Merge pull request #754 from ukaea/develop_combine_neutronics

refractoring neutronics (again)

Author: shimwell

.circleci/config.yml

@@ -18,12 +18,12 @@ jobs:
       - run:
           name: run neutronics_utils tests
           command: 
-            pytest tests/test_neutronics_utils.py -v --cov=paramak --cov-report term --cov-report xml --junitxml=test-reports/junit.xml
+            pytest tests/test_neutronics_utils.py -v --cov=paramak --cov-append --cov-report term --cov-report xml --junitxml=test-reports/junit.xml
 
       - run:
           name: run neutronics_example tests
           command: 
-            pytest tests/test_example_neutronics_simulations.py -v --cov=paramak --cov-report term --cov-report xml --junitxml=test-reports/junit.xml
+            pytest tests/test_example_neutronics_simulations.py -v --cov=paramak --cov-append --cov-report term --cov-report xml --junitxml=test-reports/junit.xml
 
       - run:
           name: run utils tests

Dockerfile

@@ -91,7 +91,7 @@ RUN if [ "$include_neutronics" = "true" ] ; \
 
 # Clone and install Embree
 RUN if [ "$include_neutronics" = "true" ] ; \
-    then git clone --single-branch --branch master https://github.com/embree/embree.git ; \
+    then git clone --single-branch --branch v3.12.2 --depth 1 https://github.com/embree/embree.git ; \
     cd embree ; \
     mkdir build ; \
     cd build ; \
@@ -107,7 +107,7 @@ RUN if [ "$include_neutronics" = "true" ] ; \
     mkdir MOAB ; \
     cd MOAB ; \
     mkdir build ; \
-    git clone  --single-branch --branch develop https://bitbucket.org/fathomteam/moab.git ; \
+    git clone  --single-branch --branch 5.2.1 --depth 1 https://bitbucket.org/fathomteam/moab.git ; \
     cd build ; \
     cmake ../moab -DENABLE_HDF5=ON \
                   -DENABLE_NETCDF=ON \
@@ -148,7 +148,7 @@ RUN if [ "$include_neutronics" = "true" ] ; \
 RUN if [ "$include_neutronics" = "true" ] ; \
     then mkdir DAGMC ; \
     cd DAGMC ; \
-    git clone --single-branch --branch develop https://github.com/svalinn/DAGMC.git ; \
+    git clone --single-branch --branch 3.2.0 --depth 1 https://github.com/svalinn/DAGMC.git ; \
     mkdir build ; \
     cd build ; \
     cmake ../DAGMC -DBUILD_TALLY=ON \

LICENSE.txt

@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) 2020 UKAEA
+Copyright (c) 2020-2021 UKAEA and Paramak contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

docs/source/paramak.parametric_neutronics.rst

@@ -10,7 +10,11 @@ with a suite of neutronics codes (MCNP, Fluka, Geant4, OpenMC).
 The automated simulations supported within the paramak are via OpenMC however
 one could also carry out simulations in other neutronics codes using the
 dagmc.h5m file created. Moab can be used to inspect the dagmc.h5 file and file
-the material tag names. mbsize -ll dagmc.h5m | grep 'mat:'
+the material tag names.
+
+.. code-block:: bash
+
+   mbsize -ll dagmc.h5m | grep 'mat:'
 
 The creation of the dagmc.h5m file can be carried out via three routes.
 

examples/example_neutronics_simulations/ball_reactor.py

@@ -66,7 +66,7 @@ def make_model_and_simulate():
     )
 
     # starts the neutronics simulation
-    neutronics_model.simulate(method='trelis')
+    neutronics_model.simulate()
 
     # prints the results to screen
     print('TBR', neutronics_model.results['TBR'])

examples/example_neutronics_simulations/ball_reactor_minimal.py

@@ -48,10 +48,11 @@ def make_model_and_simulate():
         cell_tallies=['TBR', 'heating'],
         simulation_batches=5,
         simulation_particles_per_batch=1e4,
+        method='trelis'
     )
 
