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OpenMC Python API inputs: FNS Clean Benchmarks on W, V, Be #10

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282 changes: 282 additions & 0 deletions fns_clean_benchmarks/fns_be/fns_be_build_xml.py
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import openmc
import numpy as np

##############################################################################
# Analysis of Beryllium Experiment

###############################################################################
# Materials

mat1 = openmc.Material(material_id=1, name='air')
mat1.set_density('atom/b-cm', 4.921e-05)
mat1.add_nuclide('N14', 0.7886608412924202, 'ao')
mat1.add_nuclide('O16', 0.21133915870757974, 'ao')

mat2 = openmc.Material(material_id=2, name='Beryllium')
mat2.set_density('atom/b-cm', 0.122149 )
mat2.add_nuclide('Be9', 0.9927289710133025 , 'ao')
mat2.add_nuclide('C12', 0.0006299237839521456 , 'ao')
mat2.add_nuclide('O16', 0.0040693555162183695 , 'ao')
mat2.add_nuclide('Al27', 0.0023701485875583395 , 'ao')
mat2.add_nuclide('Fe54', 1.1783584234715633e-05, 'ao')
mat2.add_nuclide('Fe56', 0.00018497707234766441, 'ao')
mat2.add_nuclide('Fe57', 4.271927287144984e-06 , 'ao')
mat2.add_nuclide('Fe58', 5.685150990914985e-07 , 'ao')

mat3 = openmc.Material(material_id=3, name='drawer-tube')
mat3.set_density('atom/b-cm', 0.0200898)
mat3.add_nuclide('Mn55', 0.00997121925432881, 'ao')
mat3.add_nuclide('Cr50', 0.008470987544935695, 'ao')
mat3.add_nuclide('Cr52', 0.1633545628084274, 'ao')
mat3.add_nuclide('Cr53', 0.018523096125301272, 'ao')
mat3.add_nuclide('Cr54', 0.004610790689015631, 'ao')
mat3.add_nuclide('Fe54', 0.041430336359409875, 'ao')
mat3.add_nuclide('Fe56', 0.6503676787547126, 'ao')
mat3.add_nuclide('Fe57', 0.015019825961606423, 'ao')
mat3.add_nuclide('Fe58', 0.001998863105791888, 'ao')
mat3.add_nuclide('Ni58', 0.05871820932193519, 'ao')
mat3.add_nuclide('Ni60', 0.022618029628936442, 'ao')
mat3.add_nuclide('Ni61', 0.0009831938364803666, 'ao')
mat3.add_nuclide('Ni62', 0.0031349384315041144, 'ao')
mat3.add_nuclide('Ni64', 0.0007982681776143339, 'ao')

# Collect materials, export to XML
materials = openmc.Materials([mat1, mat2, mat3])
materials.export_to_xml()

###############################################################################
# Geometry

