def create_mats(mat_spec):
"""Create materials for study and returns the materials.
"""
# Define the material
iso = mat_spec.name
dens = mat_spec.dens
# Instantiate Nuclides
candidate = openmc.Nuclide(iso)
he3 = openmc.Nuclide('He3')
# Create materials
fuel = openmc.Material(name=iso)
fuel.set_density('g/cm3', dens)
fuel.add_nuclide(candidate, 1.0)
air = openmc.Material(name='air')
air.set_density('g/cm3', 0.001225)
air.add_nuclide(he3, 1.0)
materials_file = openmc.Materials((fuel, air))
materials_file.default_xs = '71c'
materials_file.export_to_xml()
return fuel, air
def _build_inputs(self):
# The summary.h5 file needs to be created to read in the tallies
self._input_set.settings.output = {'summary': True}
# Initialize the nuclides
u235 = openmc.Nuclide('U-235')
u238 = openmc.Nuclide('U-238')
pu239 = openmc.Nuclide('Pu-239')
# Initialize the filters
energy_filter = openmc.Filter(type='energy',
bins=[0.0, 0.253e-6, 1.0e-3, 1.0, 20.0])
distrib_filter = openmc.Filter(type='distribcell', bins=[60])
# Initialized the tallies
tally = openmc.Tally(name='distribcell tally')
tally.filters = [energy_filter, distrib_filter]
tally.scores = ['nu-fission', 'total']
tally.nuclides = [u235, u238, pu239]
tallies_file = openmc.Tallies([tally])
# Export tallies to file
self._input_set.tallies = tallies_file
super(TallyAggregationTestHarness, self)._build_inputs()
def get_nuclide_densities(self):
"""Return all nuclides contained in the cell and their densities
Returns
-------
nuclides : collections.OrderedDict
Dictionary whose keys are nuclide names and values are 2-tuples of
(nuclide, density)
"""
nuclides = OrderedDict()
if self.fill_type == 'material':
nuclides.update(self.fill.get_nuclide_densities())
elif self.fill_type == 'void':
pass
else:
if self._atoms is not None:
volume = self.volume
for name, atoms in self._atoms.items():
nuclide = openmc.Nuclide(name)
density = 1.0e-24 * atoms[
0] / volume # density in atoms/b-cm
nuclides[name] = (nuclide, density)
else:
raise RuntimeError(
'Volume information is needed to calculate microscopic cross '
'sections for cell {}. This can be done by running a '
'stochastic volume calculation via the '
'openmc.VolumeCalculation object'.format(self.id))
return nuclides
def get_nuclide_densities(self):
"""Return all nuclides contained in the universe
Returns
-------
nuclides : collections.OrderedDict
Dictionary whose keys are nuclide names and values are 2-tuples of
(nuclide, density)
"""
nuclides = OrderedDict()
if self._atoms is not None:
volume = self.volume
for name, atoms in self._atoms.items():
nuclide = openmc.Nuclide(name)
density = 1.0e-24 * atoms.n / volume # density in atoms/b-cm
nuclides[name] = (nuclide, density)
else:
raise RuntimeError(
'Volume information is needed to calculate microscopic cross '
f'sections for universe {self.id}. This can be done by running '
'a stochastic volume calculation via the '
'openmc.VolumeCalculation object')
return nuclides
def density_dictionary_to_openmc_mat(self, m_id):
""" Generates an OpenMC material from a cell ID and self.number_density.
Parameters
----------
m_id : int
Cell ID.
Returns
-------
openmc.Material
The OpenMC material filled with nuclides.
"""
mat = openmc.Material(material_id=m_id)
total = 0.0
for key in self.number_density[m_id]:
nuc = openmc.Nuclide(key)
if type(self.number_density[m_id][key]) is zernike.ZernikePolynomial:
nuc.poly_coeffs = self.number_density[m_id][key].openmc_form(radial_only=False)
nuc.poly_type = "zernike"
mat.add_nuclide(nuc, self.number_density[m_id][key].coeffs[0])
total += self.number_density[m_id][key].coeffs[0]
else:
mat.add_nuclide(nuc, self.number_density[m_id][key])
total += self.number_density[m_id][key]
mat.set_density('atom/cm3', total)
return mat
def _build_inputs(self):
# The summary.h5 file needs to be created to read in the tallies
self._input_set.settings.output = {'summary': True}
# Initialize the tallies file
tallies_file = openmc.Tallies()
# Initialize the nuclides
u235 = openmc.Nuclide('U-235')
u238 = openmc.Nuclide('U-238')
pu239 = openmc.Nuclide('Pu-239')
# Initialize Mesh
mesh = openmc.Mesh(mesh_id=1)
mesh.type = 'regular'
mesh.dimension = [2, 2, 2]
mesh.lower_left = [-160.0, -160.0, -183.0]
mesh.upper_right = [160.0, 160.0, 183.0]
# Initialize the filters
energy_filter = openmc.Filter(type='energy',
bins=(0.0, 0.253e-6, 1.0e-3, 1.0, 20.0))
material_filter = openmc.Filter(type='material', bins=(1, 3))
distrib_filter = openmc.Filter(type='distribcell', bins=(60))
mesh_filter = openmc.Filter(type='mesh')
mesh_filter.mesh = mesh
# Initialized the tallies
tally = openmc.Tally(name='tally 1')
tally.filters = [material_filter, energy_filter, distrib_filter]
tally.scores = ['nu-fission', 'total']
tally.nuclides = [u235, pu239]
tallies_file.append(tally)
tally = openmc.Tally(name='tally 2')
tally.filters = [energy_filter, mesh_filter]
tally.scores = ['total', 'fission']
tally.nuclides = [u238, u235]
tallies_file.append(tally)
# Export tallies to file
self._input_set.tallies = tallies_file
super(TallyArithmeticTestHarness, self)._build_inputs()
def _build_inputs(self):
mat1 = openmc.Material(material_id=1, temperature=294)
mat1.set_density('g/cm3', 4.5)
mat1.add_nuclide(openmc.Nuclide('U235'), 1.0)
materials = openmc.Materials([mat1])
materials.export_to_xml()
sphere = openmc.Sphere(surface_id=1, r=10.0, boundary_type='vacuum')
inside_sphere = openmc.Cell(cell_id=1)
inside_sphere.region = -sphere
inside_sphere.fill = mat1
root = openmc.Universe(universe_id=0)
root.add_cell(inside_sphere)
geometry = openmc.Geometry()
geometry.root_universe = root
geometry.export_to_xml()
# Create an array of different sources
x_dist = openmc.stats.Uniform(-3., 3.)
