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Infinite Lattice Model (No large file history) #40

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3ce314d
initial models
ZoeRichter Aug 12, 2025
9be547e
reorganize, model v2
ZoeRichter Aug 12, 2025
c42a684
static core models
ZoeRichter Aug 12, 2025
4c53ca9
plotting script
ZoeRichter Aug 12, 2025
2776314
bcc_phys initial setup
ZoeRichter Aug 12, 2025
c0ec5b7
reorganize, rename
ZoeRichter Aug 12, 2025
3c5765b
simplifying inputs, cleaned repo
ZoeRichter Aug 12, 2025
dc8e35b
added missing files
ZoeRichter Aug 12, 2025
3e1700c
added lines to create model.xml, fixed typo in mat id
ZoeRichter Aug 13, 2025
ed93217
update a few missing changes after cherrypicking
ZoeRichter Aug 13, 2025
11f85c7
simplified directory structure
ZoeRichter Aug 13, 2025
9d4f07d
checkpoint
ZoeRichter Aug 13, 2025
b8c11c3
>:[
ZoeRichter Aug 14, 2025
417c89b
eased up on sim parameters - keff still under 100 pcm error
ZoeRichter Aug 18, 2025
d889315
update
ZoeRichter Aug 19, 2025
8d00fbc
chart of nuclides dev draft
ZoeRichter Aug 28, 2025
119a258
Merge branch 'cleanup' of github.com:ZoeRichter/ghastly into cleanup
ZoeRichter Aug 28, 2025
fd2dcff
new tally
ZoeRichter Oct 2, 2025
f5dbf53
small commit
ZoeRichter Oct 2, 2025
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24 changes: 24 additions & 0 deletions openmc_models/bcc_phys/corewise/0days/bcc_model.py
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import openmc
import openmc.deplete
import numpy as np

ucot = openmc.Material(name='UCO_TRACKED', material_id=14)
ucot.set_density('g/cm3', 10.4)
ucot.add_nuclide("U235", 0.1386, percent_type='wo')
ucot.add_nuclide("U238",0.7559, percent_type='wo')
ucot.add_element("O", 0.06025, percent_type='wo')
ucot.add_element('C', 0.04523, percent_type='wo')
ucot.add_s_alpha_beta('c_Graphite')
ucot.depletable = True
ucot.temperature = 1159.15 #K

materials = openmc.Materials.from_xml('../materials.xml')
materials.append(ucot)
geometry = openmc.Geometry.from_xml("../geometry.xml", materials)
settings = openmc.Settings.from_xml('../settings.xml')
tallies = openmc.Tallies.from_xml('../tallies.xml')

model = openmc.model.Model(geometry, materials, settings, tallies)
model.export_to_model_xml()

openmc.run()
34 changes: 34 additions & 0 deletions openmc_models/bcc_phys/corewise/1249days/bcc_model.py
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import openmc
import openmc.deplete
import numpy as np

dep_file = '../i4-dep-res.h5'
mat_file = '../i4-mats.xml'
res = openmc.deplete.Results(dep_file)
dep_t = res.get_times()
step_comps = [res.export_to_materials(i,
path=mat_file)[0].get_nuclide_densities()
for i in range(len(dep_t))]
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@katyhuff katyhuff Aug 21, 2025

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Is this indentation right?

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@ZoeRichter ZoeRichter Oct 2, 2025

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Yes - the second line is still part of the 'export_to_materials' term


comp1249days = {}
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@katyhuff katyhuff Aug 21, 2025

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Is the name of this variable the only thing that's different between these various bcc_model.py files?
If so, maybe the number of days can be a input variable for this script and we could instead have many fewer bcc_model.py files in the repo ... Maybe that's not helpful, but it's always worth thinking about how to avoid replicated code (because replicated code replicates bugs -- see Robert C. Martin, Clean Code).

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@ZoeRichter ZoeRichter Oct 2, 2025

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No, the depletion step the compositions are based on are different each time, which is why I redefine that single material each time. Materials that all the bcc models share are made by the gen_inputs script one level up, then pulled in here. That way, the full list of materials can be used by the openmc model when the geometry information is read in.

for k, v in step_comps[40].items():
comp1249days[k] = {}
comp1249days[k] = v[1]

ucot = openmc.Material(name='UCO_TRACKED', material_id=14)
ucot.set_density('g/cm3', 10.4)
ucot.add_components(comp1249days, percent_type = 'ao')
ucot.add_s_alpha_beta('c_Graphite')
ucot.depletable = True
ucot.temperature = 1159.15 #K

materials = openmc.Materials.from_xml('../materials.xml')
materials.append(ucot)
geometry = openmc.Geometry.from_xml("../geometry.xml", materials)
settings = openmc.Settings.from_xml('../settings.xml')
tallies = openmc.Tallies.from_xml('../tallies.xml')

model = openmc.model.Model(geometry, materials, settings, tallies)
model.export_to_model_xml()

openmc.run()
34 changes: 34 additions & 0 deletions openmc_models/bcc_phys/corewise/1549days/bcc_model.py
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import openmc
import openmc.deplete
import numpy as np

dep_file = '../i4-dep-res.h5'
mat_file = '../i4-mats.xml'
res = openmc.deplete.Results(dep_file)
dep_t = res.get_times()
step_comps = [res.export_to_materials(i,
path=mat_file)[0].get_nuclide_densities()
for i in range(len(dep_t))]

comp1549days = {}
for k, v in step_comps[-1].items():
comp1549days[k] = {}
comp1549days[k] = v[1]

ucot = openmc.Material(name='UCO_TRACKED', material_id=14)
ucot.set_density('g/cm3', 10.4)
ucot.add_components(comp1549days, percent_type = 'ao')
ucot.add_s_alpha_beta('c_Graphite')
ucot.depletable = True
ucot.temperature = 1159.15 #K