# Surfaces
one = openmc.ZPlane(surface_id=1, z0=-10.0 )
two = openmc.ZPlane(surface_id=2, z0=20.0 )
three = openmc.ZPlane(surface_id=3, z0=65.54 )
four = openmc.ZPlane(surface_id=4, z0=70.00 )
five = openmc.ZCylinder(surface_id=5, r=31.5 )
six = openmc.ZCylinder(surface_id=6, r=35.0 )
seven = openmc.XPlane(surface_id=7, x0=-2.46 )
eight = openmc.XPlane(surface_id=8, x0=2.46 )
nine = openmc.XPlane(surface_id=9, x0=-2.54 )
ten = openmc.XPlane(surface_id=10, x0=2.54 )
eleven = openmc.YPlane(surface_id=11, y0=-2.46 )
twelve = openmc.YPlane(surface_id=12, y0=2.46 )
thirtn = openmc.YPlane(surface_id=13, y0=-2.54 )
fourtn = openmc.YPlane(surface_id=14, y0=2.54 )
fiftn = openmc.ZPlane(surface_id=15, z0=19.9 )
sixtn = openmc.ZPlane(surface_id=16, z0=21.0 )
sevent = openmc.ZPlane(surface_id=17, z0=22.0 )
eightn = openmc.ZPlane(surface_id=18, z0=23.4 )
nintn = openmc.ZPlane(surface_id=19, z0=24.0 )
twenty = openmc.ZPlane(surface_id=20, z0=25.0 )
twentyone = openmc.ZPlane(surface_id=21, z0=27.0 )
twentytwo = openmc.ZPlane(surface_id=22, z0=29.0 )
twentythree = openmc.ZPlane(surface_id=23, z0=31.0 )
twentyfour = openmc.ZPlane(surface_id=24, z0=33.0 )
twentyfive = openmc.ZPlane(surface_id=25, z0=35.0 )
twentysix = openmc.ZPlane(surface_id=26, z0=37.0 )
twentyseven = openmc.ZPlane(surface_id=27, z0=39.0 )
twentyeight = openmc.ZPlane(surface_id=28, z0=41.0 )
twentynine = openmc.ZPlane(surface_id=29, z0=43.0 )
thirty = openmc.ZPlane(surface_id=30, z0=45.0 )
thirtyone = openmc.ZPlane(surface_id=31, z0=48.0 )
thirtytwo = openmc.ZPlane(surface_id=32, z0=51.0 )
thirtythree = openmc.ZPlane(surface_id=33, z0=54.0 )
thirtyfour = openmc.ZPlane(surface_id=34, z0=57.0 )
thirtyfive = openmc.ZPlane(surface_id=35, z0=60.0 )
thirtysix = openmc.ZPlane(surface_id=36, z0=63.0 )
thirtyseven = openmc.ZPlane(surface_id=37, z0=66.0 )
thirtyeight = openmc.Sphere(surface_id=38, x0=0.0, y0=0.0, z0=0.0, r=0.5)
thirtynine = openmc.ZPlane(surface_id=39, z0=-15.0 )
forty = openmc.ZPlane(surface_id=40, z0=75.0 )

one.boundary_type = 'vacuum'
forty.boundary_type = 'vacuum'
six.boundary_type = 'vacuum'

# Cells
cell1 = openmc.Cell(cell_id=1, name='Cell 1')
cell2 = openmc.Cell(cell_id=2, name='cell 2')
cell3 = openmc.Cell(cell_id=3, name='cell 3')
cell4 = openmc.Cell(cell_id=4, name='cell 4')
cell5 = openmc.Cell(cell_id=5, name='cell 5')
cell6 = openmc.Cell(cell_id=6, name='cell 6')
cell7 = openmc.Cell(cell_id=7, name='cell 7')
cell8 = openmc.Cell(cell_id=8, name='cell 8')
cell9 = openmc.Cell(cell_id=9, name='cell 9')
cell10 = openmc.Cell(cell_id=10, name='cell 10')
cell11 = openmc.Cell(cell_id=11, name='cell 11')
cell12 = openmc.Cell(cell_id=12, name='cell 12')
cell13 = openmc.Cell(cell_id=13, name='cell 13')
cell14 = openmc.Cell(cell_id=14, name='cell 14')
cell15 = openmc.Cell(cell_id=15, name='cell 15')
cell16 = openmc.Cell(cell_id=16, name='cell 16')
cell17 = openmc.Cell(cell_id=17, name='cell 17')
cell18 = openmc.Cell(cell_id=18, name='cell 18')
cell19 = openmc.Cell(cell_id=19, name='cell 19')
cell20 = openmc.Cell(cell_id=20, name='cell 20')
cell21 = openmc.Cell(cell_id=21, name='cell 21')
cell22 = openmc.Cell(cell_id=22, name='cell 22')
cell23 = openmc.Cell(cell_id=23, name='cell 23')
cell24 = openmc.Cell(cell_id=24, name='cell 24')
cell25 = openmc.Cell(cell_id=25, name='cell 25')
cell26 = openmc.Cell(cell_id=26, name='cell 26')
cell27 = openmc.Cell(cell_id=27, name='cell 27')
cell28 = openmc.Cell(cell_id=28, name='cell 28')
cell29 = openmc.Cell(cell_id=29, name='cell 29')
cell30 = openmc.Cell(cell_id=30, name='cell 30')

