Merge pull request #25 from fusion-energy/develop

Adding support for unit conversion of damage tallies to DPA

.github/workflows/ci_with_install.yml

@@ -28,7 +28,6 @@ jobs:
       - name: install package
         run: |
           conda install -c conda-forge openmc
-          # conda install -c cadquery -c conda-forge cadquery=2.1
           python setup.py install
 
       - name: install packages for tests
@@ -45,6 +44,7 @@ jobs:
         run: |
           cd examples
           python processing_2d_mesh_effective_dose_tally.py
+          python processing_cell_damage-energy_tally.py
           python processing_cell_effective_dose_tally.py
           python processing_cell_flux_tally.py
           python processing_cell_heating_tally.py

examples/processing_2d_mesh_effective_dose_tally.py

@@ -17,8 +17,7 @@
 
 # scaled from picosievert to sievert
 result = opp.process_dose_tally(
-    tally=my_tally,
-    required_units="sievert cm **2 / simulated_particle"
+    tally=my_tally, required_units="sievert cm **2 / simulated_particle"
 )
 # the tally result with required units
 print(result)

examples/processing_cell_damage-energy_tally.py

@@ -0,0 +1,68 @@
+import openmc_post_processor as opp
+import openmc
+
+# loads in the statepoint file containing tallies
+statepoint = openmc.StatePoint(filepath="statepoint.2.h5")
+
+# gets one tally from the available tallies
+my_tally = statepoint.get_tally(name="2_damage-energy")
+
+
+# returns the tally with base units
+result = opp.process_damage_energy_tally(
+    tally=my_tally, required_units="eV / simulated_particle"
+)
+print(f"damage-energy base units = {result}", end="\n\n")
+
+
+# returns the tally with scalled based units (MeV instead of eV)
+result, std_dev = opp.process_damage_energy_tally(
+    tally=my_tally,
+    required_units="MeV / simulated_particle"
+    # required_units="displacements per atoms"
+)
+print(f"damage-energy scaled base units = {result}", end="\n\n")
+
+# # returns the tally with scalled based units (MeV instead of eV)
+result, std_dev = opp.process_damage_energy_tally(
+    tally=my_tally,
+    required_units="MeV",
+    source_strength=1,
+)
+print(f"damage-energy scaled base units = {result}", end="\n\n")
+
+
+my_mat = openmc.Material()
+my_mat.add_element("Fe", 1)
+my_mat.set_density("g/cm3", 1)
+
+result, std_dev = opp.process_damage_energy_tally(
+    tally=my_tally,
+    required_units="MeV per atom",
+    source_strength=1,
+    volume=5,
+    material=my_mat,
+)
+print(f"damage-energy scaled base units = {result}", end="\n\n")
+
+result, std_dev = opp.process_damage_energy_tally(
+    tally=my_tally,
+    required_units="displacements",
+    source_strength=1,
+    volume=5,
+    material=my_mat,
+    energy_per_displacement=10,
+    recombination_fraction=0.1,
+)
+print(f"damage-energy = {result}", end="\n\n")
+
+result, std_dev = opp.process_damage_energy_tally(
+    tally=my_tally,
+    required_units="displacements per pulse",
+    source_strength=0.5,
+    volume=5,
+    material=my_mat,
+    energy_per_displacement=10,
+    recombination_fraction=0.1,
+)
+print(f"damage-energy = {result}", end="\n\n")

examples/processing_cell_flux_tally.py

@@ -11,8 +11,7 @@
 
 # returns the tally with base units
 result = opp.process_tally(
-    tally=my_tally,
-    required_units="centimeter / simulated_particle"
+    tally=my_tally, required_units="centimeter / simulated_particle"
 )
 print(f"flux base units = {result[0].units}", end="\n\n")
 

examples/processing_cell_heating_tally.py

@@ -9,10 +9,7 @@
 
 
 # returns the tally with base units
-result = opp.process_tally(
-    tally=my_tally,
-    required_units='eV / simulated_particle'
-)
+result = opp.process_tally(tally=my_tally, required_units="eV / simulated_particle")
 print(f"heating base units = {result}", end="\n\n")
 
 

examples/processing_cell_spectra_tally.py

@@ -29,7 +29,7 @@
     tally=my_tally,
     required_units="centimeter / pulse",
     required_energy_units="eV",
-    source_strength=1.3e6
+    source_strength=1.3e6,
 )
 print(f"spectra per pulse = {result}", end="\n\n")
 
@@ -40,6 +40,6 @@
     tally=my_tally,
     required_units="centimeter / second",
     required_energy_units="MeV",
-    source_strength=1e9
+    source_strength=1e9,
 )
 print(f"spectra per pulse = {result}", end="\n\n")

examples/processing_mutliple_cell_spectra_tally.py

@@ -19,7 +19,7 @@
     y_scale="log",
     filename="combine_spectra_plot_1.html",
     required_energy_units="eV",
-    plotting_package='plotly',
+    plotting_package="plotly",
     required_units="centimeters / simulated_particle",
 )
 
@@ -33,7 +33,7 @@
     y_scale="log",
     filename="combine_spectra_plot_2.html",
     required_energy_units="MeV",
-    plotting_package='plotly',
+    plotting_package="plotly",
     required_units="centimeter / second",
     source_strength=1.3e6,
 )
@@ -47,8 +47,8 @@
     y_scale="log",
     filename="combine_spectra_plot_3.html",
     required_energy_units="MeV",
-    plotting_package='plotly',
+    plotting_package="plotly",
     required_units="neutrons / second * cm ** -2",
     source_strength=1.3e7,
-    volume=100
+    volume=100,
 )

openmc_post_processor/__init__.py

@@ -7,5 +7,6 @@
     process_tally,
     process_dose_tally,
     process_spectra_tally,
-    scale_tally
+    process_damage_energy_tally,
+    scale_tally,
 )

openmc_post_processor/neutronics_units.txt

@@ -5,4 +5,6 @@ particle = []
 neutron = []
 photon = []
 simulated_particle = []
+atom = [atom]
+displacements = [displacements]
 pulse = [pulse]