mesh used in MOOSE on which the heat conduction physics is solved. `tmesh_1.h5m` is the DAGMC surface mesh used for particle transport in OpenMC (which bounds the surfaces between different materials). Cardinal also allows for mesh tallying for tallying OpenMC results directly on the mesh overlayed on the OpenMC geometry  which `tmesh_1.e` could be used for as well as an unstructered volume mesh. This could be used by changing the tally type and adding a mesh template (`tally_type = mesh`, `mesh_template = tmesh_1.e`).
+
+!media figures/mesh_1.png
+  id=volumetric_mesh
+  caption=Volumetric mesh [!citep](Eltawila2004_PNBC).
+  style=width:60%;margin-left:auto;margin-right:auto
+
+!media figures/d1.png
+  id=dagmc
+  caption=DAGMC surface mesh [!citep](Eltawila2004_PNBC).
+  style=width:60%;margin-left:auto;margin-right:auto
+
+## OpenMC
+
+!listing /input_files/model.py language=python
+
+## Cardinal
+
+!listing /input_files/openmc.i
+
+## MOOSE Heat transfer
+
+!listing /input_files/solid.i
+
+## Results
+
+!media figures/Temps.png
+  id=temps
+  caption=Temperature distribution [!citep](Eltawila2004_PNBC).
+  style=width:60%;margin-left:auto;margin-right:auto
+
+!media figures/tritium_production.png
+  id=h3production
+  caption=Tritium production rate density [!citep](Eltawila2004_PNBC).
+  style=width:60%;margin-left:auto;margin-right:auto
+
+!table id=results caption=Results summary
+| Armor Max. Temp. [K]| 1062.4 |
+| First Wall Max. Temp. [K]| 1057.6 |
+| Breeder Max. Temp. [K]| 987.4 |
+| Heat Source [W] | 2.44 × 10^5 ± 3 × 10^3 |
+| Tritium Production [atoms/s] | 4.70 × 10^13 ± 8 × 10^11 |
+

doc/content/verification_validation_examples/cad_geometry_model/input_files/model.py