# Regions
cell1.region = +one & -two & -five & +thirtyeight & ~ (+fiftn & -two & +seven & -eight & +eleven & -twelve)
cell2.region = +three & -four & -five & ~ (+three & -thirtyseven & +seven & -eight & +eleven & -twelve)
cell3.region = (+two & -three & -five & -nine) | (+two & -three & -five & +ten) | (+two & -three & -five & -thirtn) | (+two & -three & -five & +fourtn)
cell4.region = (+two & -three & +nine & -seven & +thirtn & -fourtn) | (+two & -three & +eight & -ten & +thirtn & -fourtn) | (+two & -three & +seven & -eight & +thirtn & -eleven) | (+two & -three & +seven & -eight & +twelve & -fourtn)
cell5.region = +fiftn & -two & +seven & -eight & +eleven & -twelve
cell6.region = +two & -sixtn & +seven & -eight & +eleven & -twelve
cell7.region = +sixtn & -sevent & +seven & -eight & +eleven & -twelve
cell8.region = +sevent & -eightn & +seven & -eight & +eleven & -twelve
cell9.region = +eightn & -nintn & +seven & -eight & +eleven & -twelve
cell10.region = +nintn & -twenty & +seven & -eight & +eleven & -twelve
cell11.region = +twenty & -twentyone & +seven & -eight & +eleven & -twelve
cell12.region = +twentyone & -twentytwo & +seven & -eight & +eleven & -twelve
cell13.region = +twentytwo & -twentythree & +seven & -eight & +eleven & -twelve
cell14.region = +twentythree & -twentyfour & +seven & -eight & +eleven & -twelve
cell15.region = +twentyfour & -twentyfive & +seven & -eight & +eleven & -twelve
cell16.region = +twentyfive & -twentysix & +seven & -eight & +eleven & -twelve
cell17.region = +twentysix & -twentyseven & +seven & -eight & +eleven & -twelve
cell18.region = +twentyseven & -twentyeight & +seven & -eight & +eleven & -twelve
cell19.region = +twentyeight & -twentynine & +seven & -eight & +eleven & -twelve
cell20.region = +twentynine & -thirty & +seven & -eight & +eleven & -twelve
cell21.region = +thirty & -thirtyone & +seven & -eight & +eleven & -twelve
cell22.region = +thirtyone & -thirtytwo & +seven & -eight & +eleven & -twelve
cell23.region = +thirtytwo & -thirtythree & +seven & -eight & +eleven & -twelve
cell24.region = +thirtythree & -thirtyfour & +seven & -eight & +eleven & -twelve
cell25.region = +thirtyfour & -thirtyfive & +seven & -eight & +eleven & -twelve
cell26.region = +thirtyfive & -thirtysix & +seven & -eight & +eleven & -twelve
cell27.region = +thirtysix & -three & +seven & -eight & +eleven & -twelve
cell28.region = +three & -thirtyseven & +seven & -eight & +eleven & -twelve
cell29.region = -thirtyeight
cell30.region = (+thirtynine & -one & -six) | (+one & -four & -six & +five) | (+four & -forty & -six)

