Merge pull request #469 from jude-moo/benchmark/openmc_FNG-HCPB

Adding FNG-HCPB benchmark for OpenMC

Author: dodu94

docs/source/dev/insertbenchmarks.rst

@@ -56,6 +56,8 @@ OpenMC
   `OpenMC documentation <https://docs.openmc.org/en/stable/usersguide/settings.html#compiled-sources>`_.
 - If the model uses weight windows, a weight windows file in HDF5 format should be provided.
   The file should be named ``weight_windows.h5``. This weight window will be used in simulation if it is provided.
+- If dosimetry calculations are required, the IRDFF-II data library should be used and can be implemented using an ``openmc.EnergyFunctionFilter``
+  which is outlined in this `notebook <https://nbviewer.org/gist/paulromano/842b1df9eb2003747e2fd6d95514129a>`.
 - The tallies IDs should be explicitly fixed when creating the ``tallies.xml`` file. This prevents
   OpenMC from creating them automatically and, thus, potentially changing them between different runs
   of a same benchmark. If possible, the tallies identifiers should be the same as the ones used in the

docs/source/documentation/benchdesc/fng/fng-hcpb.rst

@@ -70,6 +70,19 @@ where :math:`{\lambda}` is the decay constant, :math:`n_{tot}` is the total neut
 mass is for an individual pellet. This normalisation is included in the MCNP input file so the raw output
 can be directly compared to the measured data. 
 
+OpenMC model
+^^^^^^^^^^^^
+To allow for the simulation to run in OpenMC, vacuum boundary conditions were set for all outer surfaces of the geometry. 
+
+OpenMC tallies
+^^^^^^^^^^^^^^
+The reaction rates are calcaulated using a flux tally and an EnergyFunctionFilter, corresponding to the cross-section data for the nuclide being tallied over.  
+To make the results comparable to the experimental data, the raw output from OpenMC must be divided by the volume of the foils.
+
+The tritium production was tallied using the (n,Xt) score in OpenMC. The specific activity is then calculated in the same way as for MCNP, 
+but factors have to be folded in during post-processing. 
+
+
 Patch file
 ^^^^^^^^^^
 Coming soon... 

src/jade/resources/default_cfg/benchmarks_pp/raw/mcnp/FNG-HCPB.yaml

@@ -67,7 +67,7 @@ _cell_id_h3: &depth_h3
   16055: 28.410
   16059: 28.411
   16063: 28.412
-_cell_id_h3: &depth_h3d
+_cell_id_h3d: &depth_h3d
   16016: [9.5, 01]
   16020: [9.5,02]
   16024: [9.5,03]
@@ -127,5 +127,4 @@ Tritium activity:
 
 Tritium activity Pellet:
   concat_option: no_action
-  84: [[add_column_with_dict, {'ref_column': 'Cells', 'values': *depth_h3d, new_columns: [ 'Distance','Pellet']}],[replace, {'column': 'Cells', 'values': *depth_h3}]]
-
+  84: [[add_column_with_dict, {'ref_column': 'Cells', 'values': *depth_h3d, new_columns: [ 'Distance','Pellet']}],[replace, {'column': 'Cells', 'values': *depth_h3}]]