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+import openmc
+import math
+
+mat1 = openmc.Material(name="mat1")
+mat1.set_density('g/cc', 19.30)
+mat1.add_element('W', 1.0)
+
+eurofer = openmc.Material(name="eurofer")
+eurofer.add_element('Fe', 0.011   , 'wo')
+eurofer.add_element('Al', 0.002   , 'wo')
+eurofer.add_element('As', 0.0002  , 'wo')
+eurofer.add_element('B', 0.0012  , 'wo')
+eurofer.add_element('C', 0.0005  , 'wo')
+eurofer.add_element('Co', 0.0005  , 'wo')
+eurofer.add_element('Cr', 0.0005  , 'wo')
+eurofer.add_element('Cu', 0.00005 , 'wo')
+eurofer.add_element('Mn', 0.00005 , 'wo')
+eurofer.add_element('Mo', 0.0001  , 'wo')
+eurofer.add_element('N', 0.0001  , 'wo')
+eurofer.add_element('Nb', 0.00005 , 'wo')
+eurofer.add_element('Ni', 0.0003  , 'wo')
+eurofer.add_element('O', 0.00005 , 'wo')
+eurofer.add_element('P', 0.004   , 'wo')
+eurofer.add_element('S', 0.0001  , 'wo')
+eurofer.add_element('Sb', 0.09    , 'wo')
+eurofer.add_element('Sn', 0.0001  , 'wo')
+eurofer.add_element('Si', 0.0011  , 'wo')
+eurofer.add_element('Ta', 0.00002 , 'wo')
+eurofer.add_element('Ti', 0.0005  , 'wo')
+eurofer.add_element('V', 0       , 'wo')
+eurofer.add_element('W', 0.0001  , 'wo')
+eurofer.add_element('Zr', 0.88698 , 'wo')
+eurofer.set_density("g/cm3", 7.798)
+
+Helium = openmc.Material(name="Helium")
+Helium.add_element('He', 1.0)
+Helium.set_density("kg/m3", 0.166)
+
+mat2 = openmc.Material.mix_materials([eurofer, Helium], [0.65, 0.35], 'ao')
+
+beryllium = openmc.Material(name="beryllium")
+beryllium.add_element('Be', 1.0)
+beryllium.set_density("g/cm3", 1.85)
+
+Li4SiO4 = openmc.Material(name="Li4SiO4")
+Li4SiO4.add_element('Li', 4.0)
+Li4SiO4.add_element('Si', 1.0)
+Li4SiO4.add_element('O', 4.0)
+Li4SiO4.set_density("g/cm3", 2.39)
+
+mat3 = openmc.Material.mix_materials([eurofer, beryllium, Li4SiO4, Helium], [0.1, 0.37, 0.15, 0.38], 'ao')
+
+mats = openmc.Materials([mat1, eurofer, Helium,  mat2, beryllium, Li4SiO4,  mat3])
+mats.export_to_xml()
+
+pz = openmc.Plot()
+pz.basis = 'yz'
+pz.origin = (0.0, 0.0, 0.0)
+pz.width = (200.0, 200.0)
+pz.pixels = (500, 500)
+pz.color_by = 'material'
+
+px = openmc.Plot()
+px.basis = 'xy'
+px.origin = (0.0, 0.0, 0.0)
+px.width = (200, 200)
+px.pixels = (500, 500)
+px.color_by = 'material'
+
+plots = openmc.Plots([pz,px])
+plots.export_to_xml()
+
+settings = openmc.Settings()
+settings.dagmc = True
+settings.batches = 100
+settings.particles = 10000000
+settings.run_mode = "fixed source"
+
+settings.temperature = {'default': 800.0,
+                        'method': 'interpolation',
+                        'range': (294.0, 3000.0),
+                        'tolerance': 1000.0}
+
+source = openmc.Source()
+
+r = openmc.stats.PowerLaw(55, 65, 1.0)
+phi = openmc.stats.Uniform(0.0, 2*math.pi)
+z = openmc.stats.Discrete([0,], [1.0,])
+spatial_dist = openmc.stats.CylindricalIndependent(r, phi, z)
+
+source.angle = openmc.stats.Isotropic()
+source.energy = openmc.stats.Discrete([14.08e6], [1.0])
+source.space=spatial_dist
+settings.source = source
+settings.export_to_xml()
+
+dagmc_univ = openmc.DAGMCUniverse(filename='torus7v2t2.h5m')
+
+geometry = openmc.Geometry(root=dagmc_univ)
+geometry.export_to_xml()

doc/content/verification_validation_examples/cad_geometry_model/input_files/openmc.i

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+[Mesh]
+  [file]
+    type = FileMeshGenerator
+    file = tmesh_1.e
+  []
+[]
+
+[AuxVariables]
+  [cell_temperature]
+    family = MONOMIAL
+    order = CONSTANT
+  []
+[]
+
+[AuxKernels]
+  [cell_temperature]
+    type = CellTemperatureAux
+    variable = cell_temperature
+  []
+[]
+
+[Problem]
+  type = OpenMCCellAverageProblem
+  tally_type = cell
+  tally_name = 'heat_source H3'
+  lowest_cell_level = 0
+  temperature_blocks = '1 2 3'
+  check_tally_sum = false
+  source_strength = 1e18
+  volume_calculation = vol
+  tally_score = 'heating_local H3_production'
+  tally_trigger = 'rel_err none'
+  tally_trigger_threshold = '0.1 0.1'
+  verbose = true
+  max_batches = 10
+  batch_interval = 5
+  particles = 5000
+  output = unrelaxed_tally_std_dev
+  skinner = moab
+[]
+
+[UserObjects]
+  [vol]
+    type = OpenMCVolumeCalculation
+    n_samples = 5000
+  []
+  [moab]
+    type = MoabSkinner
+    temperature_min = 800
+    temperature_max = 1100
+    n_temperature_bins = 100
+    temperature = temp
+    build_graveyard = true
+  []
+[]
+
+[Postprocessors]
+  [heat_source]
+    type = ElementIntegralVariablePostprocessor
+    variable = heat_source
+  []
+  [tritium_production]
+    type = ElementIntegralVariablePostprocessor
+    variable = H3
+  []
+  [tritium_RelativeError]
+    type = TallyRelativeError
+    tally_score = h3_production
+  []
+  [heat_source_RelativeError]
+    type = TallyRelativeError
+    tally_score = heating_local
+  []
+[]
+
+[Executioner]
+  type = Transient
+[]
+
+[Outputs]
+  exodus = true
+  csv = true
+[]