# cell materials
cell1.fill = mat1
cell2.fill = mat1
cell3.fill = mat2
cell4.fill = mat3
cell5.fill = mat1
cell6.fill = mat2
cell7.fill = mat2
cell8.fill = mat2
cell9.fill = mat2
cell10.fill = mat2
cell11.fill = mat2
cell12.fill = mat2
cell13.fill = mat2
cell14.fill = mat2
cell15.fill = mat2
cell16.fill = mat2
cell17.fill = mat2
cell18.fill = mat2
cell19.fill = mat2
cell20.fill = mat2
cell21.fill = mat2
cell22.fill = mat2
cell23.fill = mat2
cell24.fill = mat2
cell25.fill = mat2
cell26.fill = mat2
cell27.fill = mat2
cell28.fill = mat1
cell29.fill = mat1

# Create a geometry and export to XML
geometry = openmc.Geometry([cell1,cell2,cell3,cell4,cell5,cell6,cell7,cell8,cell9,cell10,cell11,cell12,cell13,cell14,cell15,cell16,cell17,cell18,cell19,cell20,cell21,cell22,cell23,cell24,cell25,cell26,cell27,cell28,cell29,cell30])
geometry.export_to_xml()

###############################################################################
# Define problem settings

# Indicate how many particles to run
settings = openmc.Settings()
settings.run_mode = 'fixed source'
settings.batches = 1000000
settings.particles = 200
settings.survival_biasing = True

# Create source distribution
# upper neutron energy bins
x = 1e6*np.array([1.0010e-11, 3.2241e-07,
5.3156e-07, 8.7640e-07, 1.4449e-06, 2.3823e-06, 3.9278e-06,
6.4758e-06, 1.0677e-05, 1.7603e-05, 2.9023e-05, 4.7850e-05,
7.8891e-05, 1.3007e-04, 2.1445e-04, 3.5357e-04, 5.8293e-04,
9.6110e-04, 1.2341e-03, 1.5846e-03, 2.0346e-03, 2.6125e-03,
3.3546e-03, 4.3073e-03, 5.5307e-03, 7.1016e-03, 9.1186e-03,
1.1709e-02, 1.5034e-02, 1.9304e-02, 2.1874e-02, 2.4787e-02,
2.8087e-02, 3.1827e-02, 3.6065e-02, 4.0867e-02, 4.6308e-02,
5.2474e-02, 5.9461e-02, 6.7378e-02, 7.6349e-02, 8.6515e-02,
9.8035e-02, 1.1109e-01, 1.2588e-01, 1.4264e-01, 1.6163e-01,
1.8315e-01, 2.0754e-01, 2.3517e-01, 2.6649e-01, 3.0197e-01,
3.4217e-01, 3.8774e-01, 4.3936e-01, 4.9786e-01, 5.6415e-01,
6.3927e-01, 7.2438e-01, 8.2084e-01, 9.3013e-01, 1.0540e+00,
1.1943e+00, 1.3533e+00, 1.5335e+00, 1.7377e+00, 1.8498e+00,
1.9691e+00, 2.0961e+00, 2.2313e+00, 2.3752e+00, 2.5284e+00,
2.6914e+00, 2.8650e+00, 3.0498e+00, 3.2465e+00, 3.4559e+00,
3.6787e+00, 3.9160e+00, 4.1686e+00, 4.4374e+00, 4.7236e+00,
5.0282e+00, 5.3525e+00, 5.6978e+00, 6.0652e+00, 6.4564e+00,
6.8728e+00, 7.3161e+00, 7.7879e+00, 8.2902e+00, 8.8249e+00,
9.3940e+00, 9.9999e+00, 1.0157e+01, 1.0317e+01, 1.0480e+01,
1.0645e+01, 1.0812e+01, 1.0983e+01, 1.1156e+01, 1.1331e+01,
1.1510e+01, 1.1691e+01, 1.1875e+01, 1.2062e+01, 1.2252e+01,
1.2445e+01, 1.2641e+01, 1.2840e+01, 1.3042e+01, 1.3248e+01,
1.3456e+01, 1.3668e+01, 1.3883e+01, 1.4102e+01, 1.4324e+01,
1.4550e+01, 1.4779e+01, 1.5012e+01, 1.5248e+01, 1.5488e+01])

