def hexfunction(pitch, pack_frac):
settings = openmc.Settings()
# Set high tolerance to allow use of lower temperature xs
settings.temperature['tolerance'] = 1000
settings.temperature['method'] = 'nearest'
settings.temperature['multipole'] = True
settings.cutoff = {'energy': 1e-8} #energy cutoff in eV
#############################
### MATERIALS ###
#############################
mat_list = []
enrichment = 20.0
uo2 = openmc.Material(1, "uo2")
uo2.add_element('U', 1.0, enrichment=enrichment)
uo2.add_element('O', 2.0)
uo2.set_density('g/cm3', 10.97)
uo2.temperature = 900 #kelvin
mat_list.append(uo2)
graphite = openmc.Material(2, "graphite")
graphite.set_density('g/cm3', 1.1995)
graphite.add_element('C', 1.0)
graphite.add_s_alpha_beta('c_Graphite')
graphite.temperature = 900 #kelvin
mat_list.append(graphite)
# sodium = openmc.Material(3, "sodium")
sodium = openmc.Material()
sodium.set_density('g/cm3', 0.8017) # 900 K
sodium.add_element('Na', 1.0)
# sodium.add_s_alpha_beta('c_Graphite')
sodium.temperature = 900 #kelvin
mat_list.append(sodium)
# naoh = openmc.Material(6, "naoh")
naoh = openmc.Material()
naoh.set_density('g/cm3', 1.5) # 900 K
naoh.add_element('Na', 1.0)
naoh.add_element('O', 1.0)
naoh.add_element('H', 1.0)
# sodium.add_s_alpha_beta('c_Graphite')
naoh.temperature = 900 #kelvin
mat_list.append(naoh)
# TRISO Materials
fuel = openmc.Material(name='Fuel')
fuel.set_density('g/cm3', 10.5)
# fuel.add_nuclide('U235', 4.6716e-02)
fuel.add_nuclide('U235', 0.0667372)
# fuel.add_nuclide('U238', 2.8697e-01)
fuel.add_nuclide('U238', 0.2669488)
fuel.add_nuclide('O16', 5.0000e-01)
fuel.add_element('C', 1.6667e-01)
mat_list.append(fuel)
buff = openmc.Material(name='Buffer')
buff.set_density('g/cm3', 1.0)
buff.add_element('C', 1.0)
buff.add_s_alpha_beta('c_Graphite')
mat_list.append(buff)
PyC1 = openmc.Material(name='PyC1')
PyC1.set_density('g/cm3', 1.9)
PyC1.add_element('C', 1.0)
PyC1.add_s_alpha_beta('c_Graphite')
mat_list.append(PyC1)
PyC2 = openmc.Material(name='PyC2')
PyC2.set_density('g/cm3', 1.87)
PyC2.add_element('C', 1.0)
PyC2.add_s_alpha_beta('c_Graphite')
mat_list.append(PyC2)
SiC = openmc.Material(name='SiC')
SiC.set_density('g/cm3', 3.2)
SiC.add_element('C', 0.5)
SiC.add_element('Si', 0.5)
mat_list.append(SiC)
fuel_temp = 900
homogeneous_fuel = build_fuel_material(fuel_temp, pack_frac)
mat_list.append(homogeneous_fuel)
mats = openmc.Materials(mat_list)
mats.export_to_xml()
#############################
### GEOMETRY ###
#############################
pitch = 17.4
fuel_bottom = -pitch / 2
fuel_top = pitch / 2
coolant_r = 4
# fuel_r = (pitch/2 - coolant_r)/2
fuel_r = (pitch / (3**(1 / 2)) - coolant_r) / 2
hex_universe = openmc.Universe()
top = openmc.ZPlane(z0=fuel_top, boundary_type='reflective')
bottom = openmc.ZPlane(z0=fuel_bottom, boundary_type='reflective')
surf_fuel = openmc.ZCylinder(r=fuel_r)
# Make TRISOS to be filled in fuel cylinders by chopping up
# fuel cylinder into segments
n_cyls = 40
fuel_segment_heights = np.linspace(fuel_bottom, fuel_top, n_cyls)
segment_height = fuel_segment_heights[1] - fuel_segment_heights[0]
fuel_planes = [bottom]
fuel_cells = []
for i, height in enumerate(fuel_segment_heights[1:-1]):
this_plane = openmc.ZPlane(z0=height)
fuel_planes.append(this_plane)
this_cell = openmc.Cell()
this_cell.region = +fuel_planes[i] & -fuel_planes[i + 1] & -surf_fuel
fuel_cells.append(copy.deepcopy(this_cell))
# last cell
fuel_planes.append(top)
this_cell = openmc.Cell()
this_cell.region = +fuel_planes[-2] & -fuel_planes[-1] & -surf_fuel
fuel_cells.append(copy.deepcopy(this_cell))
# Make fuel cylinder
fuel_cyl_top = openmc.ZPlane(z0=segment_height / 2)
fuel_cyl_bottom = openmc.ZPlane(z0=-segment_height / 2)
fuel_triso_region = -surf_fuel & +fuel_cyl_bottom & -fuel_cyl_top
outer_radius = 425. * 1e-4
# openmc.model.triso._Cylinder.from_region(fuel_region, outer_radius)
spheres = [openmc.Sphere(r=r * 1e-4) for r in [215., 315., 350., 385.]]
cells = [
openmc.Cell(fill=fuel, region=-spheres[0]),
openmc.Cell(fill=buff, region=+spheres[0] & -spheres[1]),
openmc.Cell(fill=PyC1, region=+spheres[1] & -spheres[2]),
openmc.Cell(fill=SiC, region=+spheres[2] & -spheres[3]),
openmc.Cell(fill=PyC2, region=+spheres[3])
]
triso_univ = openmc.Universe(cells=cells)
outer_radius = 425. * 1e-4
centers = openmc.model.pack_spheres(radius=outer_radius,
region=fuel_triso_region,
pf=pack_frac)
trisos = [openmc.model.TRISO(outer_radius, triso_univ, c) for c in centers]
outside_trisos = openmc.Intersection(~t.region for t in trisos)
# background_region = outside_trisos & +fuel_cyl_bottom & \
# -fuel_cyl_top & -surf_fuel
background_region = outside_trisos
background_cell = openmc.Cell(fill=graphite, region=background_region)
fuel_triso_univ = openmc.Universe()
fuel_triso_univ.add_cell(background_cell)
for idx, triso in enumerate(trisos):
fuel_triso_univ.add_cell(triso)
# Fill in fuel cells with triso cells and translate to location
for i, cell in enumerate(fuel_cells):
cell_height = segment_height * (i + 1 / 2) + fuel_bottom
cell.translation = [0, 0, cell_height]
cell.fill = fuel_triso_univ
fuel_cell_univ = openmc.Universe(cells=fuel_cells)
# For testing solid fuel
# test_region = +bottom & -top & -surf_fuel
# fuel_cell = openmc.Cell(region=test_region, fill=fuel)
# fuel_cell_univ = openmc.Universe(cells=[fuel_cell])
coolant_cyl = openmc.ZCylinder(r=coolant_r)
coolant_region = -coolant_cyl
coolant_cell = openmc.Cell()
coolant_cell.fill = naoh
coolant_cell.region = coolant_region
hex_universe.add_cell(coolant_cell)
hex_prism = openmc.get_hexagonal_prism(edge_length=pitch / (3**1 / 2),
boundary_type='reflective')
graphite_region = hex_prism & +coolant_cyl & -top & +bottom
graphite_cell = openmc.Cell()
graphite_cell.fill = graphite
graphite_cell.region = graphite_region
hex_universe.add_cell(graphite_cell)
fuel_cells = []
root3 = 3**(1 / 2)
half_to_vertex = pitch / root3 / 2
half_to_edge = pitch / 4
# fuel_id = 100
offset_angle = 30
n_pins = 6
for i in range(n_pins):
theta = (offset_angle + i / n_pins * 360) * pi / 180
r = coolant_r + fuel_r + 0.01
x = r * np.cos(theta)
y = r * np.sin(theta)
fuel_cyl_bound = openmc.ZCylinder(x0=x, y0=y, r=fuel_r)
graphite_cell.region &= +fuel_cyl_bound
fuel_cell = openmc.Cell()
fuel_cell.fill = copy.deepcopy(fuel_cell_univ)
fuel_cell.translation = [x, y, 0]
fuel_cell.region = -fuel_cyl_bound & -top & +bottom
# fuel_cell.id = fuel_id
# fuel_id += 1
fuel_cells.append(fuel_cell)
hex_universe.add_cell(fuel_cell)
geom = openmc.Geometry(hex_universe)
# geom = openmc.Geometry(fuel_cell_univ)
geom.export_to_xml()
#####################################
### SOURCE/BATCHES ###
#####################################
point = openmc.stats.Point((0, 0, 0))
src = openmc.Source(space=point)
settings.source = src
settings.batches = 50
settings.inactive = 10
settings.particles = 200
settings.export_to_xml()
#############################
### TALLIES ###
#############################
# Instantiate an empty Tallies object
tallies_file = openmc.Tallies()
# K-Eigenvalue (infinity) tallies
fiss_rate = openmc.Tally(name='fiss. rate')
fiss_rate.scores = ['nu-fission']
tallies_file.append(fiss_rate)
abs_rate = openmc.Tally(name='abs. rate')
abs_rate.scores = ['absorption']
tallies_file.append(abs_rate)
# Resonance Escape Probability tallies
therm_abs_rate = openmc.Tally(name='therm. abs. rate')
therm_abs_rate.scores = ['absorption']
therm_abs_rate.filters = [openmc.EnergyFilter([0., 0.625])]
tallies_file.append(therm_abs_rate)
# Thermal Flux Utilization tallies
# fuel_therm_abs_rate = openmc.Tally(name='fuel therm. abs. rate')
# fuel_therm_abs_rate.scores = ['absorption']
# fuel_therm_abs_rate.filters = [openmc.EnergyFilter([0., 0.625]),
# openmc.CellFilter([fuel_cell])]
# tallies_file.append(fuel_therm_abs_rate)
# Fast Fission Factor tallies
therm_fiss_rate = openmc.Tally(name='therm. fiss. rate')
therm_fiss_rate.scores = ['nu-fission']
therm_fiss_rate.filters = [openmc.EnergyFilter([0., 0.625])]
tallies_file.append(therm_fiss_rate)
tallies_file.export_to_xml()
#############################
### PLOTTING ###
#############################
zs = np.linspace(0, 1, 2)
plots = []
for z in zs:
p = openmc.Plot()
p.filename = 'pinplot' + str(z)
p.width = (1.4 * pitch, 1.4 * pitch)
p.pixels = (2000, 2000)
p.color_by = 'material'
p.origin = [0, 0, z]
# p.color_by = 'cell'
# p.colors = {homogeneous_fuel: 'yellow', naoh: 'grey', graphite: 'black'}
p.colors = {fuel: 'yellow', naoh: 'grey', graphite: 'black'}
plots.append(copy.deepcopy(p))
plots = openmc.Plots(plots)
plots.export_to_xml()
# openmc.plot_geometry(output = False)
openmc.plot_geometry()
# pngstring = 'pinplot{}.png'.format(str(pitch))
# subprocess.call(['convert','pinplot.ppm',pngstring])
# subprocess.call(['mv',pngstring,'figures/'+pngstring])
#############################
### EXECUTION ###
#############################
# openmc.run(output=False)
openmc.run()
sp = openmc.StatePoint('statepoint.{}.h5'.format(settings.batches))
# Collect all the tallies
fiss_rate = sp.get_tally(name='fiss. rate')
fiss_rate_df = fiss_rate.get_pandas_dataframe()
abs_rate = sp.get_tally(name='abs. rate')
abs_rate_df = abs_rate.get_pandas_dataframe()
therm_abs_rate = sp.get_tally(name='therm. abs. rate')
therm_abs_rate_df = therm_abs_rate.get_pandas_dataframe()
fuel_therm_abs_rate = sp.get_tally(name='fuel therm. abs. rate')
fuel_therm_abs_rate_df = fuel_therm_abs_rate.get_pandas_dataframe()
therm_fiss_rate = sp.get_tally(name='therm. fiss. rate')
therm_fiss_rate_df = therm_fiss_rate.get_pandas_dataframe()
# Compute k-infinity
kinf = fiss_rate / abs_rate
kinf_df = kinf.get_pandas_dataframe()
# Compute resonance escape probability
res_esc = (therm_abs_rate) / (abs_rate)
res_esc_df = res_esc.get_pandas_dataframe()
# Compute fast fission factor
fast_fiss = fiss_rate / therm_fiss_rate
fast_fiss_df = fast_fiss.get_pandas_dataframe()
# Compute thermal flux utilization
therm_util = fuel_therm_abs_rate / therm_abs_rate
therm_util_df = therm_util.get_pandas_dataframe()
# Compute neutrons produced per absorption
eta = therm_fiss_rate / fuel_therm_abs_rate
eta_df = eta.get_pandas_dataframe()
columns = [
'pitch', 'enrichment', 'kinf mean', 'kinf sd', 'res_esc mean',
'res_esc sd', 'fast_fiss mean', 'fast_fiss sd', 'therm_util mean',
'therm_util sd', 'eta mean', 'eta sd'
]
data = [[
pitch, enrichment, kinf_df['mean'][0], kinf_df['std. dev.'][0],
res_esc_df['mean'][0], res_esc_df['std. dev.'][0],
fast_fiss_df['mean'][0], fast_fiss_df['std. dev.'][0],
therm_util_df['mean'][0], therm_util_df['std. dev.'][0],
eta_df['mean'][0], eta_df['std. dev.'][0]
]]
all_tallies = pd.DataFrame(data, columns=columns)
return all_tallies
def model():
model = openmc.Model()
# materials (M4 steel alloy)
m4 = openmc.Material()
m4.set_density('g/cc', 2.3)
m4.add_nuclide('H1', 0.168018676)
m4.add_nuclide("H2", 1.93244e-05)
m4.add_nuclide("O16", 0.561814465)
m4.add_nuclide("O17", 0.00021401)
m4.add_nuclide("Na23", 0.021365)
m4.add_nuclide("Al27", 0.021343)
m4.add_nuclide("Si28", 0.187439342)
m4.add_nuclide("Si29", 0.009517714)
m4.add_nuclide("Si30", 0.006273944)
m4.add_nuclide("Ca40", 0.018026179)
m4.add_nuclide("Ca42", 0.00012031)
m4.add_nuclide("Ca43", 2.51033e-05)
m4.add_nuclide("Ca44", 0.000387892)
m4.add_nuclide("Ca46", 7.438e-07)
m4.add_nuclide("Ca48", 3.47727e-05)
m4.add_nuclide("Fe54", 0.000248179)
m4.add_nuclide("Fe56", 0.003895875)
m4.add_nuclide("Fe57", 8.99727e-05)
m4.add_nuclide("Fe58", 1.19737e-05)
s0 = openmc.Sphere(r=240)
s1 = openmc.Sphere(r=250, boundary_type='vacuum')
c0 = openmc.Cell(fill=m4, region=-s0)
c1 = openmc.Cell(region=+s0 & -s1)
model.geometry = openmc.Geometry([c0, c1])
# settings
settings = model.settings
settings.run_mode = 'fixed source'
settings.particles = 200
settings.batches = 2
settings.max_splits = 200
settings.photon_transport = True
space = Point((0.001, 0.001, 0.001))
energy = Discrete([14E6], [1.0])
settings.source = openmc.Source(space=space, energy=energy)
# tally
mesh = openmc.RegularMesh()
mesh.lower_left = (-240, -240, -240)
mesh.upper_right = (240, 240, 240)
mesh.dimension = (5, 10, 15)
mesh_filter = openmc.MeshFilter(mesh)
e_bnds = [0.0, 0.5, 2E7]
energy_filter = openmc.EnergyFilter(e_bnds)
particle_filter = openmc.ParticleFilter(['neutron', 'photon'])
tally = openmc.Tally()
tally.filters = [mesh_filter, energy_filter, particle_filter]
tally.scores = ['flux']
model.tallies.append(tally)
# weight windows
# load pre-generated weight windows
# (created using the same tally as above)
ww_n_lower_bnds = np.loadtxt('ww_n.txt')
ww_p_lower_bnds = np.loadtxt('ww_p.txt')
# create a mesh matching the one used
# to generate the weight windows
ww_mesh = openmc.RegularMesh()
ww_mesh.lower_left = (-240, -240, -240)
ww_mesh.upper_right = (240, 240, 240)
ww_mesh.dimension = (5, 6, 7)
ww_n = openmc.WeightWindows(ww_mesh,
ww_n_lower_bnds,
None,
10.0,
e_bnds,
max_lower_bound_ratio=1.5)
ww_p = openmc.WeightWindows(ww_mesh,
ww_p_lower_bnds,
None,
10.0,
e_bnds,
max_lower_bound_ratio=1.5)
model.settings.weight_windows = [ww_n, ww_p]
return model
# Create a DT point source source = openmc.Source() source.space = openmc.stats.Point((150, 0, 0)) source.angle = openmc.stats.Isotropic() source.energy = openmc.stats.Discrete([14e6], [1]) sett.source = source sett.photon_transport = True # This line is required to switch on photons tracking # setup the tallies tallies = openmc.Tallies() photon_particle_filter = openmc.ParticleFilter(['photon']) # This line adds a particle filter for photons neutron_particle_filter = openmc.ParticleFilter(['neutron']) cell_filter = openmc.CellFilter(breeder_blanket_cell) energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175'] energy_filter = openmc.EnergyFilter(energy_bins) spectra_tally = openmc.Tally(name='breeder_blanket_neutron_spectra') spectra_tally.filters = [cell_filter, neutron_particle_filter, energy_filter] spectra_tally.scores = ['flux'] tallies.append(spectra_tally) spectra_tally = openmc.Tally(name='breeder_blanket_photon_spectra') spectra_tally.filters = [cell_filter, photon_particle_filter, energy_filter] spectra_tally.scores = ['flux'] tallies.append(spectra_tally) # Run OpenMC! model = openmc.model.Model(geom, mats, sett, tallies) sp_filename = model.run()
def make_materials_geometry_tallies(v):
enrichment_fraction, thickness = v
inner_radius = 500
breeder_material_name = 'Li'
temperature_in_C = 500
print('simulating enrichment,', enrichment_fraction, 'thickness ',
thickness)
# MATERIALS from library of materials in neutronics_material_maker package
breeder_material = Material(
material_name=breeder_material_name,
enrichment_fraction=enrichment_fraction,
temperature_in_C=temperature_in_C).neutronics_material
eurofer = Material(material_name='eurofer').neutronics_material
mats = openmc.Materials([breeder_material, eurofer])
# GEOMETRY
breeder_blanket_inner_surface = openmc.Sphere(r=inner_radius)
breeder_blanket_outer_surface = openmc.Sphere(r=inner_radius + thickness)
vessel_inner_surface = openmc.Sphere(r=inner_radius + thickness + 10)
vessel_outer_surface = openmc.Sphere(r=inner_radius + thickness + 20,
boundary_type='vacuum')
breeder_blanket_region = -breeder_blanket_outer_surface & +breeder_blanket_inner_surface
breeder_blanket_cell = openmc.Cell(region=breeder_blanket_region)
breeder_blanket_cell.fill = breeder_material
breeder_blanket_cell.name = 'breeder_blanket'
inner_void_region = -breeder_blanket_inner_surface
inner_void_cell = openmc.Cell(region=inner_void_region)
inner_void_cell.name = 'inner_void'
vessel_region = +vessel_inner_surface & -vessel_outer_surface
vessel_cell = openmc.Cell(region=vessel_region)
vessel_cell.name = 'vessel'
vessel_cell.fill = eurofer
blanket_vessel_gap_region = -vessel_inner_surface & +breeder_blanket_outer_surface