doc/content/verification_validation_examples/cad_geometry_model/input_files/solid.i

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+[Mesh]
+  [file]
+    type = FileMeshGenerator
+    file = tmesh_1.e
+  []
+[]
+
+[Variables]
+  [temp]
+    initial_condition = 800.0
+  []
+[]
+
+[AuxVariables]
+  [heat_source]
+    family = MONOMIAL
+    order = CONSTANT
+  []
+[]
+
+[Kernels]
+  [hc]
+    type = HeatConduction
+    variable = temp
+  []
+  [heat]
+    type = CoupledForce
+    variable = temp
+    v = heat_source
+  []
+[]
+
+[BCs]
+  [surface]
+    type = DirichletBC
+    variable = temp
+    boundary = 1
+    value = 800.0
+  []
+[]
+
+[Materials]
+  [k_1]
+    type = GenericConstantMaterial
+    prop_values = '1.64'
+    prop_names = 'thermal_conductivity'
+    block = 'Armour'
+  []
+  [k_2]
+    type = GenericConstantMaterial
+    prop_values = '0.45'
+    prop_names = 'thermal_conductivity'
+    block = 'FW'
+  []
+  [k_3]
+    type = GenericConstantMaterial
+    prop_values = '0.65'
+    prop_names = 'thermal_conductivity'
+    block = 'BM'
+  []
+[]
+
+[Executioner]
+  type = Transient
+  nl_abs_tol = 1e-8
+  num_steps = 2
+  solve_type = 'NEWTON'
+[]
+
+[Outputs]
+  exodus = true
+  print_linear_residuals = false
+  perf_graph = true
+[]
+
+[MultiApps]
+  [openmc]
+    type = TransientMultiApp
+    app_type = CardinalApp
+    input_files = 'openmc.i'
+    execute_on = timestep_end
+  []
+[]
+
+[Transfers]
+  [heat_source_from_openmc]
+    type = MultiAppGeneralFieldShapeEvaluationTransfer
+    from_multi_app = openmc
+    variable = heat_source
+    source_variable = heat_source
+    from_postprocessors_to_be_preserved = heat_source
+    to_postprocessors_to_be_preserved = source_integral
+  []
+  [temp_to_openmc]
+    type = MultiAppGeneralFieldShapeEvaluationTransfer
+    to_multi_app = openmc
+    variable = temp
+    source_variable = temp
+  []
+[]
+
+[Postprocessors]
+  [source_integral]
+    type = ElementIntegralVariablePostprocessor
+    variable = heat_source
+    execute_on = transfer
+  []
+  [max_T]
+    type = NodalExtremeValue
+    variable = temp
+  []
+[]

doc/content/verification_validation_examples/index.md

@@ -35,6 +35,11 @@ FENIX is under active development and does not currently have any benchmarking c
 
 # List of example cases
 
-!alert construction title=Under development - no example cases are available yet
-FENIX is under active development and does not currently have any example cases available to users.
+!col! small=12 medium=4 large=4 icon=assessment
+## [CAD-based geometry workflow example](cad_geometry_model/cad_model.md) class=center style=font-weight:200;font-size:150%;
+
+!style halign=center
+CAD-based geometry workflow example for Fusion problems using OpenMC and MOOSE.
+!col-end!
+!row-end!