src/jade/resources/default_cfg/benchmarks_pp/raw/openmc/FNG-HCPB.yaml

@@ -0,0 +1,139 @@
+# Define anchors to be used in the file.
+# Use _ prefix to avoid confusing the jade parser.
+_cell_id_foils: &depth_foils
+  48001: 4.10115
+  48002: 10.40115
+  48003: 16.70115
+  48004: 23.00115
+  58001: 4.10115
+  58002: 10.40115
+  58003: 16.70115
+  58004: 23.00115
+  38001: 4.10115
+  38002: 10.40115
+  38003: 16.70115
+  38004: 23.00115
+  28000: 0.0
+  28001: 4.10115
+  28002: 10.40115
+  28003: 16.70115
+  28004: 23.00115
+_cell_id_h3: &depth_h3
+  16016: 9.501
+  16020: 9.502
+  16024: 9.503
+  16028: 9.504
+  16032: 9.505
+  16036: 9.506
+  16040: 9.507
+  16044: 9.508
+  16048: 9.509
+  16052: 9.510
+  16056: 9.511
+  16060: 9.512
+  16017: 15.801
+  16021: 15.802
+  16025: 15.803
+  16029: 15.804
+  16033: 15.805
+  16037: 15.806
+  16041: 15.807
+  16045: 15.808
+  16049: 15.809
+  16053: 15.810
+  16057: 15.811
+  16061: 15.812
+  16018: 22.101
+  16022: 22.102
+  16026: 22.103
+  16030: 22.104
+  16034: 22.105
+  16038: 22.106
+  16042: 22.107
+  16046: 22.108
+  16050: 22.109
+  16054: 22.110
+  16058: 22.111
+  16062: 22.112
+  16019: 28.401
+  16023: 28.402
+  16027: 28.403
+  16031: 28.404
+  16035: 28.405
+  16039: 28.406
+  16043: 28.407
+  16047: 28.408
+  16051: 28.409
+  16055: 28.410
+  16059: 28.411
+  16063: 28.412
+_cell_id_h3d: &depth_h3d
+  16016: [9.5, 01]
+  16020: [9.5,02]
+  16024: [9.5,03]
+  16028: [9.5,04]
+  16032: [9.5,05]
+  16036: [9.5,06]
+  16040: [9.5,07]
+  16044: [9.5,08]
+  16048: [9.5,09]
+  16052: [9.5,10]
+  16056: [9.5,11]
+  16060: [9.5,12]
+  16017: [15.8,01]
+  16021: [15.8,02]
+  16025: [15.8,03]
+  16029: [15.8,04]
+  16033: [15.8,05]
+  16037: [15.8,06]
+  16041: [15.8,07]
+  16045: [15.8,08]
+  16049: [15.8,09]
+  16053: [15.8,10]
+  16057: [15.8,11]
+  16061: [15.8,12]
+  16018: [22.1,01]
+  16022: [22.1,02]
+  16026: [22.1,03]
+  16030: [22.1,04]
+  16034: [22.1,05]
+  16038: [22.1,06]
+  16042: [22.1,07]
+  16046: [22.1,08]
+  16050: [22.1,09]
+  16054: [22.1,10]
+  16058: [22.1,11]
+  16062: [22.1,12]
+  16019: [28.4,01]
+  16023: [28.4,02]
+  16027: [28.4,03]
+  16031: [28.4,04]
+  16035: [28.4,05]
+  16039: [28.4,06]
+  16043: [28.4,07]
+  16047: [28.4,08]
+  16051: [28.4,09]
+  16055: [28.4,10]
+  16059: [28.4,11]
+  16063: [28.4,12]
+# Fluxes
+Reaction rate:
+  concat_option: no_action
+  4:  
+      - [volume, {}]
+      - [replace, {'column': 'Cells', 'values': *depth_foils}]
+
+Tritium activity:
+  concat_option: no_action
+  84: 
+      - [mass, {}]
+      - [scale, {'factor': 2.57042574E+07}]
+      - [replace, {'column': 'Cells', 'values': *depth_h3}]
+
+Tritium activity Pellet:
+  concat_option: no_action
+  84: 
+      - [mass, {}]
+      - [scale, {'factor': 2.57042574E+07}]
+      - [add_column_with_dict, {'ref_column': 'Cells', 'values': *depth_h3d, new_columns: [ 'Distance','Pellet']}]
+      - [replace, {'column': 'Cells', 'values': *depth_h3}]  

src/jade/resources/default_cfg/run_cfg.yml

@@ -239,4 +239,15 @@ IPPE-CF:
   custom_input: 
   nps: 1e8
   description: IPPE 252Cf experiment
+  only_input: false
+#
+FNG_HCPB:
+  codes:
+    d1s: []
+    mcnp: []
+    openmc: []
+    serpent: []
+  custom_input: 
+  nps: 1e8
+  description: FNG Helium Cooled Pebble Bed TBM Experiment
   only_input: false