     # simulate the neutronics model
-    neutronics_model.simulate(method='trelis')
+    neutronics_model.simulate()
     print(neutronics_model.results)
 
 

examples/example_neutronics_simulations/center_column_study_reactor.py

@@ -59,10 +59,11 @@ def make_model_and_simulate():
             cell_tallies=['heating'],
             simulation_batches=5,
             simulation_particles_per_batch=1e4,
+            method='trelis',
         )
 
         # starts the neutronics simulation
-        neutronics_model.simulate(method='trelis')
+        neutronics_model.simulate()
 
         # converts the results to mega watts
         total_heat_in_MW = neutronics_model.results['firstwall_mat_heating']['Watts']['result'] / 1e6

examples/example_neutronics_simulations/center_column_study_reactor_minimal.py

@@ -47,10 +47,11 @@ def make_model_and_simulate():
         cell_tallies=['heating'],
         simulation_batches=5,
         simulation_particles_per_batch=1e4,
+        method='trelis',
     )
 
     # starts the neutronics simulation
-    neutronics_model.simulate(method='trelis')
+    neutronics_model.simulate()
 
     # prints the results
     print(neutronics_model.results)

examples/example_neutronics_simulations/component_based_mesh_simulation.py

@@ -7,63 +7,41 @@
 import paramak
 
 
-def make_model_and_simulate():
-    simulation_values = []
-    for mid_radius in [60, 70, 80]:
-
-        # makes the component with a few different size mid radius values
-        my_shape = paramak.CenterColumnShieldHyperbola(
-            height=500,
-            inner_radius=50,
-            mid_radius=mid_radius,
-            outer_radius=100,
-            material_tag='center_column_shield_mat'
-        )
-
-        my_shape.export_stp('my_shape' + str(mid_radius) + '.stp')
-
-        # makes the openmc neutron source at x,y,z 0, 0, 0 with isotropic
-        # diections
-        source = openmc.Source()
-        source.space = openmc.stats.Point((0, 0, 0))
-        source.angle = openmc.stats.Isotropic()
-
-        # converts the geometry into a neutronics geometry
-        my_model = paramak.NeutronicsModel(
-            geometry=my_shape,
-            source=source,
-            materials={'center_column_shield_mat': 'eurofer'},
-            cell_tallies=['heating', 'TBR'],
-            mesh_tally_2d=['heating'],
-            mesh_tally_3d=['heating'],
-            simulation_batches=10,  # should be increased for more accurate result
-            simulation_particles_per_batch=10  # settings are low to reduce time required
-        )
-
-        # performs an openmc simulation on the model
-        my_model.simulate(method='pymoab')
-
-        # extracts the heat from the results dictionary
-        heat = my_model.results['center_column_shield_mat_heating']['Watts']['result']
-
-        # adds the heat and the mid radius value to a list
-        simulation_values.append((mid_radius, heat))
-
-    # plots the simualtion results vs the mid_radius used for the simulation
-    plt.plot(
-        [i[0] for i in simulation_values],
-        [i[1] for i in simulation_values],
-        '-p'
+def main():
+
+    # makes the component with a few different size mid radius values
+    my_shape = paramak.CenterColumnShieldHyperbola(
+        height=500,
+        inner_radius=50,
+        mid_radius=70,
+        outer_radius=100,
+        material_tag='center_column_shield_mat',
+        method='pymoab',
     )
 