y_dist = openmc.stats.Discrete([-4., -1., 3.], [0.2, 0.3, 0.5])
z_dist = openmc.stats.Tabular([-2., 0., 2.], [0.2, 0.3, 0.2])
spatial1 = openmc.stats.CartesianIndependent(x_dist, y_dist, z_dist)
spatial2 = openmc.stats.Box([-4., -4., -4.], [4., 4., 4.])
spatial3 = openmc.stats.Point([1.2, -2.3, 0.781])
mu_dist = openmc.stats.Discrete([-1., 0., 1.], [0.5, 0.25, 0.25])
phi_dist = openmc.stats.Uniform(0., 6.28318530718)
angle1 = openmc.stats.PolarAzimuthal(mu_dist, phi_dist)
angle2 = openmc.stats.Monodirectional(reference_uvw=[0., 1., 0.])
angle3 = openmc.stats.Isotropic()
E = np.logspace(0, 7)
p = np.sin(np.linspace(0., pi))
p /= sum(np.diff(E) * p[:-1])
energy1 = openmc.stats.Maxwell(1.2895e6)
energy2 = openmc.stats.Watt(0.988e6, 2.249e-6)
energy3 = openmc.stats.Tabular(E, p, interpolation='histogram')
source1 = openmc.Source(spatial1, angle1, energy1, strength=0.5)
source2 = openmc.Source(spatial2, angle2, energy2, strength=0.3)
source3 = openmc.Source(spatial3, angle3, energy3, strength=0.2)
settings = openmc.Settings()
settings.batches = 10
settings.inactive = 5
settings.particles = 1000
settings.source = [source1, source2, source3]
settings.export_to_xml()
def _read_materials(self):
self.n_materials = self._f['n_materials'].value
# Initialize dictionary for each Material
# Keys - Material keys
# Values - Material objects
self.materials = {}
for key in self._f['materials'].keys():
if key == 'n_materials':
continue
material_id = int(key.lstrip('material '))
index = self._f['materials'][key]['index'].value
name = self._f['materials'][key]['name'].value.decode()
density = self._f['materials'][key]['atom_density'].value
nuc_densities = self._f['materials'][key]['nuclide_densities'][...]
nuclides = self._f['materials'][key]['nuclides'].value
# Create the Material
material = openmc.Material(material_id=material_id, name=name)
# Read the names of the S(a,b) tables for this Material and add them
if 'sab_names' in self._f['materials'][key]:
sab_tables = self._f['materials'][key]['sab_names'].value
for sab_table in sab_tables:
name, xs = sab_table.decode().split('.')
material.add_s_alpha_beta(name, xs)
# Set the Material's density to atom/b-cm as used by OpenMC
material.set_density(density=density, units='atom/b-cm')
# Add all nuclides to the Material
for fullname, density in zip(nuclides, nuc_densities):
fullname = fullname.decode().strip()
name, xs = fullname.split('.')
if 'nat' in name:
material.add_element(openmc.Element(name=name, xs=xs),
percent=density,
percent_type='ao')
else:
material.add_nuclide(openmc.Nuclide(name=name, xs=xs),
percent=density,
percent_type='ao')
# Add the Material to the global dictionary of all Materials
self.materials[index] = material
def generate_materials_xml(self):
""" Creates materials.xml from self.number_density.
Iterates through each cell in self.number_density and creates the
openmc material object to generate materials.xml.
"""
openmc.reset_auto_material_id()
mat = []
i = 0
for key_mat in self.number_density:
mat.append(openmc.Material(material_id=key_mat))
mat_name = self.mat_name[key_mat]
total = 0.0
for key_nuc in self.number_density[key_mat]:
# Check if in participating nuclides
if key_nuc in self.participating_nuclides:
nuc = openmc.Nuclide(key_nuc,
xs=self.materials.library[mat_name])
if type(self.number_density[key_mat][key_nuc]) is zernike.ZernikePolynomial:
nuc.poly_coeffs = self.number_density[key_mat][key_nuc].openmc_form(radial_only=False)
self.total_number[key_mat][key_nuc] = self.number_density[key_mat][key_nuc] * self.volume[key_mat]
nuc.poly_type = "zernike"
mat[i].add_nuclide(nuc,
self.number_density[key_mat][key_nuc].coeffs[0])
total += self.number_density[key_mat][key_nuc].coeffs[0]
else:
mat[i].add_nuclide(nuc,
self.number_density[key_mat][key_nuc])
total += self.number_density[key_mat][key_nuc]
mat[i].set_density('atom/cm3', total)
if mat_name in self.materials.sab:
mat[i].add_s_alpha_beta(self.materials.sab[mat_name],
self.materials.library_sab[mat_name])
i += 1
materials_file = openmc.Materials()
materials_file.add_materials(mat)
materials_file.export_to_xml()
def expand(self):
"""Expand natural element into its naturally-occurring isotopes.
Returns
-------
isotopes : list
Naturally-occurring isotopes of the element. Each item of the list
is a tuple consisting of an openmc.Nuclide instance and the natural
abundance of the isotope.
