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Merged
dodu94 merged 5 commits into from
Dec 19, 2025
Merged

Adding OpenMC version of FNG-SS benchmark #475

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d92fdea
file changes required in order to run the FNG-SS benchmark
jude-moo Nov 27, 2025
33d65ad
Changing the documentation associated with FNG-SS benchmark.
jude-moo Dec 1, 2025
f3037b6
Merge remote-tracking branch 'upstream/developing' into benchmark/ope…
jude-moo Dec 15, 2025
8500888
Adding unit test for checking raw files are being successfully produced
jude-moo Dec 15, 2025
a0af557
Removing FNG-SS from run config
jude-moo Dec 18, 2025
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12 changes: 12 additions & 0 deletions docs/source/documentation/benchdesc/fng/fng-ss.rst
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Expand Up @@ -56,6 +56,18 @@ Reaction rates for each of the different foils in the experiment have been calcu
The raw output from MCNP can be compared directly the reported measured data available in SINBAD which is given
in units of 10\ :sup:`24`/(source neutron).

OpenMC model
^^^^^^^^^^^^
To prevent OpenMC from returning an error, vacuum boundary conditions were set for
the outermost surfaces of the facility housing. The geometry definition of the water funnel (cells 10, 11, 12 and 15) had to be altered
due to limitations with OpenMC. Only double-sided cones can be defined in OpenMC, therefore each cone definition has to be coupled with a plane
in order to split the cone at its apex.

OpenMC tallies
^^^^^^^^^^^^^^
The reaction rates are calculated using a flux tally, paired with an openmc.EnergyFunctionFilter for the nuclide in question.
The raw output from OpenMC must be divided by the foil volumes in order to give fair comparison to the reported measured data.

