cad_geometry_example

doc/content/verification_validation_examples/cad_geometry_model/cad_model.md

@@ -13,86 +13,110 @@ In this example, you'll learn how to:
   caption=OpenMC and MOOSE Coupling
   style=width:60%;margin-left:auto;margin-right:auto
 
-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 as shown in Figure 1, with coupling between neutron transport and heat conduction achieved via Picard iteration.
+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 transferred heat source and temperature distribution between OpenMC and MOOSE as shown in [transfers], 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 (Figure 2). A corresponding DAGMC surface mesh (Figure 3) was exported directly from the meshed geometry in Cubit (by loading the volumetric meshed geometry in Cubit and exporting a DAGMC surface mesh).
+The CAD model was first developed in FUSION360 and was imported into Cubit to assign blocks, materials, and side sets and generate the mesh ([volumetric_mesh]). A corresponding DAGMC surface mesh ([dagmc]) 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` (Figure 2) is the finite element mesh used in MOOSE on which the heat conduction physics is solved. `tmesh_1.h5m` (Figure 3) 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` (Figure 2) 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`) in Cardinal input under Problem.
+In this example, `tmesh_1.e` ([volumetric_mesh]) is the finite element mesh used in MOOSE on which the heat conduction physics is solved. `tmesh_1.h5m` ([dagmc]) 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` ([volumetric_mesh]) could be used for as well as an unstructured volume mesh. This could be used by changing the tally type and adding a mesh template (`tally_type = mesh`, `mesh_template = tmesh_1.e`) in Cardinal input under Problem.
 
  
 
 !row! style=display:inline-flex;
 !col! small=12 medium=4 large=3
 
-!media figures/mesh_1.png style=width:130%;display:block;
-  id=volumetric_mesh caption=Volumetric mesh
+!media figures/mesh_1.png 
+  style=width:130%;display:block;
+  id=volumetric_mesh 
+  caption=Volumetric mesh
 
 !col-end!
 
 !col! small=12 medium=4 large=3
 
-!media figures/d1.png style=width:130%;display:block;
-  id=dagmc caption=DAGMC mesh
+!media figures/d1.png 
+  style=width:130%;display:block;
+  id=dagmc 
+  caption=DAGMC mesh
 
 !col-end!
 !row-end!
 
 ## OpenMC
 
+The OpenMC input files is as follows:
+
 !listing /test/tests/cad_geometry_example/model.py language=python
 
 ## Cardinal
 
+The Cardinal input files is as follows:
+
 !listing /test/tests/cad_geometry_example/openmc.i
 
-## MOOSE Heat transfer
+## FENIX (MOOSE) Heat transfer
+
+The FENIX input files is as follows:
 
 !listing /test/tests/cad_geometry_example/solid.i
 
 ## Execution
 
-To run the coupled calculation:
+To generate OpenMC xml files, run:
 
 ```
-mpiexec -np 2 cardinal-opt -i solid.i --n-threads=2
+python model.py
 ```
 
-This will run both MOOSE and OpenMC with 2 MPI processes and 2 OpenMP threads per rank. To run the simulation faster, you can increase the parallel processes/threads, or simply decrease the number of particles used in OpenMC. When the simulation has completed, you will have created a number of different output files:
+Then to run the coupled calculation:
+
+```
+mpiexec -np 2 fenix-opt -i solid.i --n-threads=2
+```
 
-- `solid_out.e`, an Exodus output with the solid mesh and solution 
+This will run both MOOSE and OpenMC (with Cardinal) with 2 MPI processes and 2 OpenMP threads per rank. To run the simulation faster, you can increase the parallel processes/threads, or simply decrease the number of particles used in OpenMC. When the simulation has completed, you will have created a number of different output files:
+
+- `solid_out.e`, an Exodus output with the solid mesh and solution from the MOOSE/FENIX input file
 - `solid_out_openmc0.e`, an Exodus output with the OpenMC solution and the data that was ultimately transferred in/out of OpenMC
 
 ## Results
 
  
 
+The results of this simulation are shown in [temps], [h3production], and [results]. More information - including a mesh sensitivity study and results from a finer mesh - is available in [!cite](Eltawila2024PBNC).
+
+ 
+
 !row! style=display:inline-flex;
 !col! small=12 medium=4 large=3
 
-!media figures/Temps.png style=width:130%;display:block;
-  id=temps caption=Temperature distribution
+!media figures/Temps.png 
+  style=width:130%;display:block;
+  id=temps 
+  caption=Temperature distribution
 
 !col-end!
 