# bin probabilities
p = np.array([0.0, 1.5142e-07,
2.2732e-09, 4.2225e-09, 7.4848e-09, 1.4264e-08, 8.3975e-08,
1.8398e-07, 2.2450e-07, 1.3922e-07, 1.6817e-07, 2.9754e-07,
3.8068e-06, 3.0541e-06, 2.2612e-06, 6.9372e-06, 7.2049e-06,
8.7622e-06, 7.8013e-06, 1.4320e-05, 1.1820e-05, 1.6544e-05,
1.4791e-05, 1.7624e-05, 2.8404e-05, 2.4899e-05, 3.7633e-05,
4.4237e-05, 4.6320e-05, 6.1572e-05, 3.7185e-05, 5.3362e-05,
4.8831e-05, 5.0292e-05, 5.7202e-05, 6.9230e-05, 8.0602e-05,
8.3190e-05, 9.7450e-05, 1.0531e-04, 1.2632e-04, 1.4874e-04,
1.7906e-04, 3.7225e-04, 4.9933e-04, 5.3824e-04, 6.0762e-04,
7.0593e-04, 8.0965e-04, 9.5392e-04, 1.0785e-03, 1.2232e-03,
1.3867e-03, 1.5803e-03, 1.6473e-03, 1.8238e-03, 2.0605e-03,
2.2042e-03, 2.3040e-03, 2.5211e-03, 2.5709e-03, 2.5872e-03,
2.5765e-03, 2.7699e-03, 2.8528e-03, 2.5945e-03, 1.3898e-03,
1.4298e-03, 1.3270e-03, 1.3489e-03, 1.3820e-03, 1.4312e-03,
1.3760e-03, 1.4329e-03, 1.4558e-03, 1.3518e-03, 1.4053e-03,
1.2861e-03, 1.2741e-03, 1.1711e-03, 1.1937e-03, 1.0563e-03,
1.0018e-03, 8.8451e-04, 7.9827e-04, 7.9293e-04, 7.5872e-04,
6.9228e-04, 6.2956e-04, 5.1710e-04, 5.0750e-04, 5.1007e-04,
4.1280e-04, 3.5649e-04, 9.0768e-05, 8.2287e-05, 9.2862e-05,
9.1407e-05, 9.3708e-05, 7.9567e-05, 8.8737e-05, 8.7841e-05,
1.1227e-04, 1.6798e-04, 1.5985e-04, 1.6563e-04, 2.1025e-04,
4.1363e-04, 7.4899e-04, 7.8183e-04, 5.1771e-04, 4.5938e-04,
4.6458e-04, 9.1020e-04, 2.6083e-03, 9.5007e-04, 5.1474e-03,
3.0897e-02, 2.3565e-01, 4.0901e-01, 2.2296e-01, 1.4419e-01])

source = openmc.Source
source.particle = 'neutron'
source.space = openmc.stats.Point(xyz=(0.0,0.0,0.0))
source.angle = openmc.stats.Isotropic()
source.energy = openmc.stats.Tabular(x,p,interpolation='histogram')
settings.source = openmc.source.Source()
settings.export_to_xml()

###############################################################################
# Tallies
# neutron energy spectrum tally
cell_filter = openmc.CellFilter([cell5,cell6,cell7,cell8,cell9,cell10,cell11,cell12,cell13,cell14,cell15,cell16,cell17,cell18,cell19,cell20,cell21,cell22,cell23,cell24,cell25,cell26])
energy_n = openmc.EnergyFilter(x)
particle_n = openmc.ParticleFilter(['neutron'])
tally_n = openmc.Tally(name="Neutron Spectrum")
tally_n.filters = [cell_filter,energy_n,particle_n]
tally_n.scores = ['flux']

# Instantiate a Tallies collection and export to XML
tallies = openmc.Tallies([tally_n])
tallies.export_to_xml()

openmc.run()
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