Patch file
^^^^^^^^^^
Coming soon...
Expand Down
14 changes: 14 additions & 0 deletions src/jade/resources/default_cfg/benchmarks_pp/raw/openmc/FNG-SS.yaml
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@@ -0,0 +1,14 @@
_cell_id_foils: &depth_foils
500: 5
501: 10
502: 20
503: 30
504: 40
505: 50
506: 60
# Fluxes
Reaction rate:
concat_option: no_action
4:
- [volume, {}]
- [replace, {'column': 'Cells', 'values': *depth_foils}]
2 changes: 1 addition & 1 deletion src/jade/resources/default_cfg/run_cfg.yml
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Expand Up @@ -247,7 +247,7 @@ FNG_HCPB:
mcnp: []
openmc: []
serpent: []
custom_input:
custom_input:
nps: 1e8
description: FNG Helium Cooled Pebble Bed TBM Experiment
only_input: false
145 changes: 145 additions & 0 deletions tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/geometry.xml
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@@ -0,0 +1,145 @@
<?xml version='1.0' encoding='UTF-8'?>
<geometry>
<cell id="1" material="3" region="6 (1 | 7) -2 -8" universe="1"/>
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</geometry>
138 changes: 138 additions & 0 deletions tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/materials.xml
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@@ -0,0 +1,138 @@
<?xml version='1.0' encoding='utf-8'?>
<materials>
<material id="1">
<density units="g/cm3" value="7.954"/>
<nuclide name="B10" wo="0.00028"/>
<nuclide name="B11" wo="0.00287"/>
<nuclide name="C12" wo="0.039520273803427465"/>
<nuclide name="C13" wo="0.000479726196572539"/>
<nuclide name="Si28" wo="0.3767"/>
<nuclide name="Si29" wo="0.0198"/>
<nuclide name="Si30" wo="0.0135"/>
<nuclide name="V50" wo="0.0003921925373160739"/>
<nuclide name="V51" wo="0.15960780746268394"/>
<nuclide name="Cr50" wo="0.7012"/>
<nuclide name="Cr52" wo="14.0615"/>
<nuclide name="Cr53" wo="1.6252"/>
<nuclide name="Cr54" wo="0.4122"/>
<nuclide name="Mn55" wo="1.14"/>
<nuclide name="Fe54" wo="3.8447"/>
<nuclide name="Fe56" wo="62.5851"/>
<nuclide name="Fe57" wo="1.4712"/>
<nuclide name="Fe58" wo="0.1992"/>
<nuclide name="Co59" wo="0.14"/>
<nuclide name="Ni58" wo="7.1901"/>
<nuclide name="Ni60" wo="2.865"/>
<nuclide name="Ni61" wo="0.1266"/>
<nuclide name="Ni62" wo="0.4103"/>
<nuclide name="Ni64" wo="0.1079"/>
<nuclide name="Cu63" wo="0.0617"/>
<nuclide name="Cu65" wo="0.0284"/>
<nuclide name="Mo92" wo="0.3015"/>
<nuclide name="Mo94" wo="0.1919"/>
<nuclide name="Mo95" wo="0.3339"/>
<nuclide name="Mo96" wo="0.3534"/>
<nuclide name="Mo97" wo="0.2046"/>
<nuclide name="Mo98" wo="0.5219"/>
<nuclide name="Mo100" wo="0.2126"/>
</material>
<material id="2">
<density units="g/cm3" value="1.0"/>
<nuclide ao="2.0" name="H1"/>
<nuclide ao="1.0" name="O16"/>
</material>
<material id="3">
<density units="g/cm3" value="8.94"/>
<nuclide name="Cu63" wo="0.685"/>
<nuclide name="Cu65" wo="0.315"/>
</material>
<material id="4">
<density units="atom/b-cm" value="4.614e-05"/>
<nuclide ao="0.788903" name="N14"/>
<nuclide ao="0.211097" name="O16"/>
</material>
<material id="5">
<density units="g/cm3" value="2.7"/>
<nuclide ao="1.0" name="Al27"/>
</material>
<material id="6">
<density units="g/cm3" value="2.6"/>
<nuclide name="H1" wo="0.005358"/>
<nuclide name="O16" wo="0.474193"/>
<nuclide name="Na23" wo="0.016312"/>
<nuclide name="Al27" wo="0.043491"/>
<nuclide name="Si28" wo="0.2753"/>
</material>
<material id="7">
<density units="g/cm3" value="8.4"/>
<nuclide ao="0.029" name="Fe54"/>
<nuclide ao="0.4586" name="Fe56"/>
<nuclide ao="0.011" name="Fe57"/>
<nuclide ao="0.0014" name="Fe58"/>
<nuclide ao="0.34585" name="Cu63"/>
</material>
<material id="8">
<density units="g/cm3" value="2.7"/>
<nuclide ao="1.0" name="Al27"/>
</material>
<material id="9">
<density units="g/cm3" value="0.07954"/>
<nuclide name="B10" wo="0.00028"/>
<nuclide name="B11" wo="0.00287"/>
<nuclide name="C12" wo="0.039520273803427465"/>
<nuclide name="C13" wo="0.000479726196572539"/>
<nuclide name="Si28" wo="0.3767"/>
<nuclide name="Si29" wo="0.0198"/>
<nuclide name="Si30" wo="0.0135"/>
<nuclide name="V50" wo="0.0003921925373160739"/>
<nuclide name="V51" wo="0.15960780746268394"/>
<nuclide name="Cr50" wo="0.7012"/>
<nuclide name="Cr52" wo="14.0615"/>
<nuclide name="Cr53" wo="1.6252"/>
<nuclide name="Cr54" wo="0.4122"/>
<nuclide name="Mn55" wo="1.14"/>
<nuclide name="Fe54" wo="3.8447"/>
<nuclide name="Fe56" wo="62.5851"/>
<nuclide name="Fe57" wo="1.4712"/>
<nuclide name="Fe58" wo="0.1992"/>
<nuclide name="Co59" wo="0.14"/>
<nuclide name="Ni58" wo="7.1901"/>
<nuclide name="Ni60" wo="2.865"/>
<nuclide name="Ni61" wo="0.1266"/>
<nuclide name="Ni62" wo="0.4103"/>
<nuclide name="Ni64" wo="0.1079"/>
<nuclide name="Cu63" wo="0.0617"/>
<nuclide name="Cu65" wo="0.0284"/>
<nuclide name="Mo92" wo="0.3015"/>
<nuclide name="Mo94" wo="0.1919"/>
<nuclide name="Mo95" wo="0.3339"/>
<nuclide name="Mo96" wo="0.3534"/>
<nuclide name="Mo97" wo="0.2046"/>
<nuclide name="Mo98" wo="0.5219"/>
<nuclide name="Mo100" wo="0.2126"/>
</material>
<material id="10">
<density units="g/cm3" value="0.73"/>
<nuclide ao="1.0" name="Al27"/>
</material>
<material id="11">
<density units="g/cm3" value="0.52"/>
<nuclide ao="1.0" name="Al27"/>
</material>
<material id="12">
<density units="g/cm3" value="2.7"/>
<nuclide ao="1.0" name="Fe56"/>
</material>
<material id="13">
<density units="g/cm3" value="2.7"/>
<nuclide ao="1.0" name="Fe56"/>
</material>
<material id="14">
<density units="g/cm3" value="2.7"/>
<nuclide ao="1.0" name="Fe56"/>
</material>
<material id="15">
<density units="g/cm3" value="2.7"/>
<nuclide ao="1.0" name="Fe56"/>
</material>
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⚠️ Potential issue | 🟡 Minor