"""
isotopes = []
for isotope, abundance in sorted(natural_abundance.items()):
if isotope.startswith(self.name + '-'):
nuc = openmc.Nuclide(isotope, self.xs)
isotopes.append((nuc, abundance))
return isotopes
def remove_nuclide(self, nuclide):
"""Remove a nuclide from the material
Parameters
----------
nuclide : openmc.Nuclide
Nuclide to remove
"""
cv.check_type('nuclide', nuclide, string_types + (openmc.Nuclide, ))
if isinstance(nuclide, string_types):
nuclide = openmc.Nuclide(nuclide)
# If the Material contains the Nuclide, delete it
for nuc in self._nuclides:
if nuclide == nuc[0]:
self._nuclides.remove(nuc)
break
def add_nuclide(self, nuclide, percent, percent_type='ao'):
"""Add a nuclide to the material
Parameters
----------
nuclide : str or openmc.Nuclide
Nuclide to add
percent : float
Atom or weight percent
percent_type : {'ao', 'wo'}
'ao' for atom percent and 'wo' for weight percent
"""
if self._macroscopic is not None:
msg = 'Unable to add a Nuclide to Material ID="{0}" as a ' \
'macroscopic data-set has already been added'.format(self._id)
raise ValueError(msg)
if not isinstance(nuclide, (openmc.Nuclide, basestring)):
msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \
'non-Nuclide value "{1}"'.format(self._id, nuclide)
raise ValueError(msg)
elif not isinstance(percent, Real):
msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \
'non-floating point value "{1}"'.format(self._id, percent)
raise ValueError(msg)
elif percent_type not in ['ao', 'wo', 'at/g-cm']:
msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \
'percent type "{1}"'.format(self._id, percent_type)
raise ValueError(msg)
if isinstance(nuclide, openmc.Nuclide):
# Copy this Nuclide to separate it from the Nuclide in
# other Materials
nuclide = deepcopy(nuclide)
else:
nuclide = openmc.Nuclide(nuclide)
self._nuclides.append((nuclide, percent, percent_type))
def add_nuclide(self, nuclide, percent, percent_type='ao'):
"""Add a nuclide to the material
Parameters
----------
nuclide : str or openmc.nuclide.Nuclide
Nuclide to add
percent : float
Atom or weight percent
percent_type : str
'ao' for atom percent and 'wo' for weight percent
"""
if not isinstance(nuclide, (openmc.Nuclide, str)):
msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \
'non-Nuclide value "{1}"'.format(self._id, nuclide)
raise ValueError(msg)
elif not isinstance(percent, Real):
msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \
'non-floating point value "{1}"'.format(self._id, percent)
raise ValueError(msg)
elif percent_type not in ['ao', 'wo', 'at/g-cm']:
msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \
'percent type "{1}"'.format(self._id, percent_type)
raise ValueError(msg)
if isinstance(nuclide, openmc.Nuclide):
# Copy this Nuclide to separate it from the Nuclide in
# other Materials
nuclide = deepcopy(nuclide)
else:
nuclide = openmc.Nuclide(nuclide)
self._nuclides[nuclide._name] = (nuclide, percent, percent_type)
###############################################################################
# Simulation Input File Parameters
###############################################################################
# OpenMC simulation parameters
batches = 100
inactive = 10
particles = 100000
###############################################################################
# Exporting to OpenMC materials.xml File
###############################################################################
# Instantiate some Nuclides
h1 = openmc.Nuclide('H-1')
he4 = openmc.Nuclide('He-4')
b10 = openmc.Nuclide('B-10')
b11 = openmc.Nuclide('B-11')
o16 = openmc.Nuclide('O-16')
fe56 = openmc.Nuclide('Fe-56')
zr90 = openmc.Nuclide('Zr-90')
u235 = openmc.Nuclide('U-235')
u238 = openmc.Nuclide('U-238')
# Instantiate some Materials and register the appropriate Nuclides
uo2 = openmc.Material(name='UO2 Fuel')
uo2.set_density('g/cm3', 10.29769)
uo2.add_nuclide(u235, 5.5815e-4)
uo2.add_nuclide(u238, 2.2408e-2)
uo2.add_nuclide(o16, 4.5829e-2)
def _build_inputs(self):
# Materials
mat = openmc.Material(material_id=1)
mat.set_density('g/cc', 1.0)
mat.add_nuclide('U-238', 1.0)
mat.add_nuclide('U-235', 0.02)
mat.add_nuclide('Pu-239', 0.02)
mat.add_nuclide('H-1', 20.0)
mats_file = openmc.Materials([mat])
mats_file.default_xs = '71c'
mats_file.export_to_xml()
# Geometry
dumb_surface = openmc.XPlane(x0=100)
dumb_surface.boundary_type = 'reflective'
c1 = openmc.Cell(cell_id=1)
c1.fill = mat
c1.region = -dumb_surface
root_univ = openmc.Universe(universe_id=0)
root_univ.add_cell(c1)
geometry = openmc.Geometry()
geometry.root_universe = root_univ
geometry.export_to_xml()
# Settings
nuclide = openmc.Nuclide('U-238', '71c')
nuclide.zaid = 92238
res_scatt_dbrc = openmc.ResonanceScattering()
res_scatt_dbrc.nuclide = nuclide
res_scatt_dbrc.nuclide_0K = nuclide # This is a bad idea! Just for tests
res_scatt_dbrc.method = 'DBRC'
res_scatt_dbrc.E_min = 1e-6