blanket_vessel_gap_cell = openmc.Cell(region=blanket_vessel_gap_region)
blanket_vessel_gap_cell.name = 'blanket_vessel_gap'
universe = openmc.Universe(cells=[
inner_void_cell, breeder_blanket_cell, blanket_vessel_gap_cell,
vessel_cell
])
geom = openmc.Geometry(universe)
# SIMULATION SETTINGS
sett = openmc.Settings()
# batches = 3 # this is parsed as an argument
sett.batches = batches
sett.inactive = 0
sett.particles = 500
sett.run_mode = 'fixed source'
source = openmc.Source()
source.space = openmc.stats.Point((0, 0, 0))
source.angle = openmc.stats.Isotropic()
source.energy = openmc.stats.Muir(
e0=14080000.0, m_rat=5.0, kt=20000.0
) # neutron energy = 14.08MeV, AMU for D + T = 5, temperature is 20KeV
sett.source = source
# TALLIES
tallies = openmc.Tallies()
# define filters
cell_filter_breeder = openmc.CellFilter(breeder_blanket_cell)
cell_filter_vessel = openmc.CellFilter(vessel_cell)
particle_filter = openmc.ParticleFilter([1]) # 1 is neutron, 2 is photon
surface_filter_rear_blanket = openmc.SurfaceFilter(
breeder_blanket_outer_surface)
surface_filter_rear_vessel = openmc.SurfaceFilter(vessel_outer_surface)
energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175']
energy_filter = openmc.EnergyFilter(energy_bins)
tally = openmc.Tally(name='TBR')
tally.filters = [cell_filter_breeder, particle_filter]
tally.scores = [
'(n,Xt)'
] # MT 205 is the (n,Xt) reaction where X is a wildcard, if MT 105 or (n,t) then some tritium production will be missed, for example (n,nt) which happens in Li7 would be missed
tallies.append(tally)
# RUN OPENMC
model = openmc.model.Model(geom, mats, sett, tallies)
model.run()
sp = openmc.StatePoint('statepoint.' + str(batches) + '.h5')
json_output = {
'enrichment_fraction': enrichment_fraction,
'inner_radius': inner_radius,
'thickness': thickness,
'breeder_material_name': breeder_material_name,
'temperature_in_C': temperature_in_C
}
tally = sp.get_tally(name='TBR')
df = tally.get_pandas_dataframe()
json_output['TBR'] = df['mean'].sum()
json_output['TBR_std_dev'] = df['std. dev.'].sum()
return json_output
# Define tallies # Create a mesh that will be used for tallying mesh = openmc.RegularMesh() mesh.dimension = (100, 100) mesh.lower_left = (-pitch / 2, -pitch / 2) mesh.upper_right = (pitch / 2, pitch / 2) # Create a mesh filter that can be used in a tally mesh_filter = openmc.MeshFilter(mesh) # Now use the mesh filter in a tally and indicate what scores are desired mesh_tally = openmc.Tally(name="Mesh tally") mesh_tally.filters = [mesh_filter] mesh_tally.scores = ['flux', 'fission', 'nu-fission'] # Let's also create a tally to get the flux energy spectrum. We start by # creating an energy filter e_min, e_max = 1e-5, 20.0e6 groups = 500 energies = np.logspace(log10(e_min), log10(e_max), groups + 1) energy_filter = openmc.EnergyFilter(energies) spectrum_tally = openmc.Tally(name="Flux spectrum") spectrum_tally.filters = [energy_filter] spectrum_tally.scores = ['flux'] # Instantiate a Tallies collection and export to XML tallies = openmc.Tallies([mesh_tally, spectrum_tally]) tallies.export_to_xml()
bounds = [-0.63, -0.63, -1, 0.63, 0.63, 1]
uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
settings_file.source = openmc.source.Source(space=uniform_dist)
settings_file.export_to_xml()
###############################################################################
# Exporting to OpenMC tallies.xml file
###############################################################################
# Instantiate a tally mesh
mesh = openmc.Mesh(mesh_id=1)
mesh.type = 'regular'
mesh.dimension = [100, 100, 1]
mesh.lower_left = [-0.63, -0.63, -1.e50]
mesh.upper_right = [0.63, 0.63, 1.e50]
# Instantiate some tally Filters
energy_filter = openmc.EnergyFilter([1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6,
1.0e6, 20.0e6])
mesh_filter = openmc.MeshFilter(mesh)
# Instantiate the Tally
tally = openmc.Tally(tally_id=1, name='tally 1')
tally.filters = [energy_filter, mesh_filter]
tally.scores = ['flux', 'fission', 'nu-fission']
# Instantiate a Tallies collection, register all Tallies, and export to XML
tallies_file = openmc.Tallies([tally])
tallies_file.export_to_xml()
def make_geometry_tallies(batches, nps, inner_radius, thickness):
first_wall_inner_surface = openmc.Sphere(r=inner_radius)
first_wall_outer_surface = openmc.Sphere(r=inner_radius + thickness,
boundary_type='vacuum')
first_wall = +first_wall_inner_surface & -first_wall_outer_surface
first_wall = openmc.Cell(region=first_wall)
first_wall.fill = eurofer
inner_vac_cell = -first_wall_inner_surface
inner_vac_cell = openmc.Cell(region=inner_vac_cell)
universe = openmc.Universe(cells=[first_wall, inner_vac_cell])
geom = openmc.Geometry(universe)
geom.export_to_xml('geometry')
vox_plot = openmc.Plot()
vox_plot.type = 'voxel'
vox_plot.width = (15, 15, 15)
vox_plot.pixels = (200, 200, 200)
vox_plot.filename = 'plot_3d'
vox_plot.color_by = 'material'
vox_plot.colors = {eurofer: 'blue'}
plots = openmc.Plots([vox_plot])
plots.export_to_xml()
openmc.plot_geometry()
os.system('openmc-voxel-to-vtk plot_3d.h5 -o plot_3d.vti')
os.system('paraview plot_3d.vti')
sett = openmc.Settings()
sett.batches = batches
sett.inactive = 0
sett.particles = nps
sett.run_mode = 'fixed source'
source = openmc.Source()
source.space = openmc.stats.Point((0, 0, 0))
source.angle = openmc.stats.Isotropic()
source.energy = openmc.stats.Discrete([14.08e6], [1])
#source.energy = openmc.stats.Muir(e0=14080000.0, m_rat=5.0, kt=20000.0)
sett.source = source
sett.export_to_xml('settings.xml')
#tallies
particle_filter = openmc.ParticleFilter([1])
surface_filter_front = openmc.SurfaceFilter(first_wall_inner_surface)
surface_filter_rear = openmc.SurfaceFilter(first_wall_outer_surface)
bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175']
#think will need to change this
energy_filter = openmc.EnergyFilter(bins)
tallies = openmc.Tallies()
tally = openmc.Tally(name='incident_neutron_current')
tally.filters = [surface_filter_front, particle_filter]
tally.scores = ['current']
tallies.append(tally)
tally = openmc.Tally(name='leakage_neutron_current')
tally.filters = [surface_filter_rear, particle_filter]
tally.scores = ['current']
tallies.append(tally)
tally = openmc.Tally(name='incident_neutron_spectrum')
tally.filters = [surface_filter_rear, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
tally = openmc.Tally(name='leakage_neutron_spectrum')
tally.filters = [surface_filter_front, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
model = openmc.model.Model(geom, mats, sett, tallies)
model.run()
sp = openmc.StatePoint('statepoint.' + str(batches) + '.h5')
#we want to retrieve our tallies, but we now want to save them in a .json file
#therefore, we setup the json file to recieve the tally data
#for now, we will simply get the json file to get the neutron current
#first, we specify the 'general' parameters about the setup that we want the .json file to recieve
json_output = {'inner_radius': inner_radius, 'thickness': thickness}
#i.e. these are the general parameters about the setup that we want the json file to recieve
#however, we also want the json file to retrieve the data from the tallies
#first, we want to retrieve the neutron current at the inner and outer surfaces
tallies_to_retrieve = [
'incident_neutron_current', 'leakage_neutron_current'
]
for tally_name in tallies_to_retrieve:
tally = sp.get_tally(name=tally_name)
df = tally.get_pandas_dataframe()
#defining something that stands for dataframe, need to investigate this
#its basically something that we use to obtain the mean value and the std deviation value of the tally
tally_result = df['mean'].sum()
tally_std_dev = df['std. dev.'].sum()
json_output[tally_name] = {
'value': tally_result,
'std_dev': tally_std_dev
}
#next we wnat to retrieve the neutron spectra data at the inner and outer surfaces of the shell
spectra_tallies_to_retrieve = [
'incident_neutron_spectrum', 'leakage_neutron_spectrum'
]
for spectra_name in spectra_tallies_to_retrieve:
spectra_tally = sp.get_tally(name=spectra_name)
spectra_tally_result = [entry[0][0] for entry in spectra_tally.mean]
spectra_tally_std_dev = [
entry[0][0] for entry in spectra_tally.std_dev
]
#print(spectra_tally_result)
return json_output
settings_file.source = openmc.source.Source(space=uniform_dist) entropy_mesh = openmc.RegularMesh() entropy_mesh.lower_left = [-entropy_mesh_value, -entropy_mesh_value, -1.e50] entropy_mesh.upper_right = [entropy_mesh_value, entropy_mesh_value, 1.e50] entropy_mesh.dimension = [10, 10, 1] settings_file.entropy_mesh = entropy_mesh settings_file.export_to_xml() ############################################################################### # Exporting to OpenMC tallies.xml file ############################################################################### tallies_file = openmc.Tallies() energy_filter = openmc.EnergyFilter([0., 0.625, 20.0e6]) # Instantiate flux Tally in moderator and fuel tally = openmc.Tally(name='flux') tally.filters = [openmc.CellFilter([fuel, water])] tally.filters.append(energy_filter) tally.scores = ['flux'] tallies_file.append(tally) # Instantiate reaction rate Tally in fuel tally = openmc.Tally(name='fuel rxn rates') tally.filters = [openmc.CellFilter(fuel)] tally.filters.append(energy_filter) tally.scores = ['nu-fission', 'scatter'] tally.nuclides = ['U238', 'U235'] tallies_file.append(tally)
def make_geometry_tallies(batches, nps, enrichment_fraction, inner_radius,
thickness, breeder_material_name, temperature_in_C):
#print('simulating ',batches,enrichment_fraction,inner_radius,thickness,breeder_material_name)
#MATERIALS#
breeder_material = make_breeder_materials(enrichment_fraction,
breeder_material_name,
temperature_in_C)
eurofer = make_eurofer()
copper = make_copper()
mats = openmc.Materials([breeder_material, eurofer, copper])
mats.export_to_xml('materials.xml')
#GEOMETRY#
central_sol_surface = openmc.ZCylinder(R=100)
central_shield_outer_surface = openmc.ZCylinder(R=110)
first_wall_inner_surface = openmc.Sphere(R=inner_radius)
first_wall_outer_surface = openmc.Sphere(R=inner_radius + 10)
breeder_blanket_outer_surface = openmc.Sphere(R=inner_radius + 10.0 +
thickness)
vessel_outer_surface = openmc.Sphere(R=inner_radius + 10.0 + thickness +
10.0,
boundary_type='vacuum')
central_sol_region = -central_sol_surface & -breeder_blanket_outer_surface
central_sol_cell = openmc.Cell(region=central_sol_region)
central_sol_cell.fill = copper
central_shield_region = +central_sol_surface & -central_shield_outer_surface & -breeder_blanket_outer_surface
central_shield_cell = openmc.Cell(region=central_shield_region)
central_shield_cell.fill = eurofer
inner_void_region = -first_wall_inner_surface & +central_shield_outer_surface
inner_void_cell = openmc.Cell(region=inner_void_region)
inner_void_cell.name = 'inner_void'
first_wall_region = -first_wall_outer_surface & +first_wall_inner_surface & +central_shield_outer_surface
first_wall_cell = openmc.Cell(region=first_wall_region)
first_wall_cell.fill = eurofer
breeder_blanket_region = +first_wall_outer_surface & -breeder_blanket_outer_surface & +central_shield_outer_surface
breeder_blanket_cell = openmc.Cell(region=breeder_blanket_region)
breeder_blanket_cell.fill = breeder_material
vessel_region = +breeder_blanket_outer_surface & -vessel_outer_surface
vessel_cell = openmc.Cell(region=vessel_region)
vessel_cell.name = 'vessel'
vessel_cell.fill = eurofer
universe = openmc.Universe(cells=[
central_sol_cell, central_shield_cell, inner_void_cell,
first_wall_cell, breeder_blanket_cell, vessel_cell
])
#plt.show(universe.plot(width=(1500,1500),basis='xz'))
geom = openmc.Geometry(universe)
# geom.export_to_xml('geometry.xml')
#SIMULATION SETTINGS#
sett = openmc.Settings()
sett.batches = batches
sett.inactive = 1
sett.particles = nps
sett.run_mode = 'fixed source'
source = openmc.Source()
source.space = openmc.stats.Point((150, 0, 0))
source.angle = openmc.stats.Isotropic()
#source.energy = openmc.stats.Discrete([14.08e6], [1])
source.energy = openmc.stats.Muir(
e0=14080000.0, m_rat=5.0, kt=20000.0
) #neutron energy = 14.08MeV, AMU for D + T = 5, temperature is 20KeV
sett.source = source
sett.export_to_xml('settings.xml')
#tally filters
particle_filter = openmc.ParticleFilter([1]) #1 is neutron, 2 is photon
cell_filter_breeder = openmc.CellFilter(breeder_blanket_cell)
cell_filter_vessel = openmc.CellFilter(vessel_cell)
surface_filter_front = openmc.SurfaceFilter(first_wall_inner_surface)
surface_filter_rear = openmc.SurfaceFilter(breeder_blanket_outer_surface)
energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175']
energy_filter = openmc.EnergyFilter(energy_bins)
#TALLIES#
tallies = openmc.Tallies()
tally = openmc.Tally(name='TBR')
tally.filters = [cell_filter_breeder, particle_filter]
tally.scores = ['205']
tallies.append(tally)
tally = openmc.Tally(name='blanket_leakage')
tally.filters = [surface_filter_rear, particle_filter]
tally.scores = ['current']
tallies.append(tally)
tally = openmc.Tally(name='vessel_leakage')
tally.filters = [surface_filter_rear, particle_filter]
tally.scores = ['current']
tallies.append(tally)
tally = openmc.Tally(name='rear_neutron_spectra')
tally.filters = [surface_filter_rear, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
tally = openmc.Tally(name='front_neutron_spectra')
tally.filters = [surface_filter_front, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
tally = openmc.Tally(name='breeder_blanket_spectra')
tally.filters = [cell_filter_breeder, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
tally = openmc.Tally(name='vacuum_vessel_spectra')
tally.filters = [cell_filter_vessel, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
tally = openmc.Tally(name='DPA')
tally.filters = [cell_filter_vessel, particle_filter]
tally.scores = ['444']
tallies.append(tally)
#RUN OPENMC #
model = openmc.model.Model(geom, mats, sett, tallies)
model.run()
#RETRIEVING TALLY RESULTS
sp = openmc.StatePoint('statepoint.' + str(batches) + '.h5')
json_output = {
'enrichment_fraction': enrichment_fraction,
'inner_radius': inner_radius,
'thickness': thickness,
'breeder_material_name': breeder_material_name,
'temperature_in_C': temperature_in_C
}
tallies_to_retrieve = ['TBR', 'DPA', 'blanket_leakage', 'vessel_leakage']
for tally_name in tallies_to_retrieve:
tally = sp.get_tally(name=tally_name)
tally_result = tally.sum[0][0][
0] / batches #for some reason the tally sum is a nested list
tally_std_dev = tally.std_dev[0][0][
0] / batches #for some reason the tally std_dev is a nested list
json_output[tally_name] = {
'value': tally_result,
'std_dev': tally_std_dev
}
spectra_tallies_to_retrieve = [
'front_neutron_spectra', 'breeder_blanket_spectra',
'vacuum_vessel_spectra', 'rear_neutron_spectra'
]
for spectra_name in spectra_tallies_to_retrieve:
spectra_tally = sp.get_tally(name=spectra_name)
spectra_tally_result = [entry[0][0] for entry in spectra_tally.mean]
spectra_tally_std_dev = [
entry[0][0] for entry in spectra_tally.std_dev
]
json_output[spectra_name] = {
'value': spectra_tally_result,
'std_dev': spectra_tally_std_dev,
'energy_groups': list(energy_bins)
}
return json_output
def _make_openmc_input(self):
"""Generate the OpenMC input XML
"""
# Define material
mat = openmc.Material()
for nuclide, fraction in self.nuclides:
mat.add_nuclide(nuclide, fraction)
mat.set_density('g/cm3', self.density)
materials = openmc.Materials([mat])
if self.xsdir is not None:
xs_path = (self.openmc_dir / 'cross_sections.xml').resolve()
materials.cross_sections = str(xs_path)
materials.export_to_xml(self.openmc_dir / 'materials.xml')
# Instantiate surfaces
cyl = openmc.XCylinder(boundary_type='vacuum', r=1.e-6)
px1 = openmc.XPlane(boundary_type='vacuum', x0=-1.)
