Refactored Version of Electron Transport Capability

mcdc/constant.py

@@ -103,6 +103,13 @@
 NEUTRON_REACTION_FISSION = 4
 NEUTRON_REACTION_FISSION_PROMPT = 5
 NEUTRON_REACTION_FISSION_DELAYED = 6
+ELECTRON_REACTION_TOTAL = 100
+ELECTRON_REACTION_ELASTIC_SCATTERING = 101
+ELECTRON_REACTION_ELASTIC_SMALL_ANGLE = 102
+ELECTRON_REACTION_ELASTIC_LARGE_ANGLE = 103
+ELECTRON_REACTION_IONIZATION = 104
+ELECTRON_REACTION_BREMSSTRAHLUNG = 105
+ELECTRON_REACTION_EXCITATION = 106
 
 # Particle types
 PARTICLE_NEUTRON = 0
@@ -176,7 +183,10 @@
 # Physics
 LIGHT_SPEED = 2.99792458e10  # cm/s
 NEUTRON_MASS = 939.565413e6  # eV/c^2
+ELECTRON_MASS = 510.99895069e3  # eV/c^2
 BOLTZMANN_K = 8.61733326e-5  # eV/K
+ELECTRON_CUTOFF_ENERGY = 100  # eV
+MU_CUTOFF = 0.999999
 THERMAL_THRESHOLD_FACTOR = 400
 
 # Weight Windows Methods

mcdc/main.py

@@ -136,7 +136,13 @@ def preparation():
     from mpi4py import MPI
 
     from mcdc.object_.simulation import simulation
-    from mcdc.object_.material import MaterialMG
+    from mcdc.object_.material import (
+        Material,
+        MaterialMG,
+        set_elements_from_nuclides,
+        set_nuclides_from_elements,
+        update_fissionable_from_nuclides,
+    )
 
     # ==================================================================================
     # Adjust simulation settings as needed
@@ -145,11 +151,30 @@ def preparation():
     # Get settings
     settings = simulation.settings
 
+    # Set material compositions based on transported particles
+    for material in simulation.materials:
+        if not isinstance(material, Material):
+            continue
+
+        if settings.neutron_transport and len(material.nuclides) == 0:
+            set_nuclides_from_elements(material)
+
+        if settings.electron_transport and len(material.elements) == 0:
+            set_elements_from_nuclides(material)
+
     # Set nuclear and atomic data for transported particles
     if settings.neutron_transport:
         for nuclide in simulation.nuclides:
             nuclide.set_neutron_data()
 
+        for material in simulation.materials:
+            if isinstance(material, Material):
+                update_fissionable_from_nuclides(material)
+
+    if settings.electron_transport:
+        for element in simulation.elements:
+            element.set_electron_data()
+
     # Set physics mode
     if len(simulation.materials) == 0:
         # Default physics in dummy mode

mcdc/mcdc_get/__init__.py

@@ -44,6 +44,18 @@
 
 import mcdc.mcdc_get.tabulated_energy_angle_distribution as tabulated_energy_angle_distribution
 
+import mcdc.mcdc_get.electron_reaction as electron_reaction
+
+import mcdc.mcdc_get.electron_bremsstrahlung_reaction as electron_bremsstrahlung_reaction
+
+import mcdc.mcdc_get.electron_elastic_scattering_reaction as electron_elastic_scattering_reaction
+
+import mcdc.mcdc_get.electron_excitation_reaction as electron_excitation_reaction
+
+import mcdc.mcdc_get.electron_ionization_reaction as electron_ionization_reaction
+
+import mcdc.mcdc_get.element as element
+
 import mcdc.mcdc_get.gpu_meta as gpu_meta
 
 import mcdc.mcdc_get.native_material as native_material

mcdc/mcdc_get/electron_bremsstrahlung_reaction.py

@@ -0,0 +1,3 @@
+# The following is automatically generated by code_factory.py
+
+from numba import njit

mcdc/mcdc_get/electron_elastic_scattering_reaction.py

@@ -0,0 +1,3 @@
+# The following is automatically generated by code_factory.py
+
+from numba import njit

mcdc/mcdc_get/electron_excitation_reaction.py

@@ -0,0 +1,3 @@
+# The following is automatically generated by code_factory.py
+
+from numba import njit

mcdc/mcdc_get/electron_ionization_reaction.py

@@ -0,0 +1,61 @@
+# The following is automatically generated by code_factory.py
+
+from numba import njit
+
+
+@njit
+def subshell_x_IDs(index, electron_ionization_reaction, data):
+    offset = electron_ionization_reaction["subshell_x_IDs_offset"]
+    return data[offset + index]
+
+
+@njit
+def subshell_x_IDs_all(electron_ionization_reaction, data):
+    start = electron_ionization_reaction["subshell_x_IDs_offset"]
+    size = electron_ionization_reaction["N_subshell_x"]
+    end = start + size
+    return data[start:end]
+
+
+@njit
+def subshell_x_IDs_last(electron_ionization_reaction, data):
+    start = electron_ionization_reaction["subshell_x_IDs_offset"]
+    size = electron_ionization_reaction["N_subshell_x"]
+    end = start + size
+    return data[end - 1]
+
+
+@njit
+def subshell_x_IDs_chunk(start, length, electron_ionization_reaction, data):
+    start += electron_ionization_reaction["subshell_x_IDs_offset"]
+    end = start + length
+    return data[start:end]
+
+
+@njit
+def subshell_product_IDs(index, electron_ionization_reaction, data):
+    offset = electron_ionization_reaction["subshell_product_IDs_offset"]
+    return data[offset + index]
+
+
+@njit
+def subshell_product_IDs_all(electron_ionization_reaction, data):
+    start = electron_ionization_reaction["subshell_product_IDs_offset"]
+    size = electron_ionization_reaction["N_subshell_product"]
+    end = start + size
+    return data[start:end]
+
+
+@njit
+def subshell_product_IDs_last(electron_ionization_reaction, data):
+    start = electron_ionization_reaction["subshell_product_IDs_offset"]
+    size = electron_ionization_reaction["N_subshell_product"]
+    end = start + size
+    return data[end - 1]
+
+
+@njit
+def subshell_product_IDs_chunk(start, length, electron_ionization_reaction, data):
+    start += electron_ionization_reaction["subshell_product_IDs_offset"]
+    end = start + length
+    return data[start:end]

mcdc/mcdc_get/electron_reaction.py

@@ -0,0 +1,32 @@
+# The following is automatically generated by code_factory.py
+
+from numba import njit
+
+
+@njit
+def xs(index, electron_reaction, data):
+    offset = electron_reaction["xs_offset"]
+    return data[offset + index]
+
+
+@njit
+def xs_all(electron_reaction, data):
+    start = electron_reaction["xs_offset"]
+    size = electron_reaction["xs_length"]
+    end = start + size
+    return data[start:end]
+
+
+@njit
+def xs_last(electron_reaction, data):
+    start = electron_reaction["xs_offset"]
+    size = electron_reaction["xs_length"]
+    end = start + size
+    return data[end - 1]
+
+
+@njit
+def xs_chunk(start, length, electron_reaction, data):
+    start += electron_reaction["xs_offset"]
+    end = start + length
+    return data[start:end]