res_scatt_dbrc.E_max = 210e-6
nuclide = openmc.Nuclide('U-235', '71c')
nuclide.zaid = 92235
res_scatt_wcm = openmc.ResonanceScattering()
res_scatt_wcm.nuclide = nuclide
res_scatt_wcm.nuclide_0K = nuclide
res_scatt_wcm.method = 'WCM'
res_scatt_wcm.E_min = 1e-6
res_scatt_wcm.E_max = 210e-6
nuclide = openmc.Nuclide('Pu-239', '71c')
nuclide.zaid = 94239
res_scatt_ares = openmc.ResonanceScattering()
res_scatt_ares.nuclide = nuclide
res_scatt_ares.nuclide_0K = nuclide
res_scatt_ares.method = 'ARES'
res_scatt_ares.E_min = 1e-6
res_scatt_ares.E_max = 210e-6
sets_file = openmc.Settings()
sets_file.batches = 10
sets_file.inactive = 5
sets_file.particles = 1000
sets_file.source = openmc.source.Source(
space=openmc.stats.Box([-4, -4, -4], [4, 4, 4]))
sets_file.resonance_scattering = [
res_scatt_dbrc, res_scatt_wcm, res_scatt_ares
]
sets_file.export_to_xml()
mgdata = lib.get_xsdata(ru, "U235-fission", nuclide="U235")
micro_xs = mgdata.fission[
0] / 1712E-6 # TODO: Correctly calculate number density
efilt = sp.filters[1]
etal = sp.get_tally(scores=["flux"], filters=[efilt])
talvals = np.array(etal.mean).squeeze()
stdvals = np.array(etal.std_dev).squeeze()
print(talvals)
print(stdvals)
print(efilt.bins)
bins = efilt.bins[:-1]
fig = openmc.plot_xs(openmc.Nuclide("U235"), ['fission'], temperature=600)
#fig = openmc.plot_xs(openmc.Nuclide("U238"), ['capture'], temperature=600)
ax = fig.gca()
ax.step(bins, talvals, label="$\phi(E)$", color="blue")
#ax.step(bins, talvals+stdvals, color="salmon", label="$\pm\sigma$")
#ax.step(bins, talvals-stdvals, color="salmon")
#ax.step([0, 2E7], [micro_xs]*2, color="red")
ax.set_xscale("log")
ax.set_yscale("log")
ax.set_xlabel("$E$")
ax.set_ylabel("$\phi(E)$")
plt.legend(["U235 fission", "$\phi(E)$", "$\sigma_g(E)$"])
plt.title("Light Water")
plt.show()
def tallies(self):
if self.tallies_present and not self._tallies_read:
# Read the number of tallies
tallies_group = self._f['tallies']
n_tallies = tallies_group.attrs['n_tallies']
# Read a list of the IDs for each Tally
if n_tallies > 0:
# Tally user-defined IDs
tally_ids = tallies_group.attrs['ids']
else:
tally_ids = []
# Ignore warnings about duplicate IDs
with warnings.catch_warnings():
warnings.simplefilter('ignore', openmc.IDWarning)
# Iterate over all tallies
for tally_id in tally_ids:
group = tallies_group['tally {}'.format(tally_id)]
# Read the number of realizations
n_realizations = group['n_realizations'].value
# Create Tally object and assign basic properties
tally = openmc.Tally(tally_id)
tally._sp_filename = self._f.filename
tally.name = group['name'].value.decode(
) if 'name' in group else ''
tally.estimator = group['estimator'].value.decode()
tally.num_realizations = n_realizations
# Read derivative information.
if 'derivative' in group:
deriv_id = group['derivative'].value
tally.derivative = self.tally_derivatives[deriv_id]
# Read all filters
n_filters = group['n_filters'].value
if n_filters > 0:
filter_ids = group['filters'].value
filters_group = self._f['tallies/filters']
for filter_id in filter_ids:
filter_group = filters_group['filter {}'.format(
filter_id)]
new_filter = openmc.Filter.from_hdf5(
filter_group, meshes=self.meshes)
tally.filters.append(new_filter)
# Read nuclide bins
nuclide_names = group['nuclides'].value
# Add all nuclides to the Tally
for name in nuclide_names:
nuclide = openmc.Nuclide(name.decode().strip())
tally.nuclides.append(nuclide)
scores = group['score_bins'].value
n_score_bins = group['n_score_bins'].value
# Compute and set the filter strides
for i in range(n_filters):
tally_filter = tally.filters[i]
tally_filter.stride = n_score_bins * len(nuclide_names)
for j in range(i + 1, n_filters):
tally_filter.stride *= tally.filters[j].num_bins
# Read scattering moment order strings (e.g., P3, Y1,2, etc.)
moments = group['moment_orders'].value
# Add the scores to the Tally
for j, score in enumerate(scores):
score = score.decode()
# If this is a moment, use generic moment order
pattern = r'-n$|-pn$|-yn$'
score = re.sub(pattern, '-' + moments[j].decode(),
score)
tally.scores.append(score)
# Add Tally to the global dictionary of all Tallies
tally.sparse = self.sparse
self._tallies[tally_id] = tally
self._tallies_read = True
return self._tallies
def link_with_summary(self, summary):
"""Links Tallies and Filters with Summary model information.
This routine retrieves model information (materials, geometry) from a
Summary object populated with an HDF5 'summary.h5' file and inserts it
into the Tally objects. This can be helpful when viewing and
manipulating large scale Tally data. Note that it is necessary to link
against a summary to populate the Tallies with any user-specified "name"
XML tags.
Parameters
----------
summary : Summary
A Summary object.
Raises
------
ValueError
An error when the argument passed to the 'summary' parameter is not
an openmc.Summary object.