px2 = openmc.XPlane(boundary_type='transmission', x0=1.)
px3 = openmc.XPlane(boundary_type='vacuum', x0=1.e9)
# Instantiate cells
inner_cyl_left = openmc.Cell()
inner_cyl_right = openmc.Cell()
outer_cyl = openmc.Cell()
# Set cells regions and materials
inner_cyl_left.region = -cyl & +px1 & -px2
inner_cyl_right.region = -cyl & +px2 & -px3
outer_cyl.region = ~(-cyl & +px1 & -px3)
inner_cyl_right.fill = mat
# Create root universe and export to XML
geometry = openmc.Geometry(
[inner_cyl_left, inner_cyl_right, outer_cyl])
geometry.export_to_xml(self.openmc_dir / 'geometry.xml')
# Define source
source = openmc.Source()
source.space = openmc.stats.Point((0, 0, 0))
source.angle = openmc.stats.Monodirectional()
source.energy = openmc.stats.Discrete([self.energy], [1.])
source.particle = 'neutron'
# Settings
settings = openmc.Settings()
if self._temperature is not None:
settings.temperature = {'default': self._temperature}
settings.source = source
settings.particles = self.particles // self._batches
settings.run_mode = 'fixed source'
settings.batches = self._batches
settings.photon_transport = True
settings.electron_treatment = self.electron_treatment
settings.cutoff = {'energy_photon': self._cutoff_energy}
settings.export_to_xml(self.openmc_dir / 'settings.xml')
# Define filters
surface_filter = openmc.SurfaceFilter(cyl)
particle_filter = openmc.ParticleFilter('photon')
energy_bins = np.logspace(np.log10(self._cutoff_energy),
np.log10(self.max_energy), self._bins + 1)
energy_filter = openmc.EnergyFilter(energy_bins)
# Create tallies and export to XML
tally = openmc.Tally(name='tally')
tally.filters = [surface_filter, energy_filter, particle_filter]
tally.scores = ['current']
tallies = openmc.Tallies([tally])
tallies.export_to_xml(self.openmc_dir / 'tallies.xml')
class Couple_openmc(object):
# One-group energy bin
energy_bin = openmc.EnergyFilter([0., 20.0e6])
# Multigroup energy bin
minorder = -3
maxorder = 7
mg_energy = np.logspace(minorder, maxorder, (maxorder - minorder) * 30 + 1)
mg_energy_mid_points = [(x+y)/2 for x,y in zip(mg_energy[1:],mg_energy[:-1])]
#mg_energy = np.logspace(-3, 7, num=300, base=10.0)
mg_energy_bin = openmc.EnergyFilter(mg_energy)
zero_dens_1_atm = 1E-24
def __init__(self, MC_input_path = None, xs_mode = 'no constant lib', MPI = None):
# If no MC_input_path is input, it is set to cwd
if MC_input_path == None:
MC_input_path = os.getcwd()
self._MC_input_path = MC_input_path
# If no mode is input by the user, mode is set by default to 'const_lib'
if xs_mode == None:
xs_mode == 'constant lib'
self._xs_mode = xs_mode
# # If MPI is not set to on by the user, MPI is set to off
# if MPI == None:
# MPI == 'off'
# self._MPI = MPI
self._MPI = None
self._volume_set = 'no'
# List of selected cells to deplete
self.selected_bucells_name_list = None
# Dict of selected cells to deplete with their user defined nucl list
self.selected_bucells_nucl_list_dict = None
self._fy_lib_set = 'no'
self._decay_lib_set = 'no'
self._xs_lib_set = 'no'
self._sampled_isomeric_branching_data = None
self._sampled_ng_cross_section_data = None
# This is the path set in OpenMC for the hdf5 point-wise cross sections
self._cross_sections_path = None
self._openmc_bin_path = None
# Old way of defaulting MC_input_path to cwd
# if args:
# self._MC_input_path = arg[0]
# else:
# self._MC_input_path = os.getcwd()
# This method is used within the code to create a new material that is
# uniquely associated to a particular cell
@property
def MC_input_path(self):
return self._MC_input_path
@property
def xs_mode(self):
return self._xs_mode
@property
def nucl_list_dict(self):
return self._nucl_list_dict
@property
def root_cell(self):
return self._root_cell
@property
def MPI(self):
return self._MPI
def set_MPI(self, execu, tasks):
self._MPI = 'on'
self._tasks = tasks
self._exec = execu
# for no_const_lib mode, defines the list of nucl that will be simulated
# for mat id #
# def set_nucl_list(self, mat_name, nucl_list):
# self._nucl_list_dict[mat_name] = nucl_list
def select_bucells(self, bucell_list):
self.selected_bucells_name_list = []
self.selected_bucells_nucl_list_dict = {}
for arg in bucell_list:
# If this element is a tuple (bucell , nucl list)
if isinstance(arg,tuple):
bucell_name = arg[0].name
self.selected_bucells_name_list.append(bucell_name)
self.selected_bucells_nucl_list_dict[bucell_name] = arg[1]
else:
self.selected_bucells_name_list.append(arg.name)
def get_nucl_to_be_tallied(self, bucell):
# If the user has provided a list of nuclide to be tallied
if bucell.name in self.selected_bucells_nucl_list_dict:
nucl_list_input = self.selected_bucells_nucl_list_dict[bucell.name]
if nucl_list_input == 'initial nuclides':
nucl_list = bucell.init_nucl
elif nucl_list_input == 'NAX':
NAX_nucl_list_name = utils.zamid_list_to_name_list(data.NAX_nucl_list)
NAX_nucl_list_name_new_format = utils.bu_namelist_to_mc_namelist(NAX_nucl_list_name)
# I add init_nucl because I believe it is important for init nuclides to be tallied
# Their density is usually high enough that their change can influence spectrum etc...
nucl_list = [x for x in NAX_nucl_list_name_new_format if x in self.MC_XS_nucl_list] + bucell.init_nucl
# Here we remove the potential duplicates
nucl_list = list(dict.fromkeys(nucl_list))
else:
nucl_list = nucl_list_input
else:
nucl_list = self.MC_XS_nucl_list
return nucl_list
# @property
# def nucl_list(self):
# return self._nucl_list
# # for no_const_lib mode, defines a unique nuclide list for all materials
# @nucl_list.setter
# def nucl_list(self, nucl_list):
# self._nucl_list = nucl_list
# mat_dict = self.root_cell.get_all_materials()
# for mat_id in mat_dict:
# mat = mat_dict[mad_id]
# mat_name = mat.name
# self._nucl_list_dict[mat_id] = nucl_list
@property
def system(self):
return self._system
@system.setter
def system(self, system):
self._system = system
def import_openmc(self, root_cell):
#Instantiate a system
system = System(1)
self.system = system
# read periodic surfaces (openmc summary forgets the periodic surfaces coupling)
# This function stores the periodic coupling of surfaces and it will be used later
self._periodic_surfaces_dict = read_periodic_surfaces()
# prerun to access cells and materials objects, to set cell volumes and if chosen
# add 0 density nuclides
self._pre_run(root_cell)
bucell_dict = self.get_bucell_from_cell()
system.bucell_dict = bucell_dict
system.bounding_box = self.bounding_box
# reads, modifies and set settings
self._read_user_settings()
# Move input files to input file folder
self.gen_user_input_folder()
self.copy_user_input()
# MOVED TO OPENMC RUN
# # New material xml file needs to be written with zero dens nuclides
# self.export_material_to_xml()
# # New geometry xml file needs to be written with new materials id
# self.export_geometry_to_xml()
# # Tallies xml files needs to be writen
# self.export_tallies_to_xml()
# # New settings xml files needs to be written
# self.export_settings_to_xml()
# Proably for when OpenBU pass dens to OpenMC
@property
def bounding_box(self):
return self._bounding_box
def set_bounding_box(self, ll, ur):
self._bounding_box = [ll, ur]
# def _set_material_nuclides(self, cell):
# cell_id = cell.id
# passlist = cell.passlists
# total_dens = cell.total_dens
# material = openmc.Material(cell_id)
# material.set_density('atom/b-cm', total_dens)
# for nuc in passlist:
# nuc_name = nuc.name.replace('-', '')
# nuc_ao = nuc.dens/total_dens
# material.add_nuclide(nuc_name, nuc_ao)
def set_settings(self, settings, init_dist):
# OpenMC simulation parameters
batches = settings['batches']
inactive = settings['inactive']
particles = settings['particles']
# Instantiate a Settings object
settings_file = openmc.Settings()
settings_file.batches = batches
settings_file.inactive = inactive
settings_file.particles = particles
settings_file.output = {'tallies': True}
# Create an initial uniform spatial source distribution over fissionable zones
init_dist = setting.init_dist
shape = init_dist['shape']
low_left_bound = init_dist['low_left']
up_right_bound = init_dist['up_right']
if shape == 'Box':
uniform_dist = openmc.stats.Box(low_left_bound, up_right_bound, only_fissionable=True)
settings_file.source = openmc.source.Source(space=uniform_dist)
# Export to "settings.xml"
settings_file.export_to_xml()
def gen_user_input_folder(self):
utils.gen_folder('user_input')
def copy_user_input(self):
MC_input_path = self.MC_input_path
user_input_folder_path = os.getcwd() + '/user_input'
shutil.copyfile(MC_input_path + '/geometry.xml', user_input_folder_path + '/geometry.xml')
shutil.copyfile(MC_input_path + '/materials.xml', user_input_folder_path + '/materials.xml')
shutil.copyfile(MC_input_path + '/settings.xml', user_input_folder_path + '/settings.xml')
# Probably obsolete
# def get_summary(self):
# MC_input_path = self.MC_input_path
# get_summary_dir_path = MC_input_path +'/get_summary_dir'
# os.mkdir(get_summary_dir_path)
# # Instantiate a Settings object
# settings_file = openmc.Settings()
# settings_file.batches = 2
# settings_file.inactive = 1
# settings_file.particles = 8
# # Copy the geometry and material file to the new dummy dir
# shutil.copyfile(MC_input_path + '/geometry.xml', get_summary_dir_path + '/geometry.xml')
# shutil.copyfile(MC_input_path + '/materials.xml', get_summary_dir_path + '/materials.xml')
# # Export to "settings.xml"
# settings_file.export_to_xml(path = get_summary_dir_path + '/settings.xml')
# openmc.run(cwd = get_summary_dir_path)
# summary = openmc.Summary(get_summary_dir_path + '/summary.h5')
# # geo = summary.geometry
# # cells = geo.get_all_cells()
# shutil.rmtree(get_summary_dir_path)
# return summary
#def pre_read_xml(self):
# To be able to launch the prerun, OpenBU needs at least to extract the list of
# openmc cells and the boundingbox of the system
# For that, the user needs to provide the
def _pre_run(self, root_cell):
MC_input_path = self.MC_input_path
pre_run_path = os.getcwd() +'/pre_run'
try:
shutil.rmtree(pre_run_path)
except OSError:
pass
os.mkdir(pre_run_path)
# Prepare the volume calculation
#bounding_box = root_cell.bounding_box
ll = self.bounding_box[0]
ur = self.bounding_box[1]
cell_dict = root_cell.get_all_cells()
cell_list = utils.cell_dict_to_cell_list(cell_dict)
cell_list.append(root_cell) # Add root_cell so that the total volume is calculated
vol1 = openmc.VolumeCalculation(cell_list, 100000, lower_left = ll, upper_right = ur)
settings = openmc.Settings()
settings.volume_calculations = [vol1]
settings.temperature = {'method':'interpolation'}
settings.run_mode='volume'
settings.export_to_xml(path = pre_run_path + '/settings.xml')
# Copy the geometry and material file to the new dummy dir
shutil.copyfile(MC_input_path + '/geometry.xml', pre_run_path + '/geometry.xml')
shutil.copyfile(MC_input_path + '/materials.xml', pre_run_path + '/materials.xml')
# By default, the openm_exec is set to 'openmc'
# For some reasons, this does not work on the cluster (della)
# On della, we need to explicitly define the absolute path to the bin we want to use
# Right now a temporary path that depends on my installation is used
#openmc.calculate_volumes(cwd = pre_run_path, openmc_exec='/tigress/jdtdl/openmc/py3-mpi-190324/bin/openmc')
openmc.calculate_volumes(cwd = pre_run_path, openmc_exec=self.openmc_bin_path)
#openmc.run()
# Read and set initial nuclides dict
self.set_init_nucl_dict(root_cell)
# # Read each material object and add 1atm nuclides chosen by the user
# if self.mode == 'no_const_lib':
# self.add_zero_dens_nuclides(self.nucl_list_dict)
self._set_initial_summary(pre_run_path)
self._set_cross_sections_path(pre_run_path)
# Read cross sections xml files, create MC_XS_nucl_list
self.set_MC_XS_nucl_list()
self.set_root_universe()
root_cell_name = 'root cell' # need to be specified by the user at some point
self._set_root_cell(root_cell_name)
# Extract cells from summary, add 1 atm nuclides to their material
self._change_cell_materials()
# Read and distribute volumes to cells
self.set_vol_to_cell(vol1, pre_run_path)
# pdb.set_trace()
shutil.rmtree(pre_run_path)
def set_vol_to_cell(self, vol1, pre_run_path):
root_cell = self.root_cell
cell_dict = root_cell.get_all_cells()
cell_list = utils.cell_dict_to_cell_list(cell_dict)
vol2 = vol1.from_hdf5(pre_run_path + '/volume_1.h5')
for cell in cell_list:
cell.add_volume_information(vol2)
# Add volume for the root cell too and set it to system
root_cell.add_volume_information(vol2)
# This is now done in pass_vol when user does not define vol manually
# system = self.system
# system.total_vol = root_cell.volume
# About summary
# There are two type of OpenMC summary stored in openbu: initial_summary and updated_summary
# I have noticed that updating the initial summary was causing some problem in OpenBU, i.e., the material xml file
# would not update the density. The material was updating densities normaly when relying on the initial summary
# A temporary solution for that is to separate the initial summary (that will be used to set dens to cells) and the
# updated summary that will be used to extract densities to get 1g xs for bucells
@property
def initial_summary(self):
return self._initial_summary
def _set_initial_summary(self, path = os.getcwd()):
initial_summary = openmc.Summary(path + '/summary.h5')
######### OpenMC Summary src does not close the hdf5 file it opens
######### When OpenBU tries to shutil.rmtree the pre_run folder, it can't because
######### a stream to summary.h5 is still open
######### We therefore close it here
######### !!!! This should be modified in OpenMC at some points ###########
initial_summary._f.close()
######### !!!! This should be modified in OpenMC at some points ###########
self._initial_summary = initial_summary
@property
def updated_summary(self):
return self._updated_summary
def _set_updated_summary(self, path = os.getcwd()):
updated_summary = openmc.Summary(path + '/summary.h5')
######### OpenMC Summary src does not close the hdf5 file it opens
######### When OpenBU tries to shutil.rmtree the pre_run folder, it can't because
######### a stream to summary.h5 is still open
######### We therefore close it here
######### !!!! This should be modified in OpenMC at some points ###########
updated_summary._f.close()
######### !!!! This should be modified in OpenMC at some points ###########
self._updated_summary = updated_summary
@property
def statepoint(self):
return self._statepoint
def _set_statepoint(self, path = os.getcwd()):
file_list = os.listdir()
for file in file_list:
if 'statepoint' in file:
st_name = file
statepoint = openmc.StatePoint(path + '/{}'.format(st_name))
self._statepoint = statepoint
def _set_kinf(self):
statepoint = self.statepoint
kinf = statepoint.k_combined
system = self.system
sequence = system.sequence
sequence._set_macrostep_kinf(kinf)
@property
def root_cell(self):
return self._root_cell
def set_root_universe(self):
summary = self.initial_summary
geometry = summary.geometry
root_universe = geometry.root_universe
self._root_universe = root_universe
def _set_root_cell(self, root_cell_name):
summary = self.initial_summary
# get_cells_by_name returns a list hence the index 0
self._root_cell = summary.geometry.get_cells_by_name(root_cell_name)[0]
add_periodic_surfaces(self._root_cell, self._periodic_surfaces_dict)
region = self._root_cell.region
#print (region.get_surfaces())
for surface_id in region.get_surfaces():
surface = region.get_surfaces()[surface_id]
# While the most convenient way would be to extract path from summary.materials. It looks like
# summary does not store the cross sections path in materials
def _set_cross_sections_path(self, pre_run_path):
path_to_materials_xml = pre_run_path + '/materials.xml'
tree = ET.parse(path_to_materials_xml)
root = tree.getroot()
for child in root:
if child.tag == 'cross_sections':
self._cross_sections_path = child.text.replace('/cross_sections.xml', '')
@property
def materials(self):
return self._materials
def _change_cell_materials(self):
summary = self.initial_summary
materials = summary.materials
for bucell_name in self.selected_bucells_name_list:
# If bucell should only tally initial nuclide, no need to add 1 atm nuclides
if self.selected_bucells_nucl_list_dict != {}:
if bucell_name in self.selected_bucells_nucl_list_dict:
if self.selected_bucells_nucl_list_dict[bucell_name] == 'initial nuclides':
continue
cell = summary.geometry.get_cells_by_name(bucell_name)[0]
self.add_zero_dens_nuclides(cell)
# def _change_cells_materials(self):
# root_cell = self.root_cell
# print (root_cell)
# cell_dict = root_cell.get_all_cells()
# # materials with 1atm nuclides
# materials = self.materials
# for cell_id in cell_dict:
# cell = cell_dict[cell_id]
# cell.get_all_materials
# material_dict = cell.get_all_materials()
# material = material_dict[list(material_dict.keys())[0]]
# mat_name = material.name
# for new_mat in materials:
# if new_mat.name == mat_name:
# print(new_mat.get_nuclides(), material.get_nuclides())
# Add zero dens nuclide for each material
def add_zero_dens_nuclides(self, cell):
material_dict = cell.get_all_materials()
material = material_dict[list(material_dict.keys())[0]]
init_nucl = material.get_nuclides()
cell_name = cell.name
mat_name = material.name
# Not sure if this is necessary
if self.selected_bucells_nucl_list_dict != {}:
if cell_name in self.selected_bucells_nucl_list_dict:
nucl_list_input = self.selected_bucells_nucl_list_dict[cell_name]
if nucl_list_input == 'initial nuclides':
nucl_list = init_nucl
elif nucl_list_input == 'NAX':
NAX_nucl_list_name = utils.zamid_list_to_name_list(data.NAX_nucl_list)
NAX_nucl_list_name_new_format = utils.bu_namelist_to_mc_namelist(NAX_nucl_list_name)