materials = openmc.Materials.from_xml('../materials.xml')
materials.append(ucot)
geometry = openmc.Geometry.from_xml("../geometry.xml", materials)
settings = openmc.Settings.from_xml('../settings.xml')
tallies = openmc.Tallies.from_xml('../tallies.xml')

model = openmc.model.Model(geometry, materials, settings, tallies)
model.export_to_model_xml()

openmc.run()
34 changes: 34 additions & 0 deletions openmc_models/bcc_phys/corewise/249days/bcc_model.py
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Original file line number Diff line number Diff line change
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import openmc
import openmc.deplete
import numpy as np

dep_file = '../i4-dep-res.h5'
mat_file = '../i4-mats.xml'
res = openmc.deplete.Results(dep_file)
dep_t = res.get_times()
step_comps = [res.export_to_materials(i,
path=mat_file)[0].get_nuclide_densities()
for i in range(len(dep_t))]

comp249days = {}
for k, v in step_comps[18].items():
comp249days[k] = {}
comp249days[k] = v[1]

ucot = openmc.Material(name='UCO_TRACKED', material_id=14)
ucot.set_density('g/cm3', 10.4)
ucot.add_components(comp249days, percent_type = 'ao')
ucot.add_s_alpha_beta('c_Graphite')
ucot.depletable = True
ucot.temperature = 1159.15 #K

materials = openmc.Materials.from_xml('../materials.xml')
materials.append(ucot)
geometry = openmc.Geometry.from_xml("../geometry.xml", materials)
settings = openmc.Settings.from_xml('../settings.xml')
tallies = openmc.Tallies.from_xml('../tallies.xml')

model = openmc.model.Model(geometry, materials, settings, tallies)
model.export_to_model_xml()

openmc.run()
36 changes: 36 additions & 0 deletions openmc_models/bcc_phys/corewise/499days/bcc_model.py
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import openmc
import openmc.deplete
import numpy as np

dep_file = '../i4-dep-res.h5'
mat_file = '../i4-mats.xml'
res = openmc.deplete.Results(dep_file)
dep_t = res.get_times()
step_comps = [res.export_to_materials(i,
path=mat_file)[0].get_nuclide_densities()
for i in range(len(dep_t))]

comp499days = {}
for k, v in step_comps[25].items():
comp499days[k] = {}
comp499days[k] = v[1]

ucot = openmc.Material(name='UCO_TRACKED', material_id=14)
ucot.set_density('g/cm3', 10.4)
ucot.add_components(comp499days, percent_type = 'ao')
ucot.add_s_alpha_beta('c_Graphite')
ucot.depletable = True
ucot.temperature = 1159.15 #K

materials = openmc.Materials.from_xml('../materials.xml')
materials.append(ucot)
geometry = openmc.Geometry.from_xml("../geometry.xml", materials)
settings = openmc.Settings.from_xml('../settings.xml')
tallies = openmc.Tallies.from_xml('../tallies.xml')

model = openmc.model.Model(geometry, materials, settings, tallies)
model.export_to_model_xml()

openmc.run()


34 changes: 34 additions & 0 deletions openmc_models/bcc_phys/corewise/749days/bcc_model.py
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Original file line number Diff line number Diff line change
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import openmc
import openmc.deplete
import numpy as np

dep_file = '../i4-dep-res.h5'
mat_file = '../i4-mats.xml'
res = openmc.deplete.Results(dep_file)
dep_t = res.get_times()
step_comps = [res.export_to_materials(i,
path=mat_file)[0].get_nuclide_densities()
for i in range(len(dep_t))]

comp749days = {}
for k, v in step_comps[30].items():
comp749days[k] = {}
comp749days[k] = v[1]

ucot = openmc.Material(name='UCO_TRACKED', material_id=14)
ucot.set_density('g/cm3', 10.4)
ucot.add_components(comp749days, percent_type = 'ao')
ucot.add_s_alpha_beta('c_Graphite')
ucot.depletable = True
ucot.temperature = 1159.15 #K

materials = openmc.Materials.from_xml('../materials.xml')
materials.append(ucot)
geometry = openmc.Geometry.from_xml("../geometry.xml", materials)
settings = openmc.Settings.from_xml('../settings.xml')
tallies = openmc.Tallies.from_xml('../tallies.xml')

model = openmc.model.Model(geometry, materials, settings, tallies)
model.export_to_model_xml()

openmc.run()
34 changes: 34 additions & 0 deletions openmc_models/bcc_phys/corewise/999days/bcc_model.py
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import openmc
import openmc.deplete
import numpy as np

dep_file = '../i4-dep-res.h5'
mat_file = '../i4-mats.xml'
res = openmc.deplete.Results(dep_file)
dep_t = res.get_times()
step_comps = [res.export_to_materials(i,
path=mat_file)[0].get_nuclide_densities()
for i in range(len(dep_t))]

comp999days = {}
for k, v in step_comps[35].items():
comp999days[k] = {}
comp999days[k] = v[1]

ucot = openmc.Material(name='UCO_TRACKED', material_id=14)
ucot.set_density('g/cm3', 10.4)
ucot.add_components(comp999days, percent_type = 'ao')
ucot.add_s_alpha_beta('c_Graphite')
ucot.depletable = True
ucot.temperature = 1159.15 #K

materials = openmc.Materials.from_xml('../materials.xml')
materials.append(ucot)
geometry = openmc.Geometry.from_xml("../geometry.xml", materials)
settings = openmc.Settings.from_xml('../settings.xml')
tallies = openmc.Tallies.from_xml('../tallies.xml')

model = openmc.model.Model(geometry, materials, settings, tallies)
model.export_to_model_xml()

openmc.run()
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