"""
if not isinstance(summary, openmc.summary.Summary):
msg = 'Unable to link statepoint with "{0}" which ' \
'is not a Summary object'.format(summary)
raise ValueError(msg)
for tally_id, tally in self.tallies.items():
# Get the Tally name from the summary file
tally.name = summary.tallies[tally_id].name
tally.with_summary = True
nuclide_zaids = copy.deepcopy(tally.nuclides)
for nuclide_zaid in nuclide_zaids:
tally.remove_nuclide(nuclide_zaid)
if nuclide_zaid == -1:
tally.add_nuclide(openmc.Nuclide('total'))
else:
tally.add_nuclide(summary.nuclides[nuclide_zaid])
for filter in tally.filters:
if filter.type == 'surface':
surface_ids = []
for bin in filter.bins:
surface_ids.append(summary.surfaces[bin].id)
filter.bins = surface_ids
if filter.type in ['cell', 'distribcell']:
distribcell_ids = []
for bin in filter.bins:
distribcell_ids.append(summary.cells[bin].id)
filter.bins = distribcell_ids
if filter.type == 'universe':
universe_ids = []
for bin in filter.bins:
universe_ids.append(summary.universes[bin].id)
filter.bins = universe_ids
if filter.type == 'material':
material_ids = []
for bin in filter.bins:
material_ids.append(summary.materials[bin].id)
filter.bins = material_ids
self._with_summary = True
def __init__(self, boron_ppm=c.nominalBoronPPM, is_symmetric=False, is_2d=False):
""" We build the entire geometry in memory in the constructor """
# TODO: make the control rod bank insertion heights attributes
# Setup the materials
self.mats = openmc_materials(ppm=boron_ppm)
self.pincells = Pincells(self.mats)
self.assemblies = Assemblies(self.pincells, self.mats)
self.baffle = Baffle(self.assemblies, self.mats)
self.core = Core(self.pincells, self.assemblies, self.baffle, is_symmetric=is_symmetric)
self.main_universe = UniverseZero(self.core, self.mats, is_2d=is_2d)
self.openmc_geometry = openmc.Geometry(self.main_universe)
self.settings_batches = 10
self.settings_inactive = 5
self.settings_particles = 1000
baffle_flat = 7.5*c.latticePitch
if is_2d:
self.settings_sourcebox = [-baffle_flat, -baffle_flat, c.struct_LowestExtent_2d,
baffle_flat, baffle_flat, c.struct_HighestExtent_2d]
else:
self.settings_sourcebox = [-baffle_flat, -baffle_flat, c.fuel_Rod_bot,
baffle_flat, baffle_flat, c.fuel_Rod_top]
self.settings_output_tallies = False
self.settings_summary = True
self.settings_output_distribmats = False
self.tally_meshes = []
self.tallies = []
self.dd_mesh_dimension = None
self.dd_mesh_lower_left = None
self.dd_mesh_upper_right = None
self.dd_nodemap = None
self.dd_truncate = False
self.dd_interactions = False
# These were not chosen with any application in mind: tailor them to your needs!
self.depletion_nuclides = [
'Ag107', 'Ag109', 'Ag111', 'Am241', 'Am243', 'As75',
'Au197', 'Ba134', 'Ba135', 'Ba136', 'Ba137', 'Ba138',
'Ba140', 'Br79', 'Br81', 'Cd108', 'Cd110', 'Cd111',
'Cd112', 'Cd113', 'Cd114', 'Cd116', 'Ce140',
'Ce141', 'Ce142', 'Ce143', 'Ce144', 'Cm244', 'Co59',
'Cs133', 'Cs134', 'Cs135', 'Cs136', 'Cs137', 'Dy160',
'Dy161', 'Dy162', 'Dy163', 'Dy164', 'Er166', 'Er167',
'Eu151', 'Eu152', 'Eu153', 'Eu154', 'Eu155', 'Eu156',
'Eu157', 'Gd154', 'Gd155', 'Gd156', 'Gd157', 'Gd158',
'Gd160', 'Ge72', 'Ge73', 'Ge74', 'Ge76', 'Ho165',
'I127', 'I129', 'I130', 'I131', 'I135', 'In113',
'In115', 'Kr80', 'Kr82', 'Kr83', 'Kr84', 'Kr85',
'Kr86', 'La139', 'La140', 'Lu175', 'Lu176', 'Mo100',
'Mo94', 'Mo95', 'Mo96', 'Mo97', 'Mo98', 'Mo99',
'Nb93', 'Nb94', 'Nb95', 'Nd142', 'Nd143', 'Nd144',
'Nd145', 'Nd146', 'Nd147', 'Nd148', 'Nd150', 'Np237',
'Pa233', 'Pd104', 'Pd105', 'Pd106', 'Pd107', 'Pd108',
'Pd110', 'Pm147', 'Pm148', 'Pm149', 'Pm151', 'Pr141',
'Pr142', 'Pr143', 'Pu238', 'Pu239', 'Pu240', 'Pu241',
'Pu242', 'Rb85', 'Rb86', 'Rb87', 'Re185', 'Re187',
'Rh103', 'Rh105', 'Ru100', 'Ru101', 'Ru102', 'Ru103',
'Ru104', 'Ru105', 'Ru106', 'Ru99', 'Sb121', 'Sb123',
'Sb124', 'Sb125', 'Sb126', 'Se76', 'Se77', 'Se78',
'Se80', 'Se82', 'Sm147', 'Sm148', 'Sm149', 'Sm150',
'Sm151', 'Sm152', 'Sm153', 'Sm154', 'Sn115', 'Sn116',
'Sn117', 'Sn118', 'Sn119', 'Sn120', 'Sn122', 'Sn123',
'Sn124', 'Sn125', 'Sn126', 'Sr86', 'Sr87', 'Sr88',
'Sr89', 'Sr90', 'Ta181', 'Tb159', 'Tb160', 'Tc99',
'Te122', 'Te123', 'Te124', 'Te125', 'Te126',
'Te128', 'Te130', 'Te132', 'Th232', 'U233',
'U234', 'U235', 'U236', 'U238', 'W182', 'W183',
'W184', 'W186', 'Xe128', 'Xe129', 'Xe130', 'Xe131',
'Xe132', 'Xe133', 'Xe134', 'Xe135', 'Xe136', 'Y89',
'Y90', 'Y91', 'Zr90', 'Zr91', 'Zr92', 'Zr93', 'Zr94',
'Zr95', 'Zr96']
nuclides = []
for nuc in self.depletion_nuclides:
nuclides.append(openmc.Nuclide(nuc))
self.depletion_nuclides = nuclides
###############################################################################
# Simulation Input File Parameters
###############################################################################
# OpenMC simulation parameters
batches = 20
inactive = 10
particles = 10000
###############################################################################
# Exporting to OpenMC materials.xml File
###############################################################################
# Instantiate some Nuclides
h1 = openmc.Nuclide('H-1')
o16 = openmc.Nuclide('O-16')
u235 = openmc.Nuclide('U-235')
# Instantiate some Materials and register the appropriate Nuclides
fuel = openmc.Material(material_id=1, name='fuel')
fuel.set_density('g/cc', 4.5)
fuel.add_nuclide(u235, 1.)