# I add init_nucl because I believe it is important for init nuclides to be tallied
# Their density is usually high enough that their change can influence spectrum etc...
nucl_list = [x for x in NAX_nucl_list_name_new_format if x in self.MC_XS_nucl_list] + init_nucl
# Here we remove the potential duplicates
nucl_list = list(dict.fromkeys(nucl_list))
else:
nucl_list = nucl_list_input
else:
nucl_list = self.MC_XS_nucl_list
#nucl_list = utils.bu_namelist_to_mc_namelist(nucl_list)
else:
nucl_list = self.MC_XS_nucl_list
if not utils.is_lista_in_listb(init_nucl, nucl_list):
raise Initial_nuclides_not_in_nuclide_list('Some initial nuclides in cell {} material {} are not included in nucl_list'.format(cell_name, mat_name))
for nucl in nucl_list:
if nucl not in init_nucl:
material.add_nuclide(nucl, self.zero_dens_1_atm)
# Material is rename 'cell name' + 'mat'
# New material id is 'mat id' + 'cell id'
material.name = '{} mat'.format(cell_name)
material.id = int('{}{}'.format(material.id, cell.id))
@property
def sequence(self):
return self._sequence
@sequence.setter
def sequence(self, sequence):
self._sequence = sequence
def set_sequence(self, sequence):
self.sequence = sequence
system = self.system
system.set_sequence(sequence, mode = 'couple')
# Add zero dens nuclide for each cell
# Sort of complicated
# Will deal with that later
# def add_zero_dens_nuclides(self, root_cell, nucl_list_dict):
# cell_dict = root_cell.get_all_cells()
# for cell_id in cell_dict:
# cell = cell_dict[cell_id]
# material_dict = cell.get_all_materials()
# material = copy.deepcopy(material_dict[material_dict.key()[0]])
# init_nucl = material.get_nuclides()
# nucl_list = nucl_list_dict[cell_id]
# nucl_list = utils.bu_namelist_to_mc_namelist(nucl_list)
# if not is_lista_in_listb(init_nucl, nucl_list):
# raise Initial_nuclides_not_in_nuclide_list('Some initial nuclides of material {} are not included in nucl_list'.format(mat_id))
# for nucl in nucl_list:
# if nucl not in init_nucl:
# material.add_nuclide(nucl, 1E-22)
@property
def init_nucl_dict(self):
return self._init_nucl_dict
# Create a dict with initial nuclides of each cell before
# cell material is added 1 atm nuclides
def set_init_nucl_dict(self, root_cell):
cell_dict = root_cell.get_all_cells()
init_nucl_dict = {}
for cell_id in cell_dict:
cell = cell_dict[cell_id]
material_dict = cell.get_all_materials()
material = material_dict[list(material_dict.keys())[0]]
init_nucl = material.get_nuclides()
init_nucl_dict[cell_id] = init_nucl
self._init_nucl_dict = init_nucl_dict
# # If no nucl list has been defined, nucl_list_dict = init_nucl
# if self.nucl_list_dict == None:
# self.nucl_list_dict = self.init_nucl_dict
# Use init_nucl_dict and distribute init_nucl to each bucell
def set_init_nucl(self, cell_dict, bucell_dict):
init_nucl_dict = self.init_nucl_dict
for bucell_id in bucell_dict:
bucell = bucell_dict[bucell_id]
bucell.init_nucl = init_nucl_dict[bucell_id]
@property
def MC_XS_nucl_list(self):
return self._MC_XS_nucl_list
@MC_XS_nucl_list.setter
def MC_XS_nucl_list(self, MC_XS_nucl_list):
self._MC_XS_nucl_list = MC_XS_nucl_list
def set_MC_XS_nucl_list(self):
#path_to_xs_xml = os.environ['OPENMC_CROSS_SECTIONS']
path_to_xs_xml = self._cross_sections_path + '/cross_sections.xml'
self.MC_XS_nucl_list = []
tree = ET.parse(path_to_xs_xml)
root = tree.getroot()
for child in root:
if child.attrib['type'] == 'neutron':
self._MC_XS_nucl_list.append(child.attrib['materials'])
# Remove trouble makers that appears in JEFF32 cross section
# For some reason, OpenMC can't find these nuclides in jeff lib at 800K
# self._MC_XS_nucl_list.remove('Cu63')
# self._MC_XS_nucl_list.remove('Cu65')
# self._MC_XS_nucl_list.remove('Mn55')
# # THose are not handled by OpenBU
# self._MC_XS_nucl_list.remove('C0')
# self._MC_XS_nucl_list.remove('V0')
# self._MC_XS_nucl_list.remove('Zn0')
# Remove trouble makers that appears in ENDFVIII cross section
# For some reason, OpenMC can't find these nuclides in jeff lib at 800K
# self._MC_XS_nucl_list.remove('Cu63')
# self._MC_XS_nucl_list.remove('Cu65')
# self._MC_XS_nucl_list.remove('Mn55')
# # THose are not handled by OpenBU
try:
self._MC_XS_nucl_list.remove('C0')
except ValueError:
pass
try:
self._MC_XS_nucl_list.remove('V0')
except ValueError:
pass
try:
self._MC_XS_nucl_list.remove('Zn0')
except ValueError:
pass
# When volume is passed from OpenMC to OpenBU
def pass_vol(self, cell_dict, bucell_dict):
# Need to loop over bucell_dict because there might be more cells than bucells
for i in bucell_dict:
cell = cell_dict[i]
cell_volume = cell.volume
bucell = bucell_dict[i]
bucell.vol = cell_volume
# root_cell is not in bucell_dict but it contains the info on the total volume
# Here, the total volume is set to system
system = self.system
system.total_vol = self.root_cell.volume
# When volume is set directly by user
# Right now this should bet set after import openmc as it overwrites volume calculated by openmc
def set_vol(self, vol_dict):
system = self.system
bucell_dict = system.bucell_dict
# Need to loop over bucell_dict because there might be more cells than bucells
for i in bucell_dict:
bucell = bucell_dict[i]
if bucell.name in vol_dict:
bucell.vol = vol_dict[bucell.name]
# We treat total volume separately
system.total_vol = vol_dict['total volume']
self._volume_set = 'yes'
def pass_nuclide_densities(self, cell_dict, bucell_dict):
for i in bucell_dict:
bucell = bucell_dict[i]
cell = cell_dict[i]
#init_nucl = self.init_nucl_dict[i]
init_nucl = bucell.init_nucl
materials = cell.get_all_materials()
openmc_dens_dict = materials[list(materials.keys())[0]].get_nuclide_atom_densities()
openbu_dens_dict = {}
for nucl in openmc_dens_dict:
#OpenMC xs has cross section for element carbon and Vanadinium (C0, V0) only. OpenBU can't handle that
if nucl == 'C0' or nucl == 'V0':
continue
openbu_nucl = utils.openmc_name_to_openbu_name(nucl)
# if nucl is one of the initial non-zero initial nuclide, pass the density
if nucl in init_nucl:
openbu_dens_dict[openbu_nucl] = openmc_dens_dict[nucl][1]
# if nucl is not one of the non-zero initial nuclide, set densiy to zero
else:
openbu_dens_dict[openbu_nucl] = 0.0
bucell = bucell_dict[i]
bucell.set_initial_dens(openbu_dens_dict)
def get_bucell_from_cell(self):
root_cell = self.root_cell
bucell_dict = {}
cell_dict = root_cell.get_all_cells()
for i in cell_dict:
cell = cell_dict[i]
cell_name = cell.name
if cell_name in self.selected_bucells_name_list:
bucell_dict[i] = Cell(i, cell_name)
self.set_init_nucl(cell_dict, bucell_dict)
self.pass_vol(cell_dict, bucell_dict)
self.pass_nuclide_densities(cell_dict, bucell_dict)
return bucell_dict
def get_flux_tally(self, bucell):
flux = openmc.Tally(name='{} flux'.format(bucell.name))
flux.filters = [openmc.CellFilter(bucell.id)]
flux.filters.append(self.energy_bin)
flux.scores = ['flux']
return flux
def get_flux_spectrum_tally(self, bucell):
flux_spectrum = openmc.Tally(name='{} flux spectrum'.format(bucell.name))
flux_spectrum.filters = [openmc.CellFilter(bucell.id)]
flux_spectrum.filters.append(self.mg_energy_bin)
flux_spectrum.scores = ['flux']
return flux_spectrum
# Every nuclide presents in cell material will have its tally taken
def get_all_nucl_rxn_tally(self, bucell):
nucl_list = self.get_nucl_to_be_tallied(bucell)
print ('bucell name',bucell.name)
print ('nucl list when set to tally',nucl_list)
nucl_list = utils.bu_namelist_to_mc_namelist(nucl_list)
rxn = openmc.Tally(name='{} rxn rate'.format(bucell.name))
rxn.filters = [openmc.CellFilter(bucell.id)]
rxn.filters.append(self.energy_bin)
rxn.scores = ['fission', '(n,gamma)', '(n,2n)', '(n,3n)', '(n,p)', '(n,a)']
#rxn.scores = ['fission', '(n,gamma)']
#rxn.scores = ['fission', '(n,gamma)', '(n,2n)']
rxn.nuclides = nucl_list
return rxn
def export_material_to_xml(self):
# Collect materials from each cells and put them into a materials object
materials = openmc.Materials()
root_cell = self.root_cell
cell_dict = root_cell.get_all_cells()
# When different cells have the same material, the material should not be
# counted twice
id_list = []
for cell_id in cell_dict:
cell = cell_dict[cell_id]
material_dict = cell.get_all_materials()
material = material_dict[list(material_dict.keys())[0]]
if material.id not in id_list:
materials.append(material)
id_list.append(material.id)
# If the input materials.xml file is in cwd, remove it
try:
os.remove(os.getcwd() + '/materials.xml')
except OSError:
pass
# Set the cross section path again to materials
materials.cross_sections = self._cross_sections_path +'/cross_sections.xml'
materials.export_to_xml()
def export_geometry_to_xml(self):
# Collect each cells and put them into a geometry object
# Need to re-instantiate a universe that will be filled with the modified root cell
root_universe = self._root_universe
geometry = openmc.Geometry(root_universe)
region = self.root_cell.region
#print (region.get_surfaces())
for surface_id in region.get_surfaces():
surface = region.get_surfaces()[surface_id]
#quit()
# If the input materials.xml file is in cwd, remove it
try:
os.remove(os.getcwd() + '/geometry.xml')
except OSError:
pass
geometry.export_to_xml()
def export_tallies_to_xml(self):
system = self.system
bucell_dict = system.bucell_dict
tallies = openmc.Tallies()
for bucell_id in bucell_dict:
bucell = bucell_dict[bucell_id]
flux = self.get_flux_tally(bucell)
flux_spectrum = self.get_flux_spectrum_tally(bucell)
rxn = self.get_all_nucl_rxn_tally(bucell)
tallies.append(flux)
tallies.append(flux_spectrum)
tallies.append(rxn)
# If the input tallies.xml file is in cwd, remove it
try:
os.remove(os.getcwd() + '/tallies.xml')
except OSError:
pass
tallies.export_to_xml()
# settings.xml as provided by the user is read
# It is then modified and set to couple
# Since it will not change during the simulation, it is not going
# to be modified again
@property
def settings(self):
return self._settings
def _read_user_settings(self):
system = self.system
MC_input_path = self.MC_input_path
file_path = MC_input_path + '/settings.xml'
tree = ET.parse(file_path)
root = tree.getroot()
settings = openmc.Settings()
for child in root:
if child.tag == 'particles':
settings.particles = int(child.text)
self.partices = int(child.text)
if child.tag == 'batches':
settings.batches = int(child.text)
self.batches = int(child.text)
if child.tag == 'inactive':
settings.inactive = int(child.text)
self.inactive = int(child.text)
settings.output = {'tallies': False}
settings.temperature = {'method': 'interpolation'}
ll = self.bounding_box[0]
ur = self.bounding_box[1]
#uniform_dist = openmc.stats.Box(ll, ur, only_fissionable=True)
point = openmc.stats.Point(xyz=(0.0, 0.0, 0.0))
settings.source = openmc.source.Source(space=point)
# To reduce the size of the statepoint file
settings.sourcepoint['write'] = False
self._settings = settings
# the setting file created by the user should be stored somewhere
def export_settings_to_xml(self):
settings = self.settings
# If the input settings.xml file is in cwd, remove it
try:
os.remove(os.getcwd() + '/settings.xml')
except OSError:
pass
settings.export_to_xml()
@property
def particles(self):
return self._particles
@particles.setter
def particles(self, particles):
self._particles = particles
@property
def batches(self):
return self._batches
@batches.setter
def batches(self, batches):
self._batches = batches
@property
def inactive(self):
return self._inactive
@inactive.setter
def inactive(self, inactive):
self._inactive = inactive
@property
def openmc_bin_path(self):
return self._openmc_bin_path
@openmc_bin_path.setter
def openmc_bin_path(self, openmc_bin_path):
self._openmc_bin_path = openmc_bin_path
def run_openmc(self):
# New material xml file needs to be written with zero dens nuclides
self.export_material_to_xml()
# New geometry xml file needs to be written with new materials id
self.export_geometry_to_xml()
# Tallies xml files needs to be writen
self.export_tallies_to_xml()
# Settings xml files needs to be written
self.export_settings_to_xml()
#openmc_bin_path = '/tigress/jdtdl/openmc/py3-mpi-190324/bin/openmc'
#openpc_bin_path = '/tigress/mkutt/openmc/py3-mpi/bin/openmc'
if self.MPI == 'on':
openmc.run(mpi_args=[self._exec, '-n', self._tasks], openmc_exec = self.openmc_bin_path)
else:
openmc.run(openmc_exec = self.openmc_bin_path)
self._set_statepoint()
self._set_updated_summary()
# Append the new kinf to system sequence
self._set_kinf()
# This method set decay_lib_set to yes
# It can be used when the user does not want the system to be set any decay data
def no_decay(self):
self._decay_lib_set = 'yes'
def set_decay_lib(self, decay_lib_path):
system = self.system
self._decay_lib_set = 'yes'
self._decay_lib_path = decay_lib_path
system.set_decay_for_all(decay_lib_path)
def set_default_decay_lib(self):
system = self.system
self._decay_lib_set = 'yes'
#system.set_default_decay_for_all_no_add()
self._decay_lib_path = 'default'
system.set_default_decay_for_all()
def set_decay_from_object(self, bucell, object):