🧩 Analysis chain

🏁 Script executed:

#!/bin/bash
# Check usage of materials 12-15 in geometry.xml
echo "=== Checking material references in geometry.xml ==="
for mat_id in 12 13 14 15; do
  echo "Material $mat_id references:"
  rg -n "material=\"$mat_id\"" "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/geometry.xml" || echo "  (no matches found)"
done

Repository: JADE-V-V/JADE

Length of output: 289

🏁 Script executed:

#!/bin/bash
# Verify geometry.xml exists and check its structure
echo "=== Checking if geometry.xml exists ==="
ls -lh "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/geometry.xml" 2>/dev/null || echo "File not found"

echo -e "\n=== Checking how materials are referenced in geometry.xml ==="
head -100 "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/geometry.xml" | grep -i material | head -10

echo -e "\n=== Checking if materials 12-15 are referenced anywhere in the directory ==="
for mat_id in 12 13 14 15; do
  count=$(rg -c "material[\"']?[=:]?\s*[\"']?$mat_id[\"']?" "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/" 2>/dev/null | wc -l)
  echo "Material $mat_id appears in: $count files"
  rg "material[\"']?[=:]?\s*[\"']?$mat_id[\"']?" "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/" -l 2>/dev/null
done

Repository: JADE-V-V/JADE

Length of output: 1164

🏁 Script executed:

#!/bin/bash
# Verify materials 12-15 in materials.xml
echo "=== Materials 12-15 in materials.xml (lines 122-137) ==="
sed -n '122,137p' "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/materials.xml"

echo -e "\n=== Total material definitions in file ==="
grep -c '<material id=' "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/materials.xml"

echo -e "\n=== All material IDs ==="
rg '<material id="(\d+)"' -o -r '$1' "tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/materials.xml" | sort -n

Repository: JADE-V-V/JADE

Length of output: 670

Remove unused material definitions.

Materials 12–15 are defined identically (density 2.7 g/cm³, Fe56 composition) but are never referenced in geometry.xml or elsewhere in the simulation. These are orphaned definitions that should be deleted to keep the materials file clean.

🤖 Prompt for AI Agents 
In tests/dummy_structure/simulations/_openmc_-_FENDL
3.2b_/FNG-SS/FNG-SS_Al/materials.xml around lines 122–137 there are four
identical, unused material blocks (id="12"–"15") that should be removed; delete
the entire <material>...</material> entries for ids 12–15 from the file and then
run a quick search/validation against geometry.xml and the rest of the
simulation to confirm no references remain.

</materials>
7 changes: 7 additions & 0 deletions tests/dummy_structure/simulations/_openmc_-_FENDL 3.2b_/FNG-SS/FNG-SS_Al/metadata.json
View file
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Original file line number Diff line number Diff line change
@@ -0,0 +1,7 @@
{
"benchmark_name": "FNG-SS",
"benchmark_version": "1.0",
"jade_run_version": "0.1.dev1525+g821619113.d20251113",
"library": "FENDL 3.2b",
"code": "openmc"
}
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