moderator = openmc.Material(material_id=2, name='moderator')
moderator.set_density('g/cc', 1.0)
moderator.add_nuclide(h1, 2.)
moderator.add_nuclide(o16, 1.)
moderator.add_s_alpha_beta('HH2O', '71t')
# Instantiate a MaterialsFile, register all Materials, and export to XML
###############################################################################
# Simulation Input File Parameters
###############################################################################
# OpenMC simulation parameters
batches = 100
inactive = 10
particles = 10000
###############################################################################
# Exporting to OpenMC materials.xml File
###############################################################################
# Instantiate some Nuclides
h1 = openmc.Nuclide('H-1')
b10 = openmc.Nuclide('B-10')
b11 = openmc.Nuclide('B-11')
o16 = openmc.Nuclide('O-16')
u235 = openmc.Nuclide('U-235')
u238 = openmc.Nuclide('U-238')
zr90 = openmc.Nuclide('Zr-90')
zr91 = openmc.Nuclide('Zr-91')
zr92 = openmc.Nuclide('Zr-92')
zr94 = openmc.Nuclide('Zr-94')
zr96 = openmc.Nuclide('Zr-96')
# Instantiate some Materials and register the appropriate Nuclides
fuel = openmc.Material(name='3.1 w/o enriched UO2')
fuel.set_density('sum')
fuel.add_nuclide(
###############################################################################
# Simulation Input File Parameters
###############################################################################
# OpenMC simulation parameters
batches = 100
inactive = 10
particles = 1000
###############################################################################
# Exporting to OpenMC materials.xml File
###############################################################################
# Instantiate some Nuclides
h1 = openmc.Nuclide('H-1')
h2 = openmc.Nuclide('H-2')
he4 = openmc.Nuclide('He-4')
b10 = openmc.Nuclide('B-10')
b11 = openmc.Nuclide('B-11')
o16 = openmc.Nuclide('O-16')
o17 = openmc.Nuclide('O-17')
cr50 = openmc.Nuclide('Cr-50')
cr52 = openmc.Nuclide('Cr-52')
cr53 = openmc.Nuclide('Cr-53')
cr54 = openmc.Nuclide('Cr-54')
fe54 = openmc.Nuclide('Fe-54')
fe56 = openmc.Nuclide('Fe-56')
fe57 = openmc.Nuclide('Fe-57')
fe58 = openmc.Nuclide('Fe-58')
zr90 = openmc.Nuclide('Zr-90')
def tallies(self):
if not self._tallies_read:
# Initialize dictionary for tallies
self._tallies = {}
# Read the number of tallies
n_tallies = self._f['tallies/n_tallies'].value
# Read a list of the IDs for each Tally
if n_tallies > 0:
# OpenMC Tally IDs (redefined internally from user definitions)
tally_keys = self._f['tallies/keys'].value
else:
tally_keys = []
base = 'tallies/tally '
# Iterate over all Tallies
for tally_key in tally_keys:
# Read the Tally size specifications
n_realizations = \
self._f['{0}{1}/n_realizations'.format(base, tally_key)].value
# Create Tally object and assign basic properties
tally = openmc.Tally(tally_id=tally_key)
tally._sp_filename = self._f.filename
tally.estimator = self._f['{0}{1}/estimator'.format(
base, tally_key)].value.decode()
tally.num_realizations = n_realizations
# Read the number of Filters
n_filters = \
self._f['{0}{1}/n_filters'.format(base, tally_key)].value
subbase = '{0}{1}/filter '.format(base, tally_key)
# Initialize all Filters
for j in range(1, n_filters + 1):
# Read the Filter type
filter_type = \
self._f['{0}{1}/type'.format(subbase, j)].value.decode()
n_bins = self._f['{0}{1}/n_bins'.format(subbase, j)].value
# Read the bin values
bins = self._f['{0}{1}/bins'.format(subbase, j)].value
# Create Filter object
new_filter = openmc.Filter(filter_type, bins)
new_filter.num_bins = n_bins
if filter_type == 'mesh':
mesh_ids = self._f['tallies/meshes/ids'].value
mesh_keys = self._f['tallies/meshes/keys'].value
key = mesh_keys[mesh_ids == bins][0]
new_filter.mesh = self.meshes[key]
# Add Filter to the Tally
tally.filters.append(new_filter)
# Read Nuclide bins
nuclide_names = \
self._f['{0}{1}/nuclides'.format(base, tally_key)].value
# Add all Nuclides to the Tally
for name in nuclide_names:
nuclide = openmc.Nuclide(name.decode().strip())
tally.nuclides.append(nuclide)
scores = self._f['{0}{1}/score_bins'.format(base,
tally_key)].value
n_score_bins = self._f['{0}{1}/n_score_bins'.format(
base, tally_key)].value
# Compute and set the filter strides
for i in range(n_filters):
tally_filter = tally.filters[i]
tally_filter.stride = n_score_bins * len(nuclide_names)
for j in range(i + 1, n_filters):
tally_filter.stride *= tally.filters[j].num_bins
# Read scattering moment order strings (e.g., P3, Y1,2, etc.)
moments = self._f['{0}{1}/moment_orders'.format(
base, tally_key)].value
# Add the scores to the Tally
for j, score in enumerate(scores):
score = score.decode()
# If this is a moment, use generic moment order
pattern = r'-n$|-pn$|-yn$'
score = re.sub(pattern, '-' + moments[j].decode(), score)
tally.scores.append(score)
# Add Tally to the global dictionary of all Tallies
tally.sparse = self.sparse
self._tallies[tally_key] = tally
self._tallies_read = True
return self._tallies
def expand(self,
percent,
percent_type,
enrichment=None,
cross_sections=None):
"""Expand natural element into its naturally-occurring isotopes.
