Enable fission heating tallies in the random ray solver

docs/source/usersguide/random_ray.rst

@@ -513,6 +513,7 @@ Supported scores:
     - total
     - fission
     - nu-fission
+    - kappa-fission
     - events
 
 Supported Estimators:

include/openmc/random_ray/flat_source_domain.h

@@ -107,6 +107,7 @@ class FlatSourceDomain {
   vector<double> nu_sigma_f_;
   vector<double> sigma_f_;
   vector<double> chi_;
+  vector<double> kappa_fission_;
 
   // 3D arrays stored in 1D representing values for all materials x energy
   // groups x energy groups

openmc/model/model.py

@@ -1729,12 +1729,14 @@ def _auto_generate_mgxs_lib(
         if correction == 'P0':
             mgxs_lib.mgxs_types = [
                 'nu-transport', 'absorption', 'nu-fission', 'fission',
-                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi',
+                'kappa-fission'
             ]
         elif correction is None:
             mgxs_lib.mgxs_types = [
                 'total', 'absorption', 'nu-fission', 'fission',
-                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi',
+                'kappa-fission'
             ]
 
         # Specify a "material" domain type for the cross section tally filters

src/random_ray/flat_source_domain.cpp

@@ -665,10 +665,15 @@ void FlatSourceDomain::random_ray_tally()
           score = 1.0;
           break;
 
+        case SCORE_KAPPA_FISSION:
+          score = flux * volume * kappa_fission_[material * negroups_ + g] *
+                  density_mult;
+          break;
+
         default:
           fatal_error("Invalid score specified in tallies.xml. Only flux, "
-                      "total, fission, nu-fission, and events are supported in "
-                      "random ray mode.");
+                      "total, fission, nu-fission, kappa-fission, and events "
+                      "are supported in random ray mode.");
           break;
         }
         // Apply score to the appropriate tally bin
@@ -1165,6 +1170,10 @@ void FlatSourceDomain::flatten_xs()
         }
         chi_.push_back(chi);
 
+        double kappa_fission =
+          m.get_xs(MgxsType::KAPPA_FISSION, g_out, NULL, NULL, NULL, t, a);
+        kappa_fission_.push_back(kappa_fission);
+
         for (int g_in = 0; g_in < negroups_; g_in++) {
           double sigma_s =
             m.get_xs(MgxsType::NU_SCATTER, g_in, &g_out, NULL, NULL, t, a);
@@ -1180,6 +1189,7 @@ void FlatSourceDomain::flatten_xs()
         nu_sigma_f_.push_back(0);
         sigma_f_.push_back(0);
         chi_.push_back(0);
+        kappa_fission_.push_back(0);
         for (int g_in = 0; g_in < negroups_; g_in++) {
           sigma_s_.push_back(0);
         }

src/random_ray/random_ray_simulation.cpp

@@ -83,11 +83,12 @@ void validate_random_ray_inputs()
       case SCORE_FISSION:
       case SCORE_NU_FISSION:
       case SCORE_EVENTS:
+      case SCORE_KAPPA_FISSION:
         break;
       default:
         fatal_error(
-          "Invalid score specified. Only flux, total, fission, nu-fission, and "
-          "event scores are supported in random ray mode.");
+          "Invalid score specified. Only flux, total, fission, nu-fission, "
+          "kappa-fission, and event scores are supported in random ray mode.");
       }
     }
 

tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat

@@ -0,0 +1,73 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="61" type="material">
+      <bins>1</bins>
+    </filter>
+    <tally id="193" name="KF Tally">
+      <filters>61</filters>
+      <scores>kappa-fission</scores>
+    </tally>
+  </tallies>
+</model>

tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/results_true.dat

@@ -0,0 +1,5 @@
+k-combined:
+7.479770E-01 1.624548E-02
+tally 1:
+2.965503E+08
+1.762157E+16

tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat

@@ -0,0 +1,73 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="97" type="material">
+      <bins>1</bins>
+    </filter>
+    <tally id="203" name="KF Tally">
+      <filters>97</filters>
+      <scores>kappa-fission</scores>
+    </tally>
+  </tallies>
+</model>

tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/results_true.dat

@@ -0,0 +1,5 @@
+k-combined:
+7.372542E-01 6.967831E-03
+tally 1:
+2.909255E+08
+1.693395E+16

tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat

@@ -0,0 +1,73 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="97" type="material">
+      <bins>1</bins>
+    </filter>
+    <tally id="203" name="KF Tally">
+      <filters>97</filters>
+      <scores>kappa-fission</scores>
+    </tally>
+  </tallies>
+</model>

tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/results_true.dat

@@ -0,0 +1,5 @@
+k-combined:
+6.413334E-01 2.083132E-02
+tally 1:
+2.541463E+08
+1.297259E+16

tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py

@@ -0,0 +1,60 @@
+import os
+
+import openmc
+from openmc.examples import pwr_pin_cell
+from openmc import RegularMesh
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("method", ["material_wise", "stochastic_slab", "infinite_medium"])
+def test_random_ray_auto_convert(method):
+    with change_directory(method):
+        openmc.reset_auto_ids()
+
+        # Start with a normal continuous energy model
+        model = pwr_pin_cell()
+
+        # Convert to a multi-group model
+        model.convert_to_multigroup(
+            method=method, groups='CASMO-2', nparticles=100,
+            overwrite_mgxs_library=False, mgxs_path="mgxs.h5"
+        )
+
+        # Convert to a random ray model
+        model.convert_to_random_ray()
+
+        # Set the number of particles
+        model.settings.particles = 100
+
+        # Overlay a basic 2x2 mesh
+        n = 2
+        mesh = RegularMesh()
+        mesh.dimension = (n, n)
+        bbox = model.geometry.bounding_box
+        mesh.lower_left = (bbox.lower_left[0], bbox.lower_left[1])
+        mesh.upper_right = (bbox.upper_right[0], bbox.upper_right[1])
+        model.settings.random_ray['source_region_meshes'] = [
+            (mesh, [model.geometry.root_universe])]
+
+        # Set the source shape to linear
+        model.settings.random_ray['source_shape'] = 'linear'
+
+        # Set a material tally
+        t = openmc.Tally(name = 'KF Tally')
+        t.filters = [openmc.MaterialFilter(bins=1)]
+        t.scores = ['kappa-fission']
+        model.tallies.append(t)
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()