system = self.system
# This should not set yes since it is only for one bucell
# Need to be fixed later
self._decay_lib_set = 'yes'
bucell = system.get_bucell(bucell)
bucell.set_decay(object)
def set_xs_lib(self, xs_lib_path):
system = self.system
self._xs_lib_set = 'yes'
system.set_xs_for_all(xs_lib_path)
def set_default_xs_lib(self):
system = self.system
self._xs_lib_set = 'yes'
#system.set_default_decay_for_all_no_add()
system.set_default_xs_for_all()
def set_fy_lib(self, fy_lib_path):
system = self.system
self._fy_lib_set = 'yes'
self._fy_lib_path = fy_lib_path
system.set_fy_for_all(fy_lib_path)
def set_default_fy_lib(self):
system = self.system
self._fy_lib_set = 'yes'
self._fy_lib_path = 'default'
#system.set_default_fy_for_all_no_add()
system.set_default_fy_for_all()
def set_fy_from_object(self, bucell, object):
system = self.system
# This should not set yes since it is only for one bucell
# Need to be fixed later
self._fy_lib_set = 'yes'
bucell = system.get_bucell(bucell)
bucell.set_fy(object)
# This method reads, samples the isomeric branching data and xs data
# using the mg energy bin mid points data and fold them together
# def fold_sampled_isomeric_xs_data(self):
# sampled_iso_data = self.get_sampled_isomeric_branching_data()
# sampled_xs_data = self.get_sampled_ng_cross_section_data()
# iso_xs_data = {}
# for nucl in sampled_iso_data:
# iso_data = sampled_iso_data[nucl]
# xs_data = sampled_xs_data[nucl]
# iso_xs_data[nucl] = {}
# iso_xs_data[nucl]['0'] = [x*y for x,y in zip(iso_data['0'], xs_data)]
# iso_xs_data[nucl]['1'] = [x*y for x,y in zip(iso_data['1'], xs_data)]
# self._iso_xs_data = iso_xs_data
def set_sampled_isomeric_branching_data(self):
print ('\n\n\n***********Sampling isomeric branching data***********\n\n\n')
isomeric_branching_data = data.read_isomeric_data()
sampled_isomeric_branching_data = {}
for nucl in isomeric_branching_data:
nucl_data = isomeric_branching_data[nucl]
# print (nucl_data['0'])
sampled_isomeric_branching_data[nucl] = {}
sampled_isomeric_branching_data[nucl]['0'] = nucl_data['0'](self.mg_energy_mid_points)
sampled_isomeric_branching_data[nucl]['1'] = nucl_data['1'](self.mg_energy_mid_points)
self._sampled_isomeric_branching_data = sampled_isomeric_branching_data
# This method reads and samples the point-wise cross section for ng of the nuclides that
# have ng isomeric branching data only
def set_sampled_ng_cross_section_data(self):
print ('\n\n\n***********Sampling point-wise cross section data***********\n\n\n')
sampled_isomeric_branching_data = self._sampled_isomeric_branching_data
sampled_ng_cross_section_data = {}
cross_section_path = self._cross_sections_path
cross_sections_files_name = os.listdir(cross_section_path)
total_count = 1
file_name_list = []
for file_name in cross_sections_files_name:
nucl_name = file_name.replace('.h5', '')
if nucl_name in sampled_isomeric_branching_data:
total_count += 1
file_name_list.append(file_name)
start = time.time()
count = 1
for file_name in file_name_list:
nucl_name = file_name.replace('.h5', '')
if nucl_name in ['Pm147', 'Am241']: # make it a shorter
nucl_path = cross_section_path+'/{}'.format(file_name)
xs_data = openmc.data.IncidentNeutron.from_hdf5(nucl_path)
ng_xs_data = xs_data[102].xs['294K']
print ('--- Sampling {} (n,gamma) point-wise cross section --- [{}/{}]'.format(nucl_name, count, total_count))
sampled_ng_xs_data = ng_xs_data(self.mg_energy_mid_points)
sampled_ng_cross_section_data[nucl_name] = sampled_ng_xs_data
count += 1
end = time.time()
print('\n Time to sample cross sections: {}'.format(end - start))
self._sampled_ng_cross_section_data = sampled_ng_cross_section_data
def set_tallies_to_bucells(self, s):
system = self.system
bucell_dict = system.bucell_dict
sp = self.statepoint
summary = self.updated_summary
xs_mode = self.xs_mode
sampled_isomeric_branching_data = self._sampled_isomeric_branching_data
sampled_ng_cross_section_data = self._sampled_ng_cross_section_data
for bucell_id in bucell_dict:
bucell = bucell_dict[bucell_id]
# densities from OpenMC are extracted
# This is for nuclides which are zero in OpenBU but set to 1E-24 in OpenMC
# 1E-24 fraction percent does not translate into 1E-24 atm/cm3 always
# Therefore, the code needs to divide the reaction rate by the correct densities
# taken from summary.geometry.cell.material
cell = summary.geometry.get_cells_by_name(bucell.name)[0]
material_dict = cell.get_all_materials()
material = material_dict[list(material_dict.keys())[0]]
mc_nuclides_densities = material.get_nuclide_atom_densities()
flux_tally = sp.get_tally(name = '{} flux'.format(bucell.name))
flux_spectrum_tally = sp.get_tally(name = '{} flux spectrum'.format(bucell.name))
rxn_rate_tally = sp.get_tally(name = '{} rxn rate'.format(bucell.name))
bucell._set_MC_tallies(mc_nuclides_densities, flux_tally, flux_spectrum_tally, rxn_rate_tally, sampled_isomeric_branching_data, sampled_ng_cross_section_data, xs_mode, s)
# YOU NEED TO CREATE LIST TO STORE EACH NEW XS
# Normalize the flux in each cell with the FMF after each openmc calculation
# Calculate the power of each cell from the normalized flux
def step_normalization(self, s):
system = self.system
sequence = self.sequence
FMF = sequence.get_FMF1(system, s)
bucell_list = system.get_bucell_list()
for bucell in bucell_list:
bucell_sequence = bucell.sequence
MC_flux = bucell_sequence.current_MC_flux
# MC_flux is volume integrated (unit cm.sp
# FMF is in sp.s
# to have flux in cm.s you need to divide by volule of the cell
flux = FMF*MC_flux/bucell.vol
pow_dens = bucell._update_pow_dens(flux)
print ('initial', pow_dens)
bucell_sequence._set_macrostep_flux(flux)
bucell_sequence._set_macrostep_pow_dens(pow_dens)
# Normalize the flux in each cell with the FMF after each openmc calculation
# Calculate the power of each cell from the normalized flux
def initial_couple_step_normalization(self, norma_mode):
system = self.system
sequence = self.sequence
FMF = sequence.get_FMF1(system, 0)
bucell_list = system.get_bucell_list()
for bucell in bucell_list:
bucell_sequence = bucell.sequence
MC_flux = bucell_sequence.current_MC_flux
flux = FMF*MC_flux
pow_dens = bucell._update_pow_dens(flux)
bucell_sequence._set_initial_flux(flux)
bucell_sequence._set_initial_pow_dens(pow_dens)
def copy_MC_files(self, s):
step_folder = '/step_{}'.format(s)
openmc_file_path = os.getcwd()+step_folder+'/OpenMC'
os.mkdir(openmc_file_path)
all_MC_files = glob.glob('*.xml') + glob.glob('tallies.out') + glob.glob('*.h5')
for file_name in all_MC_files:
try:
shutil.copyfile(os.getcwd()+'/{}'.format(file_name), openmc_file_path + '/{}'.format(file_name))
except IOError:
continue
for file_name in all_MC_files:
os.remove(os.getcwd() + '/{}'.format(file_name))
def set_dens_to_cells(self):
summary = self.initial_summary
system = self.system
bucell_dict = system.bucell_dict
for bucell_id in bucell_dict:
bucell = bucell_dict[bucell_id]
tally_nucl_list = utils.mc_namelist_to_bu_namelist(self.get_nucl_to_be_tallied(bucell))
cell = summary.geometry.get_cells_by_name(bucell.name)[0]
material_dict = cell.get_all_materials()
material = material_dict[list(material_dict.keys())[0]]
### WARNING Openmc add_nuclide in atom percent is not in absolute atom percent
### but in relative ao, i.e., setting U235 and U238 to 0.34 and 0.34 will be the same
### as setting them to 50% and 50 %
### Therefore the ao value that needs to be updated needs to be normalize by the tot dens of
### only the nuclides to be tallied and not by the total dens of all nuclide in bucell
tally_nucl_list_dens = bucell.get_subtotal_dens_counting_zero_dens(tally_nucl_list)
material.set_density('atom/b-cm', tally_nucl_list_dens)
for nucl in tally_nucl_list:
openmc_nucl_name = utils.openbu_name_to_openmc_name(nucl)
material.remove_nuclide(openmc_nucl_name)
# No need to calculate ao, just directly give density
#nucl_subao = bucell.get_nucl_subao(nucl, tally_nucl_list)
nucl_dens = bucell.get_nucl_dens_for_openmc(nucl)
material.add_nuclide(openmc_nucl_name, nucl_dens)
def set_MC_XS_nuc_list_to_bucells(self):
system = self.system
bucell_dict = system.bucell_dict
MC_XS_nucl_list = self.MC_XS_nucl_list
MC_XS_nucl_list_obu_name = utils.mc_namelist_to_bu_namelist(MC_XS_nucl_list)
MC_XS_nucl_list_zamid = utils.name_list_to_zamid_list(MC_XS_nucl_list_obu_name)
for bucell_id in bucell_dict:
bucell = bucell_dict[bucell_id]
bucell.MC_XS_nucl_list = MC_XS_nucl_list_zamid
def burn(self):
start_time = time.time()
# If no decay libs and fy libs have been set, set default libs
if self._decay_lib_set == 'no':
self.set_default_decay_lib()
print ('\n\n\n---- Default decay constants library set for system ----\n---- {} ----'.format(data.default_decay_b_lib_path))
else:
print ('\n\n\n---- User defined path for decay library ----\n\n')
print ('---- {} ----\n\n\n'.format(self._decay_lib_path))
if self._fy_lib_set == 'no':
self.set_default_fy_lib()
print ('\n\n\n---- Default fission yields library set for system ----\n---- {} ----'.format(data.default_fy_lib_path))
else:
print ('\n\n\n---- User defined path for fission yields library ----\n\n')
print ('---- {} ----\n\n\n'.format(self._fy_lib_path))
#print (self.xs_mode, self._xs_lib_set)
if self.xs_mode == 'constant lib' and self._xs_lib_set == 'no':
self.set_default_xs_lib()
print ('\n\n\n----Default cross section library set for system----\n\n\n')
else:
# This method simply pass the MC_XS_nucl_list to each cell so that each cell
# can then build it own lib_nucl_list
self.set_MC_XS_nuc_list_to_bucells()
print ('\n\n\n---- Path for cross sections library ----\n\n')
print ('---- {} ----\n\n\n'.format(self._cross_sections_path))
self.set_sampled_isomeric_branching_data()
self.set_sampled_ng_cross_section_data()
system = self.system
sequence = system.sequence
norma_mode = sequence.norma_unit
# Check consistency of nuclides list &
# Generate leaves for each cell
# I attempted to update set_all_leaves in order to be able to
# sort out nuclides and reduce nuclide set
# But it is too complicated and risk to break the code
bucell_list = system.get_bucell_list()
for bucell in bucell_list:
# Check if different nuclide list (initial list, lib list and nucl set (user defined set of nuclides to be considered))
# are consistent with each other
bucell._check_nucl_list_consistency()
# Create a list of all nuclides that should be produced, i.e., that belong to the network tree
#bucell._reduce_nucl_set()
# This should be somewhere else but for now it is done here
system.zam_order_passlist()
#steps_number = sequence.steps_number
steps_number = sequence.macrosteps_number
# Shift loop from 1 in order to align loop s and step indexes
for s in range(1, steps_number+1):
print ('\n\n\n\n====== STEP {}======\n\n\n\n'.format(s))
sequence.gen_step_folder(s)
print (('\n\n\n=== OpenMC Transport {}===\n\n\n'.format(s)))
self.run_openmc()
self.set_tallies_to_bucells(s)
self.step_normalization(s)
self.copy_MC_files(s)
print (('\n\n\n=== Salameche Burn {}===\n\n\n'.format(s)))
salameche.burn_step(system, s, 'couple')
self.set_dens_to_cells()
# This last openmc_run is used to compute the last burnup/time point kinf
print ('\n\n\n=== OpenMC Transport for Final Point===\n\n\n')
self.run_openmc()
system._gen_output_summary_folder()
system._print_summary_allreacs_rank()
system._print_summary_subdens()
system._print_summary_dens()
system._print_summary_xs()
system._print_summary_flux_spectrum(self.mg_energy)
system._print_summary_kinf()
system._print_summary_param()
system._print_summary_isomeric_branching_ratio()
run_time = time.time() - start_time
print ('\n\n\n >>>>>> OpenBU burn took {} seconds <<<<<<< \n\n\n'.format(run_time))
def _build_openmc(self):
"""Generate the OpenMC input XML
"""
# Directory from which openmc is run
os.makedirs('openmc', exist_ok=True)
# Define material
mat = openmc.Material()
for nuclide, fraction in self.nuclides:
mat.add_nuclide(nuclide, fraction)
mat.set_density('g/cm3', self.density)
materials = openmc.Materials([mat])
materials.export_to_xml(os.path.join('openmc', 'materials.xml'))
# Instantiate surfaces
cyl = openmc.XCylinder(boundary_type='vacuum', R=1.e-6)
px1 = openmc.XPlane(boundary_type='vacuum', x0=-1.)
px2 = openmc.XPlane(boundary_type='transmission', x0=1.)
px3 = openmc.XPlane(boundary_type='vacuum', x0=1.e9)
# Instantiate cells
inner_cyl_left = openmc.Cell()
inner_cyl_right = openmc.Cell()
outer_cyl = openmc.Cell()
# Set cells regions and materials
inner_cyl_left.region = -cyl & +px1 & -px2
inner_cyl_right.region = -cyl & +px2 & -px3
outer_cyl.region = ~(-cyl & +px1 & -px3)
inner_cyl_right.fill = mat
# Create root universe and export to XML
geometry = openmc.Geometry(
[inner_cyl_left, inner_cyl_right, outer_cyl])
geometry.export_to_xml(os.path.join('openmc', 'geometry.xml'))
# Define source
source = openmc.Source()
source.space = openmc.stats.Point((0, 0, 0))
source.angle = openmc.stats.Monodirectional()
source.energy = openmc.stats.Discrete([self.energy], [1.])