An optional cross_sections argument or the OPENMC_CROSS_SECTIONS
environment variable is used to specify a cross_sections.xml file.
If the cross_sections.xml file is found, the element is expanded only
into the isotopes/nuclides present in cross_sections.xml. If no
cross_sections.xml file is found, the element is expanded based on its
naturally occurring isotopes.
Parameters
----------
percent : float
Atom or weight percent
percent_type : {'ao', 'wo'}
'ao' for atom percent and 'wo' for weight percent
enrichment : float, optional
Enrichment for U235 in weight percent. For example, input 4.95 for
4.95 weight percent enriched U. Default is None
(natural composition).
cross_sections : str, optional
Location of cross_sections.xml file. Default is None.
Returns
-------
isotopes : list
Naturally-occurring isotopes of the element. Each item of the list
is a tuple consisting of an openmc.Nuclide instance and the natural
abundance of the isotope.
"""
# Get the nuclides present in nature
natural_nuclides = set()
for nuclide in sorted(NATURAL_ABUNDANCE.keys()):
if re.match(r'{}\d+'.format(self.name), nuclide):
natural_nuclides.add(nuclide)
# Create dict to store the expanded nuclides and abundances
abundances = OrderedDict()
# If cross_sections is None, get the cross sections from the
# OPENMC_CROSS_SECTIONS environment variable
if cross_sections is None:
cross_sections = os.environ.get('OPENMC_CROSS_SECTIONS')
# If a cross_sections library is present, check natural nuclides
# against the nuclides in the library
if cross_sections is not None:
library_nuclides = set()
tree = ET.parse(cross_sections)
root = tree.getroot()
for child in root:
nuclide = child.attrib['materials']
if re.match(r'{}\d+'.format(self.name), nuclide) and \
'_m' not in nuclide:
library_nuclides.add(nuclide)
# Get a set of the mutual and absent nuclides. Convert to lists
# and sort to avoid different ordering between Python 2 and 3.
mutual_nuclides = natural_nuclides.intersection(library_nuclides)
absent_nuclides = natural_nuclides.difference(mutual_nuclides)
mutual_nuclides = sorted(list(mutual_nuclides))
absent_nuclides = sorted(list(absent_nuclides))
# If all natural nuclides are present in the library, expand element
# using all natural nuclides
if len(absent_nuclides) == 0:
for nuclide in mutual_nuclides:
abundances[nuclide] = NATURAL_ABUNDANCE[nuclide]
# If no natural elements are present in the library, check if the
# 0 nuclide is present. If so, set the abundance to 1 for this
# nuclide. Else, raise an error.
elif len(mutual_nuclides) == 0:
nuclide_0 = self.name + '0'
if nuclide_0 in library_nuclides:
abundances[nuclide_0] = 1.0
else:
msg = 'Unable to expand element {0} because the cross '\
'section library provided does not contain any of '\
'the natural isotopes for that element.'\
.format(self.name)
raise ValueError(msg)
# If some, but not all, natural nuclides are in the library, add
# the mutual nuclides. For the absent nuclides, add them based on
# our knowledge of the common cross section libraries
# (ENDF, JEFF, and JENDL)
else:
# Add the mutual isotopes
for nuclide in mutual_nuclides:
abundances[nuclide] = NATURAL_ABUNDANCE[nuclide]
# Adjust the abundances for the absent nuclides
for nuclide in absent_nuclides:
if nuclide in ['O17', 'O18'] and 'O16' in mutual_nuclides:
abundances['O16'] += NATURAL_ABUNDANCE[nuclide]
elif nuclide == 'Ta180' and 'Ta181' in mutual_nuclides:
abundances['Ta181'] += NATURAL_ABUNDANCE[nuclide]
elif nuclide == 'W180' and 'W182' in mutual_nuclides:
abundances['W182'] += NATURAL_ABUNDANCE[nuclide]
else:
msg = 'Unsure how to partition natural abundance of ' \
'isotope {0} into other natural isotopes of ' \
'this element that are present in the cross ' \
'section library provided. Consider adding ' \
'the isotopes of this element individually.'
raise ValueError(msg)
# If a cross_section library is not present, expand the element into
# its natural nuclides
else:
for nuclide in natural_nuclides:
abundances[nuclide] = NATURAL_ABUNDANCE[nuclide]
# Modify mole fractions if enrichment provided
if enrichment is not None:
# Calculate the mass fractions of isotopes
abundances['U234'] = 0.008 * enrichment
abundances['U235'] = enrichment
abundances['U238'] = 100.0 - 1.008 * enrichment
# Convert the mass fractions to mole fractions
for nuclide in abundances.keys():
abundances[nuclide] /= atomic_mass(nuclide)
# Normalize the mole fractions to one
sum_abundances = sum(abundances.values())
for nuclide in abundances.keys():
abundances[nuclide] /= sum_abundances
# Compute the ratio of the nuclide atomic masses to the element
# atomic mass
if percent_type == 'wo':
# Compute the element atomic mass
element_am = 0.
for nuclide in abundances.keys():
element_am += atomic_mass(nuclide) * abundances[nuclide]
# Convert the molar fractions to mass fractions
for nuclide in abundances.keys():
abundances[nuclide] *= atomic_mass(nuclide) / element_am
# Normalize the mass fractions to one
sum_abundances = sum(abundances.values())
for nuclide in abundances.keys():
abundances[nuclide] /= sum_abundances
# Create a list of the isotopes in this element
isotopes = []
for nuclide, abundance in abundances.items():
nuc = openmc.Nuclide(nuclide)
nuc.scattering = self.scattering
isotopes.append((nuc, percent * abundance, percent_type))
return isotopes
###############################################################################
# Simulation Input File Parameters
###############################################################################
# OpenMC simulation parameters
batches = 500
inactive = 10
particles = 10000
###############################################################################
# Exporting to OpenMC materials.xml File
###############################################################################
# Instantiate a Nuclides
u235 = openmc.Nuclide('U-235')
# Instantiate a Material and register the Nuclide
fuel = openmc.Material(material_id=1, name='fuel')
fuel.set_density('g/cc', 4.5)
fuel.add_nuclide(u235, 1.)