-    # adds labels to the graph
-    plt.title("heating vs thickness")
-    plt.xlabel("thickness (cm)")
-    plt.ylabel("heating (watts)")
+    my_shape.export_stp('my_shape.stp')
+
+    # makes the openmc neutron source at x,y,z 0, 0, 0 with isotropic
+    # diections
+    source = openmc.Source()
+    source.space = openmc.stats.Point((0, 0, 0))
+    source.angle = openmc.stats.Isotropic()
+
+    # converts the geometry into a neutronics geometry
+    my_model = paramak.NeutronicsModel(
+        geometry=my_shape,
+        source=source,
+        materials={'center_column_shield_mat': 'WB'},  # WB is tungsten boride
+        cell_tallies=['heating', 'TBR'],
+        mesh_tally_2d=['heating'],
+        mesh_tally_3d=['heating'],
+        simulation_batches=10,  # should be increased for more accurate result
+        simulation_particles_per_batch=10,  # settings are low to reduce time required
+    )
 
-    plt.savefig('heating_vs_thickness.svg')
-    plt.show()
+    # performs an openmc simulation on the model
+    my_model.simulate()
 
 
 if __name__ == "__main__":
-    make_model_and_simulate()
+    main()

examples/example_neutronics_simulations/component_based_parameter_study.py

@@ -7,7 +7,7 @@
 import paramak
 
 
-def make_model_and_simulate():
+def main():
     simulation_values = []
     for mid_radius in [60, 70, 80]:
 
@@ -17,7 +17,8 @@ def make_model_and_simulate():
             inner_radius=50,
             mid_radius=mid_radius,
             outer_radius=100,
-            material_tag='center_column_shield_mat'
+            material_tag='center_column_shield_mat',
+            method='pymoab',
         )
 
         my_shape.export_stp('my_shape' + str(mid_radius) + '.stp')
@@ -32,14 +33,16 @@ def make_model_and_simulate():
         my_model = paramak.NeutronicsModel(
             geometry=my_shape,
             source=source,
-            materials={'center_column_shield_mat': 'eurofer'},
+            materials={
+                'center_column_shield_mat': 'WB'},
+            # WB is tungsten boride
             cell_tallies=['heating'],
             simulation_batches=10,  # should be increased for more accurate result
-            simulation_particles_per_batch=10  # settings are low to reduce time required
+            simulation_particles_per_batch=10,  # settings are low to reduce time required
         )
 
         # performs an openmc simulation on the model
-        my_model.simulate(method='pymoab')
+        my_model.simulate()
 
         # extracts the heat from the results dictionary
         heat = my_model.results['center_column_shield_mat_heating']['Watts']['result']
@@ -64,4 +67,4 @@ def make_model_and_simulate():
 
 
 if __name__ == "__main__":
-    make_model_and_simulate()
+    main()

examples/example_neutronics_simulations/segmented_blanket_ball_reactor.py

@@ -235,10 +235,11 @@ def make_model_and_simulate():
         cell_tallies=['TBR'],
         simulation_batches=5,
         simulation_particles_per_batch=1e4,
+        method='trelis',
     )
 
     # starts the neutronics simulation
-    neutronics_model.simulate(method='trelis')
+    neutronics_model.simulate()
 
     # prints the simulation results to screen
     print('TBR', neutronics_model.results['TBR'])

examples/example_neutronics_simulations/shape_with_gas_production.py

@@ -16,7 +16,8 @@ def main():
         inner_radius=50,
         mid_radius=60,
         outer_radius=100,
-        material_tag='center_column_shield_mat'
+        material_tag='center_column_shield_mat',
+        method='pymoab'
     )
 
     # makes the openmc neutron source at x,y,z 0, 0, 0 with isotropic
@@ -34,12 +35,12 @@ def main():
         cell_tallies=['(n,Xa)', '(n,Xt)', '(n,Xp)'],
         mesh_tally_3d=['(n,Xa)', '(n,Xt)', '(n,Xp)'],
         mesh_tally_2d=['(n,Xa)', '(n,Xt)', '(n,Xp)'],
-        simulation_batches=10,
-        simulation_particles_per_batch=200
+        simulation_batches=2,
+        simulation_particles_per_batch=10,
     )
 
     # performs an openmc simulation on the model
-    my_model.simulate(method='pymoab')
+    my_model.simulate()
 
     # this extracts the values from the results dictionary
     print(my_model.results)