source.particle = 'neutron'
# Settings
settings = openmc.Settings()
settings.source = source
settings.particles = self.particles
settings.run_mode = 'fixed source'
settings.batches = 1
settings.photon_transport = True
settings.electron_treatment = self.electron_treatment
settings.cutoff = {'energy_photon': 1000.}
settings.export_to_xml(os.path.join('openmc', 'settings.xml'))
# Define filters
surface_filter = openmc.SurfaceFilter(cyl)
particle_filter = openmc.ParticleFilter('photon')
energy_bins = np.logspace(3, np.log10(2 * self.energy), 500)
energy_filter = openmc.EnergyFilter(energy_bins)
# Create tallies and export to XML
tally = openmc.Tally(name='photon current')
tally.filters = [surface_filter, energy_filter, particle_filter]
tally.scores = ['current']
tallies = openmc.Tallies([tally])
tallies.export_to_xml(os.path.join('openmc', 'tallies.xml'))
settings_file.source = openmc.source.Source(space=uniform_dist) entropy_mesh = openmc.RegularMesh() entropy_mesh.lower_left = [-entropy_mesh_value, -entropy_mesh_value, -1.e50] entropy_mesh.upper_right = [entropy_mesh_value, entropy_mesh_value, 1.e50] entropy_mesh.dimension = [10, 10, 1] settings_file.entropy_mesh = entropy_mesh settings_file.export_to_xml() ############################################################################### # Exporting to OpenMC tallies.xml file ############################################################################### tallies_file = openmc.Tallies() energy_filter = openmc.EnergyFilter([0., 0.625, 20.0e6]) # Instantiate flux Tally in moderator and fuel tally = openmc.Tally(name='flux') tally.filters = [openmc.CellFilter([fuel, water])] tally.filters.append(energy_filter) tally.scores = ['flux'] tallies_file.append(tally) # Instantiate reaction rate Tally in fuel tally = openmc.Tally(name='fuel rxn rates') tally.filters = [openmc.CellFilter(fuel)] tally.filters.append(energy_filter) tally.scores = ['nu-fission', 'scatter'] tally.nuclides = ['U238', 'U235'] tallies_file.append(tally)
def model():
openmc.reset_auto_ids()
model = openmc.Model()
# materials (M4 steel alloy)
m4 = openmc.Material()
m4.set_density('g/cc', 2.3)
m4.add_nuclide('H1', 0.168018676)
m4.add_nuclide("H2", 1.93244e-05)
m4.add_nuclide("O16", 0.561814465)
m4.add_nuclide("O17", 0.00021401)
m4.add_nuclide("Na23", 0.021365)
m4.add_nuclide("Al27", 0.021343)
m4.add_nuclide("Si28", 0.187439342)
m4.add_nuclide("Si29", 0.009517714)
m4.add_nuclide("Si30", 0.006273944)
m4.add_nuclide("Ca40", 0.018026179)
m4.add_nuclide("Ca42", 0.00012031)
m4.add_nuclide("Ca43", 2.51033e-05)
m4.add_nuclide("Ca44", 0.000387892)
m4.add_nuclide("Ca46", 7.438e-07)
m4.add_nuclide("Ca48", 3.47727e-05)
m4.add_nuclide("Fe54", 0.000248179)
m4.add_nuclide("Fe56", 0.003895875)
m4.add_nuclide("Fe57", 8.99727e-05)
m4.add_nuclide("Fe58", 1.19737e-05)
s0 = openmc.Sphere(r=240)
s1 = openmc.Sphere(r=250, boundary_type='vacuum')
c0 = openmc.Cell(fill=m4, region=-s0)
c1 = openmc.Cell(region=+s0 & -s1)
model.geometry = openmc.Geometry([c0, c1])
# settings
settings = model.settings
settings.run_mode = 'fixed source'
settings.particles = 500
settings.batches = 2
settings.max_splits = 100
settings.photon_transport = True
space = Point((0.001, 0.001, 0.001))
energy = Discrete([14E6], [1.0])
settings.source = openmc.Source(space=space, energy=energy)
# tally
mesh = openmc.RegularMesh()
mesh.lower_left = (-240, -240, -240)
mesh.upper_right = (240, 240, 240)
mesh.dimension = (3, 5, 7)
mesh_filter = openmc.MeshFilter(mesh)
e_bnds = [0.0, 0.5, 2E7]
energy_filter = openmc.EnergyFilter(e_bnds)
particle_filter = openmc.ParticleFilter(['neutron', 'photon'])
tally = openmc.Tally()
tally.filters = [mesh_filter, energy_filter, particle_filter]
tally.scores = ['flux']
model.tallies.append(tally)
return model
def _build_inputs(self):
# Instantiate some Materials and register the appropriate Nuclides
uo2 = openmc.Material(name='UO2 fuel at 2.4% wt enrichment')
uo2.set_density('g/cc', 10.0)
uo2.add_nuclide('U238', 1.0)
uo2.add_nuclide('U235', 0.02)
uo2.add_nuclide('O16', 2.0)
borated_water = openmc.Material(name='Borated water')
borated_water.set_density('g/cm3', 1)
borated_water.add_nuclide('B10', 10e-5)
borated_water.add_nuclide('H1', 2.0)
borated_water.add_nuclide('O16', 1.0)
# Instantiate a Materials collection and export to XML
materials_file = openmc.Materials([uo2, borated_water])
materials_file.export_to_xml()
# Instantiate ZCylinder surfaces
fuel_or = openmc.ZCylinder(surface_id=1,
x0=0,
y0=0,
r=1,
name='Fuel OR')
left = openmc.XPlane(surface_id=2, x0=-2, name='left')
right = openmc.XPlane(surface_id=3, x0=2, name='right')
bottom = openmc.YPlane(y0=-2, name='bottom')
top = openmc.YPlane(y0=2, name='top')
left.boundary_type = 'vacuum'
right.boundary_type = 'reflective'
top.boundary_type = 'reflective'
bottom.boundary_type = 'reflective'
# Instantiate Cells
fuel = openmc.Cell(name='fuel')
water = openmc.Cell(name='water')
# Use surface half-spaces to define regions
fuel.region = -fuel_or
water.region = +fuel_or & -right & +bottom & -top
# Register Materials with Cells
fuel.fill = uo2
water.fill = borated_water
# Instantiate pin cell Universe
pin_cell = openmc.Universe(name='pin cell')
pin_cell.add_cells([fuel, water])
# Instantiate root Cell and Universe
root_cell = openmc.Cell(name='root cell')
root_cell.region = +left & -right & +bottom & -top
root_cell.fill = pin_cell
root_univ = openmc.Universe(universe_id=0, name='root universe')
root_univ.add_cell(root_cell)
# Instantiate a Geometry, register the root Universe
geometry = openmc.Geometry(root_univ)
geometry.export_to_xml()
# Instantiate a Settings object, set all runtime parameters
settings_file = openmc.Settings()
settings_file.batches = 10
settings_file.inactive = 0
settings_file.particles = 1000
#settings_file.output = {'tallies': True}
# Create an initial uniform spatial source distribution
bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:],\
only_fissionable=True)
settings_file.source = openmc.source.Source(space=uniform_dist)
settings_file.export_to_xml()
# Tallies file
tallies_file = openmc.Tallies()
# Create partial current tallies from fuel to water
# Filters
two_groups = [0., 4e6, 20e6]
energy_filter = openmc.EnergyFilter(two_groups)
polar_filter = openmc.PolarFilter([0, np.pi / 4, np.pi])
azimuthal_filter = openmc.AzimuthalFilter([0, np.pi / 4, np.pi])
surface_filter = openmc.SurfaceFilter([1])
cell_from_filter = openmc.CellFromFilter(fuel)
cell_filter = openmc.CellFilter(water)
# Use Cell to cell filters for partial current
cell_to_cell_tally = openmc.Tally(name=str('fuel_to_water_1'))
cell_to_cell_tally.filters = [cell_from_filter, cell_filter, \
energy_filter, polar_filter, azimuthal_filter]
cell_to_cell_tally.scores = ['current']
tallies_file.append(cell_to_cell_tally)
# Use a Cell from + surface filters for partial current
cell_to_cell_tally = openmc.Tally(name=str('fuel_to_water_2'))
cell_to_cell_tally.filters = [cell_from_filter, surface_filter, \
energy_filter, polar_filter, azimuthal_filter]
cell_to_cell_tally.scores = ['current']
tallies_file.append(cell_to_cell_tally)
# Create partial current tallies from water to fuel
# Filters
cell_from_filter = openmc.CellFromFilter(water)
cell_filter = openmc.CellFilter(fuel)
# Cell to cell filters for partial current
cell_to_cell_tally = openmc.Tally(name=str('water_to_fuel_1'))
cell_to_cell_tally.filters = [cell_from_filter, cell_filter, \
energy_filter, polar_filter, azimuthal_filter]
cell_to_cell_tally.scores = ['current']
tallies_file.append(cell_to_cell_tally)
# Cell from + surface filters for partial current
cell_to_cell_tally = openmc.Tally(name=str('water_to_fuel_2'))
cell_to_cell_tally.filters = [cell_from_filter, surface_filter, \
energy_filter, polar_filter, azimuthal_filter]
cell_to_cell_tally.scores = ['current']
tallies_file.append(cell_to_cell_tally)
# Create a net current tally on inner surface using a surface filter
surface_filter = openmc.SurfaceFilter([1])
surf_tally1 = openmc.Tally(name='net_cylinder')
surf_tally1.filters = [surface_filter, energy_filter, polar_filter, \
azimuthal_filter]
surf_tally1.scores = ['current']
tallies_file.append(surf_tally1)
# Create a net current tally on left surface using a surface filter
# This surface has a vacuum boundary condition, so leakage is tallied
surface_filter = openmc.SurfaceFilter([2])
surf_tally2 = openmc.Tally(name='leakage_left')
surf_tally2.filters = [surface_filter, energy_filter, polar_filter, \
azimuthal_filter]
surf_tally2.scores = ['current']
tallies_file.append(surf_tally2)
# Create a net current tally on right surface using a surface filter
# This surface has a reflective boundary condition, so the net current
# should be zero.
surface_filter = openmc.SurfaceFilter([3])
surf_tally3 = openmc.Tally(name='net_right')
surf_tally3.filters = [surface_filter, energy_filter]
surf_tally3.scores = ['current']
tallies_file.append(surf_tally3)
surface_filter = openmc.SurfaceFilter([3])
surf_tally3 = openmc.Tally(name='net_right')
surf_tally3.filters = [surface_filter, energy_filter]
surf_tally3.scores = ['current']
tallies_file.append(surf_tally3)
tallies_file.export_to_xml()
# Instantiate an empty Tallies object
tallies_file = openmc.Tallies()
# K-Eigenvalue (infinity) tallies
fiss_rate = openmc.Tally(name='fiss. rate')
fiss_rate.scores = ['nu-fission']
tallies_file.append(fiss_rate)
abs_rate = openmc.Tally(name='abs. rate')
abs_rate.scores = ['absorption']
tallies_file.append(abs_rate)
# Resonance Escape Probability tallies
therm_abs_rate = openmc.Tally(name='therm. abs. rate')
therm_abs_rate.scores = ['absorption']
therm_abs_rate.filters = [openmc.EnergyFilter([0., 0.625])]
tallies_file.append(therm_abs_rate)
# Thermal Flux Utilization tallies
fuel_therm_abs_rate = openmc.Tally(name='fuel therm. abs. rate')
fuel_therm_abs_rate.scores = ['absorption']
fuel_therm_abs_rate.filters = [
openmc.EnergyFilter([0., 0.625]),
openmc.CellFilter([fuel_cell])
]
tallies_file.append(fuel_therm_abs_rate)
# Fast Fission Factor tallies
therm_fiss_rate = openmc.Tally(name='therm. fiss. rate')
therm_fiss_rate.scores = ['nu-fission']
therm_fiss_rate.filters = [openmc.EnergyFilter([0., 0.625])]
def hexfunction(pitch, pack_frac):
settings = openmc.Settings()
# Set high tolerance to allow use of lower temperature xs
settings.temperature['tolerance'] = 1000
settings.temperature['method'] = 'nearest'
settings.temperature['multipole'] = True
settings.cutoff = {'energy': 1e-8} #energy cutoff in eV
#############################
### MATERIALS ###
#############################
enrichment = 20.0
uo2 = openmc.Material(1, "uo2")
uo2.add_element('U', 1.0, enrichment=enrichment)
uo2.add_element('O', 2.0)
uo2.set_density('g/cm3', 10.97)
uo2.temperature = 900 #kelvin
graphite = openmc.Material(2, "graphite")
graphite.set_density('g/cm3', 1.1995)
graphite.add_element('C', 1.0)
graphite.add_s_alpha_beta('c_Graphite')
graphite.temperature = 900 #kelvin
sodium = openmc.Material(3, "sodium")
sodium.set_density('g/cm3', 0.8017) # 900 K
sodium.add_element('Na', 1.0)
# sodium.add_s_alpha_beta('c_Graphite')
sodium.temperature = 900 #kelvin
naoh = openmc.Material(6, "naoh")
naoh.set_density('g/cm3', 1.5) # 900 K
naoh.add_element('Na', 1.0)
naoh.add_element('O', 1.0)
naoh.add_element('H', 1.0)
# sodium.add_s_alpha_beta('c_Graphite')
naoh.temperature = 900 #kelvin
uo2 = openmc.Material(1, "uo2")
uo2.add_element('U', 1.0, enrichment=enrichment)
uo2.add_element('O', 2.0)
uo2.set_density('g/cm3', 10.97)
uo2.temperature = 900 #kelvin
fuel_temp = 900
homogeneous_fuel = build_fuel_material(4, fuel_temp, pack_frac)
mats = openmc.Materials([uo2, graphite, sodium, naoh, homogeneous_fuel])
mats.export_to_xml()
#############################
### GEOMETRY ###
#############################
universe = openmc.Universe()
coolant_cyl = openmc.ZCylinder(R=0.5)
coolant_region = -coolant_cyl
coolant_cell = openmc.Cell(1, 'coolant')
coolant_cell.fill = naoh
coolant_cell.region = coolant_region
hex_prism = openmc.get_hexagonal_prism(edge_length=pitch / (3**1 / 2),
boundary_type='reflective')
top = openmc.YPlane(y0=pitch)
bottom = openmc.YPlane(y0=-pitch)
fuel_region = hex_prism & -top & +bottom
fuel_cell = openmc.Cell(2, 'moderator')
fuel_cell.fill = homogeneous_fuel
fuel_cell.region = fuel_region
root = openmc.Universe(cells=(fuel_cell, coolant_cell))
geom = openmc.Geometry(root)
geom.export_to_xml()
#####################################
### SOURCE/BATCHES ###
#####################################
point = openmc.stats.Point((0, 0, 0))
src = openmc.Source(space=point)
settings.source = src
settings.batches = 50
settings.inactive = 10
settings.particles = 200
settings.export_to_xml()
#############################
### TALLIES ###
#############################
# Instantiate an empty Tallies object
tallies_file = openmc.Tallies()
# K-Eigenvalue (infinity) tallies
fiss_rate = openmc.Tally(name='fiss. rate')
fiss_rate.scores = ['nu-fission']
tallies_file.append(fiss_rate)
abs_rate = openmc.Tally(name='abs. rate')
abs_rate.scores = ['absorption']
tallies_file.append(abs_rate)
# Resonance Escape Probability tallies
therm_abs_rate = openmc.Tally(name='therm. abs. rate')
therm_abs_rate.scores = ['absorption']
therm_abs_rate.filters = [openmc.EnergyFilter([0., 0.625])]
tallies_file.append(therm_abs_rate)
# Thermal Flux Utilization tallies
fuel_therm_abs_rate = openmc.Tally(name='fuel therm. abs. rate')
fuel_therm_abs_rate.scores = ['absorption']
fuel_therm_abs_rate.filters = [
openmc.EnergyFilter([0., 0.625]),
openmc.CellFilter([fuel_cell])
]
tallies_file.append(fuel_therm_abs_rate)
# Fast Fission Factor tallies
therm_fiss_rate = openmc.Tally(name='therm. fiss. rate')
therm_fiss_rate.scores = ['nu-fission']
therm_fiss_rate.filters = [openmc.EnergyFilter([0., 0.625])]
tallies_file.append(therm_fiss_rate)
tallies_file.export_to_xml()
#############################
### PLOTTING ###
#############################
p = openmc.Plot()
p.filename = 'pinplot'
p.width = (2 * pitch, 2 * pitch)
p.pixels = (200, 200)
p.color_by = 'material'
p.colors = {homogeneous_fuel: 'yellow', sodium: 'grey'}
plots = openmc.Plots([p])
plots.export_to_xml()
# openmc.plot_geometry(output = False)
openmc.plot_geometry()
pngstring = 'pinplot{}.png'.format(str(pitch))
subprocess.call(['convert', 'pinplot.ppm', pngstring])
subprocess.call(['mv', pngstring, 'figures/' + pngstring])
#############################
### EXECUTION ###
#############################
# openmc.run(output=False)
openmc.run()
sp = openmc.StatePoint('statepoint.{}.h5'.format(settings.batches))
# Collect all the tallies
fiss_rate = sp.get_tally(name='fiss. rate')
fiss_rate_df = fiss_rate.get_pandas_dataframe()
abs_rate = sp.get_tally(name='abs. rate')
abs_rate_df = abs_rate.get_pandas_dataframe()
therm_abs_rate = sp.get_tally(name='therm. abs. rate')
therm_abs_rate_df = therm_abs_rate.get_pandas_dataframe()
fuel_therm_abs_rate = sp.get_tally(name='fuel therm. abs. rate')
fuel_therm_abs_rate_df = fuel_therm_abs_rate.get_pandas_dataframe()
therm_fiss_rate = sp.get_tally(name='therm. fiss. rate')
therm_fiss_rate_df = therm_fiss_rate.get_pandas_dataframe()
# Compute k-infinity
kinf = fiss_rate / abs_rate
kinf_df = kinf.get_pandas_dataframe()
# Compute resonance escape probability
res_esc = (therm_abs_rate) / (abs_rate)
res_esc_df = res_esc.get_pandas_dataframe()
# Compute fast fission factor
fast_fiss = fiss_rate / therm_fiss_rate
fast_fiss_df = fast_fiss.get_pandas_dataframe()
# Compute thermal flux utilization
therm_util = fuel_therm_abs_rate / therm_abs_rate
therm_util_df = therm_util.get_pandas_dataframe()
# Compute neutrons produced per absorption
eta = therm_fiss_rate / fuel_therm_abs_rate
eta_df = eta.get_pandas_dataframe()
columns = [
'pitch', 'enrichment', 'kinf mean', 'kinf sd', 'res_esc mean',
'res_esc sd', 'fast_fiss mean', 'fast_fiss sd', 'therm_util mean',
'therm_util sd', 'eta mean', 'eta sd'
]
data = [[
pitch, enrichment, kinf_df['mean'][0], kinf_df['std. dev.'][0],
res_esc_df['mean'][0], res_esc_df['std. dev.'][0],
fast_fiss_df['mean'][0], fast_fiss_df['std. dev.'][0],
therm_util_df['mean'][0], therm_util_df['std. dev.'][0],
eta_df['mean'][0], eta_df['std. dev.'][0]
]]
all_tallies = pd.DataFrame(data, columns=columns)
return all_tallies
def create_neutronics_model(self, method: str = None):
"""Uses OpenMC python API to make a neutronics model, including tallies
(cell_tallies and mesh_tally_2d), simulation settings (batches,
particles per batch).
Arguments:
method: (str): The method to use when making the imprinted and
merged geometry. Options are "ppp", "trelis", "pymoab".
Defaults to None.