# Instantiate a MaterialsFile, register Material, and export to XML
materials_file = openmc.MaterialsFile()
materials_file.default_xs = '71c'
materials_file.add_material(fuel)
materials_file.export_to_xml()
###############################################################################
# Exporting to OpenMC geometry.xml File
def tallies(self):
if self.tallies_present and not self._tallies_read:
# Read the number of tallies
tallies_group = self._f['tallies']
n_tallies = tallies_group.attrs['n_tallies']
# Read a list of the IDs for each Tally
if n_tallies > 0:
# Tally user-defined IDs
tally_ids = tallies_group.attrs['ids']
else:
tally_ids = []
# Ignore warnings about duplicate IDs
with warnings.catch_warnings():
warnings.simplefilter('ignore', openmc.IDWarning)
# Iterate over all tallies
for tally_id in tally_ids:
group = tallies_group['tally {}'.format(tally_id)]
# Check if tally is internal and therefore has no data
if group.attrs.get("internal"):
continue
# Create Tally object and assign basic properties
tally = openmc.Tally(tally_id)
tally._sp_filename = self._f.filename
tally.name = group['name'][(
)].decode() if 'name' in group else ''
# Read the number of realizations
n_realizations = group['n_realizations'][()]
tally.estimator = group['estimator'][()].decode()
tally.num_realizations = n_realizations
# Read derivative information.
if 'derivative' in group:
deriv_id = group['derivative'][()]
tally.derivative = self.tally_derivatives[deriv_id]
# Read all filters
n_filters = group['n_filters'][()]
if n_filters > 0:
filter_ids = group['filters'][()]
filters_group = self._f['tallies/filters']
for filter_id in filter_ids:
filter_group = filters_group['filter {}'.format(
filter_id)]
new_filter = openmc.Filter.from_hdf5(
filter_group, meshes=self.meshes)
tally.filters.append(new_filter)
# Read nuclide bins
nuclide_names = group['nuclides'][()]
# Add all nuclides to the Tally
for name in nuclide_names:
nuclide = openmc.Nuclide(name.decode().strip())
tally.nuclides.append(nuclide)
scores = group['score_bins'][()]
n_score_bins = group['n_score_bins'][()]
# Add the scores to the Tally
for j, score in enumerate(scores):
score = score.decode()
tally.scores.append(score)
# Add Tally to the global dictionary of all Tallies
tally.sparse = self.sparse
self._tallies[tally_id] = tally
self._tallies_read = True
return self._tallies
def slab_mg(reps=None, as_macro=True):
"""Create a one-group, 1D slab model.
Parameters
----------
reps : list, optional
List of angular representations. Each item corresponds to materials and
dictates the angular representation of the multi-group cross
sections---isotropic ('iso') or angle-dependent ('ang'), and if Legendre
scattering or tabular scattering ('mu') is used. Thus, items can be
'ang', 'ang_mu', 'iso', or 'iso_mu'.
as_macro : bool, optional
Whether :class:`openmc.Macroscopic` is used
Returns
-------
model : openmc.model.Model
One-group, 1D slab model
"""
model = openmc.model.Model()
# Define materials needed for 1D/1G slab problem
mat_names = ['uo2', 'clad', 'lwtr']
mgxs_reps = ['ang', 'ang_mu', 'iso', 'iso_mu']
if reps is None:
reps = mgxs_reps
xs = []
i = 0
for mat in mat_names:
for rep in reps:
i += 1
if as_macro:
xs.append(openmc.Macroscopic(mat + '_' + rep))
m = openmc.Material(name=str(i))
m.set_density('macro', 1.)
m.add_macroscopic(xs[-1])
else:
xs.append(openmc.Nuclide(mat + '_' + rep))
m = openmc.Material(name=str(i))
m.set_density('atom/b-cm', 1.)
m.add_nuclide(xs[-1].name, 1.0, 'ao')
model.materials.append(m)
# Define the materials file
model.xs_data = xs
model.materials.cross_sections = "../1d_mgxs.h5"
# Define surfaces.
# Assembly/Problem Boundary
left = openmc.XPlane(x0=0.0, boundary_type='reflective')
right = openmc.XPlane(x0=10.0, boundary_type='reflective')
bottom = openmc.YPlane(y0=0.0, boundary_type='reflective')
top = openmc.YPlane(y0=10.0, boundary_type='reflective')
# for each material add a plane
planes = [openmc.ZPlane(z0=0.0, boundary_type='reflective')]
dz = round(5. / float(len(model.materials)), 4)
for i in range(len(model.materials) - 1):
planes.append(openmc.ZPlane(z0=dz * float(i + 1)))
planes.append(openmc.ZPlane(z0=5.0, boundary_type='reflective'))
# Define cells for each material
model.geometry.root_universe = openmc.Universe(name='root universe')
xy = +left & -right & +bottom & -top
for i, mat in enumerate(model.materials):
c = openmc.Cell(fill=mat, region=xy & +planes[i] & -planes[i + 1])
model.geometry.root_universe.add_cell(c)
model.settings.batches = 10
model.settings.inactive = 5
model.settings.particles = 100
model.settings.source = openmc.Source(space=openmc.stats.Box(
[0.0, 0.0, 0.0], [10.0, 10.0, 5.]))
model.settings.energy_mode = "multi-group"
plot = openmc.Plot()
plot.filename = 'mat'
plot.origin = (5.0, 5.0, 2.5)
plot.width = (2.5, 2.5)
plot.basis = 'xz'
plot.pixels = (3000, 3000)
plot.color_by = 'material'
model.plots.append(plot)
return model