 !col! small=12 medium=4 large=3
 
-!media figures/tritium_production.png style=width:130%;display:block;
-  id=h3production caption=Tritium production rate density
+!media figures/tritium_production.png 
+  style=width:130%;display:block;
+  id=h3production 
+  caption=Tritium production rate density
 
 !col-end!
 !row-end!
 
  
 
 !table id=results caption=Results summary
-| Parameter | Value |
+| Parameter (Units) | Value |
 | :- | :- |
 | 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/index.md

@@ -35,5 +35,5 @@ FENIX is under active development and does not currently have any benchmarking c
 
 # List of example cases
 
-[CAD-based geometry workflow example](cad_geometry_model/cad_model.md)
+- [CAD-based geometry workflow example for fusion problems using OpenMC in FENIX](cad_geometry_model/cad_model.md) based on [!cite](Eltawila2024PBNC).
 

test/tests/cad_geometry_example/gold/solid_out.csv

@@ -0,0 +1,4 @@
+time,max_T,source_integral
+0,0,0
+1,800,244158.40396983
+2,1058.7439583588,243141.87849132

test/tests/cad_geometry_example/gold/solid_out_openmc0.csv

@@ -0,0 +1,4 @@
+time,heat_source,heat_source_RelativeError,tritium_RelativeError,tritium_production
+0,0,0,0,0
+1,244158.40396983,0.0039604975020543,0.0030447507289791,47082007910425
+2,243141.87849132,0.39003312775355,0.39353117228504,46825507978724

test/tests/cad_geometry_example/model.py

@@ -36,7 +36,7 @@
 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')
+mat2 = openmc.Material.mix_materials([eurofer, Helium], [0.65, 0.35], 'ao', name="mat2")
 
 beryllium = openmc.Material(name="beryllium")
 beryllium.add_element('Be', 1.0)
@@ -48,7 +48,7 @@
 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')
+mat3 = openmc.Material.mix_materials([eurofer, beryllium, Li4SiO4, Helium], [0.1, 0.37, 0.15, 0.38], 'ao',name="mat3")
 
 mats = openmc.Materials([mat1, eurofer, Helium,  mat2, beryllium, Li4SiO4,  mat3])
 mats.export_to_xml()
@@ -94,7 +94,7 @@
 settings.source = source
 settings.export_to_xml()
 
-dagmc_univ = openmc.DAGMCUniverse(filename='torus7v2t2.h5m')
+dagmc_univ = openmc.DAGMCUniverse(filename='tmesh_1.h5m')
 
 geometry = openmc.Geometry(root=dagmc_univ)
 geometry.export_to_xml()

test/tests/cad_geometry_example/openmc.i

@@ -26,7 +26,7 @@
   lowest_cell_level = 0
   temperature_blocks = '1 2 3'
   check_tally_sum = false
-  source_strength = 1e18   # Particles/sec.
+  source_strength = 1e18 # Particles/s.
   volume_calculation = vol
   tally_score = 'heating_local H3_production'
   tally_trigger = 'rel_err none'
@@ -48,7 +48,7 @@
     type = MoabSkinner
     temperature_min = 800
     temperature_max = 1100
-    n_temperature_bins = 100
+    n_temperature_bins = 10
     temperature = temp
     build_graveyard = true
   []

test/tests/cad_geometry_example/solid.i

@@ -71,6 +71,7 @@
   exodus = true
   print_linear_residuals = false
   perf_graph = true
+  csv = true
 []
 
 [MultiApps]

test/tests/cad_geometry_example/tests

@@ -0,0 +1,18 @@
+[Tests]
+  design = 'cad_model.md'
+  issues = '#30'
+  [solid_diff]
+    type = Exodiff
+    input = 'solid.i'
+    exodiff = solid_out.e
+    requirement = "The system shall be able to solve for the temperature distribution."
+    required_objects = 'OpenMCCellAverageProblem'
+  []
+  [openmc_diff]
+    type = Exodiff
+    input = 'solid.i'
+    exodiff = solid_out_openmc0.e
+    requirement = "The system shall be able to solve for the heat source and tritium production."
+    required_objects = 'OpenMCCellAverageProblem'
+  []
+[]