"""
self.create_materials()
self.create_neutronics_geometry(method=method)
# this is the underlying geometry container that is filled with the
# faceteted DGAMC CAD model
self.universe = openmc.Universe()
geom = openmc.Geometry(self.universe)
# settings for the number of neutrons to simulate
settings = openmc.Settings()
settings.batches = self.simulation_batches
settings.inactive = 0
settings.particles = self.simulation_particles_per_batch
settings.run_mode = "fixed source"
settings.dagmc = True
settings.photon_transport = True
settings.source = self.source
settings.max_lost_particles = self.max_lost_particles
# details about what neutrons interactions to keep track of (tally)
self.tallies = openmc.Tallies()
if self.mesh_tally_3d is not None:
mesh_xyz = openmc.RegularMesh(mesh_id=1, name='3d_mesh')
mesh_xyz.dimension = self.mesh_3D_resolution
mesh_xyz.lower_left = [
-self.geometry.largest_dimension,
-self.geometry.largest_dimension,
-self.geometry.largest_dimension
]
mesh_xyz.upper_right = [
self.geometry.largest_dimension,
self.geometry.largest_dimension,
self.geometry.largest_dimension
]
for standard_tally in self.mesh_tally_3d:
if standard_tally == 'tritium_production':
score = '(n,Xt)' # where X is a wild card
prefix = 'tritium_production'
else:
score = standard_tally
prefix = standard_tally
mesh_filter = openmc.MeshFilter(mesh_xyz)
tally = openmc.Tally(name=prefix + '_on_3D_mesh')
tally.filters = [mesh_filter]
tally.scores = [score]
self.tallies.append(tally)
if self.mesh_tally_2d is not None:
# Create mesh which will be used for tally
mesh_xz = openmc.RegularMesh(mesh_id=2, name='2d_mesh_xz')
mesh_xz.dimension = [
self.mesh_2D_resolution[1],
1,
self.mesh_2D_resolution[0]
]
mesh_xz.lower_left = [
-self.geometry.largest_dimension,
-1,
-self.geometry.largest_dimension
]
mesh_xz.upper_right = [
self.geometry.largest_dimension,
1,
self.geometry.largest_dimension
]
mesh_xy = openmc.RegularMesh(mesh_id=3, name='2d_mesh_xy')
mesh_xy.dimension = [
self.mesh_2D_resolution[1],
self.mesh_2D_resolution[0],
1
]
mesh_xy.lower_left = [
-self.geometry.largest_dimension,
-self.geometry.largest_dimension,
-1
]
mesh_xy.upper_right = [
self.geometry.largest_dimension,
self.geometry.largest_dimension,
1
]
mesh_yz = openmc.RegularMesh(mesh_id=4, name='2d_mesh_yz')
mesh_yz.dimension = [
1,
self.mesh_2D_resolution[1],
self.mesh_2D_resolution[0]
]
mesh_yz.lower_left = [
-1,
-self.geometry.largest_dimension,
-self.geometry.largest_dimension
]
mesh_yz.upper_right = [
1,
self.geometry.largest_dimension,
self.geometry.largest_dimension
]
for standard_tally in self.mesh_tally_2d:
if standard_tally == 'tritium_production':
score = '(n,Xt)' # where X is a wild card
prefix = 'tritium_production'
else:
score = standard_tally
prefix = standard_tally
for mesh_filter, plane in zip(
[mesh_xz, mesh_xy, mesh_yz], ['xz', 'xy', 'yz']):
mesh_filter = openmc.MeshFilter(mesh_filter)
tally = openmc.Tally(name=prefix + '_on_2D_mesh_' + plane)
tally.filters = [mesh_filter]
tally.scores = [score]
self.tallies.append(tally)
if self.cell_tallies is not None:
for standard_tally in self.cell_tallies:
if standard_tally == 'TBR':
score = '(n,Xt)' # where X is a wild card
sufix = 'TBR'
tally = openmc.Tally(name='TBR')
tally.scores = [score]
self.tallies.append(tally)
self._add_tally_for_every_material(sufix, score)
elif standard_tally == 'spectra':
neutron_particle_filter = openmc.ParticleFilter([
'neutron'])
photon_particle_filter = openmc.ParticleFilter(['photon'])
energy_bins = openmc.mgxs.GROUP_STRUCTURES['CCFE-709']
energy_filter = openmc.EnergyFilter(energy_bins)
self._add_tally_for_every_material(
'neutron_spectra',
'flux',
[neutron_particle_filter, energy_filter]
)
self._add_tally_for_every_material(
'photon_spectra',
'flux',
[photon_particle_filter, energy_filter]
)
else:
score = standard_tally
sufix = standard_tally
self._add_tally_for_every_material(sufix, score)
# make the model from gemonetry, materials, settings and tallies
self.model = openmc.model.Model(
geom, self.mats, settings, self.tallies)
import openmc
from openmc.examples import slab_mg
if __name__ == '__main__':
model = slab_mg(as_macro=False)
# Instantiate a tally mesh
mesh = openmc.Mesh(mesh_id=1)
mesh.type = 'regular'
mesh.dimension = [1, 1, 10]
mesh.lower_left = [0.0, 0.0, 0.0]
mesh.upper_right = [10, 10, 5]
# Instantiate some tally filters
energy_filter = openmc.EnergyFilter([0.0, 20.0e6])
energyout_filter = openmc.EnergyoutFilter([0.0, 20.0e6])
energies = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
matching_energy_filter = openmc.EnergyFilter(energies)
matching_eout_filter = openmc.EnergyoutFilter(energies)
mesh_filter = openmc.MeshFilter(mesh)
mat_filter = openmc.MaterialFilter(model.materials)
nuclides = model.xs_data
scores = {False: ['total', 'absorption', 'flux', 'fission', 'nu-fission'],
True: ['total', 'absorption', 'fission', 'nu-fission']}
for do_nuclides in [False, True]:
t = openmc.Tally()
def test_mg_tallies():
create_library()
model = slab_mg()
# Instantiate a tally mesh
mesh = openmc.RegularMesh(mesh_id=1)
mesh.dimension = [10, 1, 1]
mesh.lower_left = [0.0, 0.0, 0.0]
mesh.upper_right = [929.45, 1000, 1000]
# Instantiate some tally filters
energy_filter = openmc.EnergyFilter([0.0, 20.0e6])
energyout_filter = openmc.EnergyoutFilter([0.0, 20.0e6])
energies = [0.0, 0.625, 20.0e6]
matching_energy_filter = openmc.EnergyFilter(energies)
matching_eout_filter = openmc.EnergyoutFilter(energies)
mesh_filter = openmc.MeshFilter(mesh)
mat_filter = openmc.MaterialFilter(model.materials)
nuclides = model.xs_data
scores_with_nuclides = [
'total', 'absorption', 'fission', 'nu-fission', 'inverse-velocity',
'prompt-nu-fission', 'delayed-nu-fission', 'kappa-fission', 'events',
'decay-rate'
]
scores_without_nuclides = scores_with_nuclides + ['flux']
for do_nuclides, scores in ((False, scores_without_nuclides),
(True, scores_with_nuclides)):
t = openmc.Tally()
t.filters = [mesh_filter]
t.estimator = 'analog'
t.scores = scores
if do_nuclides:
t.nuclides = nuclides
model.tallies.append(t)
t = openmc.Tally()
t.filters = [mesh_filter]
t.estimator = 'tracklength'
t.scores = scores
if do_nuclides:
t.nuclides = nuclides
model.tallies.append(t)
# Impose energy bins that dont match the MG structure and those
# that do
for match_energy_bins in [False, True]:
if match_energy_bins:
e_filter = matching_energy_filter
eout_filter = matching_eout_filter
else:
e_filter = energy_filter
eout_filter = energyout_filter
t = openmc.Tally()
t.filters = [mat_filter, e_filter]
t.estimator = 'analog'
t.scores = scores + ['scatter', 'nu-scatter']
if do_nuclides:
t.nuclides = nuclides
model.tallies.append(t)
t = openmc.Tally()
t.filters = [mat_filter, e_filter]
t.estimator = 'collision'
t.scores = scores
if do_nuclides:
t.nuclides = nuclides
model.tallies.append(t)
t = openmc.Tally()
t.filters = [mat_filter, e_filter]
t.estimator = 'tracklength'
t.scores = scores
if do_nuclides:
t.nuclides = nuclides
model.tallies.append(t)
t = openmc.Tally()
t.filters = [mat_filter, e_filter, eout_filter]
t.scores = ['scatter', 'nu-scatter', 'nu-fission']
if do_nuclides:
t.nuclides = nuclides
model.tallies.append(t)
harness = MGXSTestHarness('statepoint.10.h5', model)
harness.main()
def generate_model(sol_temp=303., sol_conc=0.299, U_enrch=0.1467, cr_wd=0.1):
sol_atom_densities = BoilerAtomDensities(enrich=U_enrch,
temp=sol_temp,
conc=sol_conc)
sol = openmc.Material(name='sol')
sol.add_element('H', sol_atom_densities['H'], percent_type='ao')
sol.add_element('O', sol_atom_densities['O'], percent_type='ao')
sol.add_element('S', sol_atom_densities['S'], percent_type='ao')
sol.add_nuclide('U234', sol_atom_densities['U234'], percent_type='ao')
sol.add_nuclide('U235', sol_atom_densities['U235'], percent_type='ao')
sol.add_nuclide('U238', sol_atom_densities['U238'], percent_type='ao')
sol.add_s_alpha_beta('c_H_in_H2O')
ad_tot = 0.
for key in sol_atom_densities:
ad_tot += sol_atom_densities[key]
sol.set_density('atom/b-cm', ad_tot)
brass = openmc.Material(name='brass')
brass.add_element('Fe', 0.001002)
brass.add_element('Cu', 0.674918)
brass.add_element('Zn', 0.320956)
brass.add_element('Sn', 0.001451)
brass.add_element('Pb', 0.001673)
brass.set_density('g/cc', 8.070)
cadmium = openmc.Material(name='cadmium')
cadmium.add_element('Cd', 1.0)
cadmium.set_density('g/cc', 8.65)
shell = openmc.Material(name='shell')
shell.add_element('C', 0.003659)
shell.add_element('Si', 0.019559)
shell.add_element('P', 0.000798)
shell.add_element('S', 0.000514)
shell.add_element('Cr', 0.179602)
shell.add_element('Mn', 0.019998)
shell.add_element('Fe', 0.669338)
shell.add_element('Ni', 0.102952)
shell.add_element('Nb', 0.002365)
shell.add_element('Ta', 0.001214)
shell.set_density('g/cc', 8.0)
beryl_ref = openmc.Material(name='beryl_ref')
beryl_ref.add_element('O', 6.6210e-2)
beryl_ref.add_element('Be', 6.6210e-2)
beryl_ref.add_element('B', 3.0637e-7)
beryl_ref.add_element('Co', 5.6202e-7)
beryl_ref.add_element('Ag', 3.0706e-8)
beryl_ref.add_element('Cd', 7.3662e-8)
beryl_ref.add_element('In', 1.4423e-8)
beryl_ref.add_s_alpha_beta('c_Be_in_BeO')
beryl_ref.set_density('g/cc', 2.75)
grph = openmc.Material(name='grph')
grph.add_element('C', 0.999999)
grph.add_element('B', 0.000001)
grph.set_density('g/cc', 1.7)
grph.add_s_alpha_beta('c_Graphite')
air = openmc.Material(name='air')
air.add_element('C', 0.000150)
air.add_element('N', 0.784431)
air.add_element('O', 0.210748)
air.add_element('Ar', 0.004671)
air.set_density('g/cc', 0.001205)
materials = openmc.Materials(
[sol, shell, beryl_ref, grph, air, brass, cadmium])
rx_origin = [0., 76.3214, 0.]
ref_sphere = openmc.Sphere(y0=rx_origin[1], r=47.4210)
tank_o = openmc.Sphere(y0=rx_origin[1], r=15.3614)
tank_i = openmc.Sphere(y0=rx_origin[1], r=15.282)
graph_base_cyl = openmc.YCylinder(r=47.4210)
#fill_drain_cav = openmc.YCylinder(r=4.445/2.);
fill_drain_o = openmc.YCylinder(r=2.06375)
fill_drain_i = openmc.YCylinder(r=1.905)
plate_plane = openmc.YPlane(y0=0.)
base_plane = openmc.YPlane(y0=34.4114)
sphere_center_plane = openmc.YPlane(y0=rx_origin[1])
upper_plane = openmc.YPlane(y0=118.2314)
bbox = openmc.model.RightCircularCylinder([0., -10., 0.],
230.,
60.,
axis='y',
boundary_type='vacuum')
# surfaces for the control rod
rod_channel_bottom = 118.2314 - 76.20
cr_cyl = openmc.YCylinder(x0=-18.891, z0=0., r=1.42875)
cr_cyl_bottom = openmc.YPlane(y0=rod_channel_bottom)
# surfaces for the safety rod
sr_right = openmc.XPlane(x0=17.3664)
sr_left = openmc.XPlane(x0=15.4614)
sr_front = openmc.ZPlane(z0=7.62 / 2.)
sr_back = openmc.ZPlane(z0=-7.62 / 2.)
# top plane for cr/sr
rod_channel_top = openmc.YPlane(y0=200.)
rod_length = 76.20
#sr_wd = 76.20;# cm, distance from fully inserted
cr_bottom = openmc.YPlane(y0=(rod_channel_bottom + cr_wd))
cr_top = openmc.YPlane(y0=(rod_channel_bottom + cr_wd + rod_length))
#sr_bottom = openmc.YPlane(y0=(rod_channel_bottom+sr_wd));
#sr_top = openmc.YPlane(y0=(rod_channel_bottom+sr_wd+rod_length));
cr_brass_o = openmc.YCylinder(x0=-18.891, z0=0., r=0.9525)
cr_brass_i = openmc.YCylinder(x0=-18.891, z0=0., r=0.7000)
cr_cd_o = openmc.YCylinder(x0=-18.891, z0=0.0, r=1.03375)
core = openmc.Cell()
core.fill = sol
core.region = (-tank_i) | (-fill_drain_i) & -bbox
steel_tank_and_pipe = openmc.Cell()
steel_tank_and_pipe.fill = shell
#steel_tank_and_pipe.region = (+tank_i & -tank_o & ~(-fill_drain_i)) | \
# (+fill_drain_i & -fill_drain_o & +tank_i) & -bbox
steel_tank_and_pipe.region = (+tank_i & -tank_o & ~(-fill_drain_i)) | \
(+fill_drain_i & -fill_drain_o & +tank_i) & -bbox
# make a universe for the control rod
cr_brass = openmc.Cell()
cr_brass.fill = brass
cr_brass.region = +cr_brass_i & -cr_brass_o & +cr_bottom & -cr_top
cr_cd = openmc.Cell()
cr_cd.fill = cadmium
cr_cd.region = +cr_brass_o & -cr_cd_o & +cr_bottom & -cr_top
cr_air = openmc.Cell()
cr_air.fill = air
cr_air.region = +cr_cyl_bottom & -rod_channel_top & -cr_cyl & ~cr_cd.region & ~cr_brass.region
cr_univ = openmc.Universe()
cr_univ.add_cells([cr_brass, cr_cd, cr_air])
cr = openmc.Cell()
cr.fill = cr_univ
cr.region = -cr_cyl & +cr_cyl_bottom & -rod_channel_top
sr = openmc.Cell()
sr.fill = air
sr.region = +sr_left & -sr_right & +cr_cyl_bottom & -upper_plane & -sr_front & +sr_back
ref = openmc.Cell()
ref.fill = beryl_ref
ref.region = ((+tank_o & +fill_drain_o) & -ref_sphere & +base_plane
& -upper_plane) & ~cr.region & ~sr.region
outside = openmc.Cell()
outside.fill = air
outside.region = -bbox & (+graph_base_cyl | (+ref_sphere & -upper_plane) |
(+upper_plane & +fill_drain_o & ~cr.region))
graph_base = openmc.Cell()
graph_base.fill = grph
graph_base.region = (
(-graph_base_cyl & +plate_plane & -base_plane & +fill_drain_o) |
(-graph_base_cyl & +ref_sphere & +base_plane & -sphere_center_plane))
root = openmc.Universe()
root.add_cells(
[graph_base, ref, core, steel_tank_and_pipe, outside, cr, sr])
geometry = openmc.Geometry()
geometry.root_universe = root
cell_filter = openmc.CellFilter(core)
N = 1001
energy_bins = np.logspace(-3, 7, num=N)
energy_filter = openmc.EnergyFilter(values=energy_bins)
abs_core = openmc.Tally(name='abs_core')
abs_core.scores = ['absorption']
abs_core.filters = [cell_filter, energy_filter]
fission = openmc.Tally(name='fission')
fission.scores = ['fission']
fission.filters = [cell_filter, energy_filter]
fission_by_nuclide = openmc.Tally(name='fission_by_nuclide')
fission_by_nuclide.scores = ['fission']
fission_by_nuclide.nuclides = ['U234', 'U235', 'U238']
fission_by_nuclide.filters = [cell_filter, energy_filter]
capture = openmc.Tally(name='capture')
capture.scores = ['(n,gamma)']
capture.filters = [cell_filter, energy_filter]
capture_by_nuclide = openmc.Tally(name='capture_by_nuclide')
capture_by_nuclide.scores = ['(n,gamma)']
capture_by_nuclide.nuclides = ['U234', 'U238', 'H1', 'O16', 'S32']
capture_by_nuclide.filters = [cell_filter, energy_filter]
flux = openmc.Tally(name='flux')
flux.scores = ['flux']
flux.filters = [cell_filter, energy_filter]
tallies = openmc.Tallies([
abs_core, flux, fission, capture, fission_by_nuclide,
capture_by_nuclide
])
settings = openmc.Settings()
settings.batches = 100
settings.inactive = 20
settings.particles = 5000
R = 15.
y_org = 76.3214
bounds = [-R, -R + y_org, -R, R, R + y_org, R]
uniform_dist = openmc.stats.Box(bounds[:3],
bounds[3:],
only_fissionable=True)
settings.source = openmc.source.Source(space=uniform_dist)
#settings.temperature['method']='interpolation';
return materials, geometry, tallies, settings
plots.export_to_xml()
openmc.plot_geometry()
get_ipython().system('convert coreplot.ppm core1.png')
tallies = openmc.Tallies()
# Create mesh which will be used for tally
mesh_core = openmc.Mesh()
mesh_core.dimension = [21, 1, 1]
mesh_core.lower_left = (-100, -100, 0)
mesh_core.upper_right = (100, 100, 160)
# Create filter for tally
mesh_filtercore = openmc.MeshFilter(mesh_core)
core_filter = openmc.UniverseFilter([a1, a2, a3, a4, ba])
energy_filter = openmc.EnergyFilter([0.0, 1.0, 1.0e5, 2.0e7])
# Create mesh tally to score flux and fission rate
tally_core = openmc.Tally(name='flux')
tally_core.filters = [mesh_filtercore]
tally_core.scores = ['fission-q-prompt']
tallies.append(tally_core)
tallies.export_to_xml()
coretest = openmc.Settings()
coretest.batches = 40
coretest.inactive = 10
coretest.particles = 10000
core_dist = openmc.stats.Box((-10, -10, 60), (10, 10, 70),
only_fissionable=True)
nGroups = len(groups) - 1
mgxs_lib = openmc.mgxs.Library(geometry)
mgxs_lib.energy_groups = openmc.mgxs.EnergyGroups(groups)
mgxs_lib.correction = None
mgxs_lib.mgxs_types = ('total','absorption','nu-fission',\
'fission','consistent nu-scatter matrix','chi')
mgxs_lib.domain_type = 'cell'
mgxs_lib.domains = geometry.get_all_material_cells().values()
mgxs_lib.build_library()
tallies = openmc.Tallies()
mgxs_lib.add_to_tallies_file(tallies)
flux_tally = openmc.Tally(name='flux')
energy_filter = openmc.EnergyFilter(groups)
flux_tally.filters = [
openmc.CellFilter(mCells + fCells),
openmc.EnergyFilter(groups)
]
#flux_tally.scores = ['flux','nu-fission']
flux_tally.scores = ['flux']
tallies.append(flux_tally)
###############################################################################
###############################################################################
# Extract all Cells filled by Materials
openmc_cells = geometry.get_all_material_cells().values()
# Create dictionary to store multi-group cross sections for all cells
xs_library = {}
def get_neutron_spectrum_from_plasma(plasma_temperature=14080000.0):
# MATERIALS (there are none in this model)
mats = openmc.Materials([])
# GEOMETRY
# surfaces
inner_surface = openmc.Sphere(r=100)
outer_surface = openmc.Sphere(r=101, boundary_type='vacuum')
# cells
inner_cell = openmc.Cell(region=-inner_surface)
# this is filled with a void / vauum by default
outer_cell = openmc.Cell(region=+inner_surface & -outer_surface)
# this is filled with a void / vauum by default
universe = openmc.Universe(cells=[inner_cell, outer_cell])
geom = openmc.Geometry(universe)
# SIMULATION SETTINGS
# Instantiate a Settings object
sett = openmc.Settings()
sett.batches = 20
sett.inactive = 0 # the default is 10, which would be wasted computing for us
sett.particles = 500000
sett.run_mode = 'fixed source'
# Create a DT point source
source = openmc.Source()
source.space = openmc.stats.Point((0, 0, 0))
source.angle = openmc.stats.Isotropic()
source.energy = openmc.stats.Muir(kt=plasma_temperature)
sett.source = source
# setup the filters for the tallies
neutron_particle_filter = openmc.ParticleFilter(['neutron'])
surface_filter = openmc.SurfaceFilter(
inner_surface) # detects particles across a surface
energy_filter = openmc.EnergyFilter(energy_bins)
spectra_tally = openmc.Tally(name='energy_spectra')
spectra_tally.scores = ['current']
spectra_tally.filters = [
surface_filter, neutron_particle_filter, energy_filter
]
tallies = openmc.Tallies()
tallies.append(spectra_tally)
# combine all the required parts to make a model
model = openmc.model.Model(geom, mats, sett, tallies)
# Run OpenMC!
results_filename = model.run()
# open the results file
results = openmc.StatePoint(results_filename)
#extracts the tally values from the simulation results
surface_tally = results.get_tally(name='energy_spectra')
surface_tally = surface_tally.get_pandas_dataframe()
surface_tally_values = surface_tally['mean']
return surface_tally_values
def make_materials_geometry_tallies(v):
enrichment_fraction_list, thickness = v
batches = 2
inner_radius = 500
breeder_material_name = 'Li'
temperature_in_C = 500
if isinstance(enrichment_fraction_list, list):
enrichment_fraction = enrichment_fraction_list[0]
else:
enrichment_fraction = enrichment_fraction_list
print('simulating ', batches, enrichment_fraction, inner_radius, thickness,
breeder_material_name)
#MATERIALS#
breeder_material = make_breeder_material(enrichment_fraction,
breeder_material_name,
temperature_in_C)
eurofer = make_eurofer()
mats = openmc.Materials([breeder_material, eurofer])
#GEOMETRY#
breeder_blanket_inner_surface = openmc.Sphere(r=inner_radius)
breeder_blanket_outer_surface = openmc.Sphere(r=inner_radius + thickness)
vessel_inner_surface = openmc.Sphere(r=inner_radius + thickness + 10)
vessel_outer_surface = openmc.Sphere(r=inner_radius + thickness + 20,
boundary_type='vacuum')
breeder_blanket_region = -breeder_blanket_outer_surface & +breeder_blanket_inner_surface
breeder_blanket_cell = openmc.Cell(region=breeder_blanket_region)
breeder_blanket_cell.fill = breeder_material
breeder_blanket_cell.name = 'breeder_blanket'
inner_void_region = -breeder_blanket_inner_surface
inner_void_cell = openmc.Cell(region=inner_void_region)
inner_void_cell.name = 'inner_void'
vessel_region = +vessel_inner_surface & -vessel_outer_surface
vessel_cell = openmc.Cell(region=vessel_region)
vessel_cell.name = 'vessel'
vessel_cell.fill = eurofer
blanket_vessel_gap_region = -vessel_inner_surface & +breeder_blanket_outer_surface
blanket_vessel_gap_cell = openmc.Cell(region=blanket_vessel_gap_region)
blanket_vessel_gap_cell.name = 'blanket_vessel_gap'
universe = openmc.Universe(cells=[
inner_void_cell, breeder_blanket_cell, blanket_vessel_gap_cell,
vessel_cell
])
geom = openmc.Geometry(universe)
#SIMULATION SETTINGS#
sett = openmc.Settings()
# batches = 3 # this is parsed as an argument
sett.batches = batches
sett.inactive = 10
sett.particles = 500
sett.run_mode = 'fixed source'
source = openmc.Source()
source.space = openmc.stats.Point((0, 0, 0))
source.angle = openmc.stats.Isotropic()
source.energy = openmc.stats.Muir(
e0=14080000.0, m_rat=5.0, kt=20000.0
) #neutron energy = 14.08MeV, AMU for D + T = 5, temperature is 20KeV
sett.source = source
#TALLIES#
tallies = openmc.Tallies()
# define filters
cell_filter_breeder = openmc.CellFilter(breeder_blanket_cell)
cell_filter_vessel = openmc.CellFilter(vessel_cell)
particle_filter = openmc.ParticleFilter([1]) #1 is neutron, 2 is photon
surface_filter_rear_blanket = openmc.SurfaceFilter(
breeder_blanket_outer_surface)
surface_filter_rear_vessel = openmc.SurfaceFilter(vessel_outer_surface)
energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175']
energy_filter = openmc.EnergyFilter(energy_bins)
tally = openmc.Tally(name='TBR')
tally.filters = [cell_filter_breeder, particle_filter]
tally.scores = [
'205'
] # MT 205 is the (n,Xt) reaction where X is a wildcard, if MT 105 or (n,t) then some tritium production will be missed, for example (n,nt) which happens in Li7 would be missed
tallies.append(tally)
tally = openmc.Tally(name='blanket_leakage')
tally.filters = [surface_filter_rear_blanket, particle_filter]
tally.scores = ['current']
tallies.append(tally)
tally = openmc.Tally(name='vessel_leakage')
tally.filters = [surface_filter_rear_vessel, particle_filter]
tally.scores = ['current']
tallies.append(tally)
tally = openmc.Tally(name='breeder_blanket_spectra')
tally.filters = [cell_filter_breeder, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
tally = openmc.Tally(name='vacuum_vessel_spectra')
tally.filters = [cell_filter_vessel, particle_filter, energy_filter]
tally.scores = ['flux']
tallies.append(tally)
tally = openmc.Tally(name='DPA')
tally.filters = [cell_filter_vessel, particle_filter]
tally.scores = ['444']
tallies.append(tally)
#RUN OPENMC #
model = openmc.model.Model(geom, mats, sett, tallies)
model.run()
sp = openmc.StatePoint('statepoint.' + str(batches) + '.h5')
json_output = {
'enrichment_fraction': enrichment_fraction,
'inner_radius': inner_radius,
'thickness': thickness,
'breeder_material_name': breeder_material_name,
'temperature_in_C': temperature_in_C
}
tallies_to_retrieve = ['TBR', 'DPA', 'blanket_leakage', 'vessel_leakage']
for tally_name in tallies_to_retrieve:
tally = sp.get_tally(name=tally_name)
df = tally.get_pandas_dataframe()
tally_result = df['mean'].sum()
tally_std_dev = df['std. dev.'].sum()
json_output[tally_name] = {
'value': tally_result,
'std_dev': tally_std_dev
}
spectra_tallies_to_retrieve = [
'breeder_blanket_spectra', 'vacuum_vessel_spectra'
]
for spectra_name in spectra_tallies_to_retrieve:
spectra_tally = sp.get_tally(name=spectra_name)
spectra_tally_result = [entry[0][0] for entry in spectra_tally.mean]
spectra_tally_std_dev = [
entry[0][0] for entry in spectra_tally.std_dev
]
json_output[spectra_name] = {
'value': spectra_tally_result,
'std_dev': spectra_tally_std_dev,
'energy_groups': list(energy_bins)
}
return json_output
def __init__(self, *args, **kwargs):
super().__init__(*args, **kwargs)
# Define nuclides and scores to add to both tallies
self.nuclides = ['U235', 'U238']
self.scores = ['fission', 'nu-fission']
# Define filters for energy and spatial domain
low_energy = openmc.EnergyFilter([0., 0.625])
high_energy = openmc.EnergyFilter([0.625, 20.e6])
merged_energies = low_energy.merge(high_energy)
cell_21 = openmc.CellFilter(21)
cell_27 = openmc.CellFilter(27)
distribcell_filter = openmc.DistribcellFilter(21)
mesh = openmc.RegularMesh(name='mesh')
mesh.dimension = [2, 2]
mesh.lower_left = [-50., -50.]
mesh.upper_right = [+50., +50.]
mesh_filter = openmc.MeshFilter(mesh)
self.cell_filters = [cell_21, cell_27]
self.energy_filters = [low_energy, high_energy]
# Initialize cell tallies with filters, nuclides and scores
tallies = []
for energy_filter in self.energy_filters:
for cell_filter in self.cell_filters:
for nuclide in self.nuclides:
for score in self.scores:
tally = openmc.Tally()
tally.estimator = 'tracklength'
tally.scores.append(score)
tally.nuclides.append(nuclide)
tally.filters.append(cell_filter)
tally.filters.append(energy_filter)
tallies.append(tally)
# Merge all cell tallies together
while len(tallies) != 1:
halfway = len(tallies) // 2
zip_split = zip(tallies[:halfway], tallies[halfway:])
tallies = list(map(lambda xy: xy[0].merge(xy[1]), zip_split))
# Specify a name for the tally
tallies[0].name = 'cell tally'
# Initialize a distribcell tally
distribcell_tally = openmc.Tally(name='distribcell tally')
distribcell_tally.estimator = 'tracklength'
distribcell_tally.filters = [distribcell_filter, merged_energies]
for score in self.scores:
distribcell_tally.scores.append(score)
for nuclide in self.nuclides:
distribcell_tally.nuclides.append(nuclide)
mesh_tally = openmc.Tally(name='mesh tally')
mesh_tally.estimator = 'tracklength'
mesh_tally.filters = [mesh_filter, merged_energies]
mesh_tally.scores = self.scores
mesh_tally.nuclides = self.nuclides
# Add tallies to a Tallies object
self._model.tallies = [tallies[0], distribcell_tally, mesh_tally]
def pincellfunction(pitch, enrichment):
settings = openmc.Settings()
# Set high tolerance to allow use of lower temperature xs
settings.temperature['tolerance'] = 10000
settings.temperature['method'] = 'nearest'
settings.temperature['multipole'] = True
settings.cutoff = {'energy': 1e-8} #energy cutoff in eV
#############################
### MATERIALS ###
#############################
uo2 = openmc.Material(1, "uo2")
uo2.add_element('U', 1.0, enrichment=enrichment)
uo2.add_element('O', 2.0)
uo2.set_density('g/cm3', 10.97)
uo2.temperature = 900 #kelvin
graphite = openmc.Material(2, "graphite")
graphite.set_density('g/cm3', 1.1995)
graphite.add_element('C', 1.0)
graphite.add_s_alpha_beta('c_Graphite')
graphite.temperature = 600 #kelvin
mats = openmc.Materials([uo2, graphite])
mats.export_to_xml()
#############################
### GEOMETRY ###
#############################
universe = openmc.Universe()
fuel_or = openmc.ZCylinder(R=0.5)
fuel_region = -fuel_or
fuel_cell = openmc.Cell(1, 'fuel')
fuel_cell.fill = uo2
fuel_cell.region = fuel_region
box = openmc.get_rectangular_prism(width=pitch,
height=pitch,
boundary_type='reflective')
water_region = box & +fuel_or
moderator = openmc.Cell(2, 'moderator')
moderator.fill = graphite
moderator.region = water_region
root = openmc.Universe(cells=(fuel_cell, moderator))
geom = openmc.Geometry(root)
geom.export_to_xml()
#####################################
### SOURCE/BATCHES ###
#####################################
point = openmc.stats.Point((0, 0, 0))
src = openmc.Source(space=point)
settings.source = src
settings.batches = 100
settings.inactive = 10
settings.particles = 1000
settings.export_to_xml()
#############################
### TALLIES ###
#############################
# Instantiate an empty Tallies object
tallies_file = openmc.Tallies()
# K-Eigenvalue (infinity) tallies
fiss_rate = openmc.Tally(name='fiss. rate')
fiss_rate.scores = ['nu-fission']
tallies_file.append(fiss_rate)
abs_rate = openmc.Tally(name='abs. rate')
abs_rate.scores = ['absorption']
tallies_file.append(abs_rate)
# Resonance Escape Probability tallies
therm_abs_rate = openmc.Tally(name='therm. abs. rate')
therm_abs_rate.scores = ['absorption']
therm_abs_rate.filters = [openmc.EnergyFilter([0., 0.625])]
tallies_file.append(therm_abs_rate)
# Thermal Flux Utilization tallies
fuel_therm_abs_rate = openmc.Tally(name='fuel therm. abs. rate')
fuel_therm_abs_rate.scores = ['absorption']
fuel_therm_abs_rate.filters = [
openmc.EnergyFilter([0., 0.625]),
openmc.CellFilter([fuel_cell])
]
tallies_file.append(fuel_therm_abs_rate)
# Fast Fission Factor tallies
therm_fiss_rate = openmc.Tally(name='therm. fiss. rate')
therm_fiss_rate.scores = ['nu-fission']
therm_fiss_rate.filters = [openmc.EnergyFilter([0., 0.625])]
tallies_file.append(therm_fiss_rate)
tallies_file.export_to_xml()
#############################
### PLOTTING ###
#############################
p = openmc.Plot()
p.filename = 'pinplot'
p.width = (pitch, pitch)
p.pixels = (200, 200)
p.color_by = 'material'
p.colors = {uo2: 'yellow', graphite: 'grey'}
plots = openmc.Plots([p])
plots.export_to_xml()
openmc.plot_geometry(output=False)
pngstring = 'pinplot{}.png'.format(str(pitch))
subprocess.call(['convert', 'pinplot.ppm', pngstring])
subprocess.call(['mv', pngstring, 'figures/' + pngstring])
#############################
### EXECUTION ###
#############################
openmc.run(output=False)
sp = openmc.StatePoint('statepoint.{}.h5'.format(settings.batches))
# Collect all the tallies
fiss_rate = sp.get_tally(name='fiss. rate')
fiss_rate_df = fiss_rate.get_pandas_dataframe()
abs_rate = sp.get_tally(name='abs. rate')
abs_rate_df = abs_rate.get_pandas_dataframe()
therm_abs_rate = sp.get_tally(name='therm. abs. rate')
therm_abs_rate_df = therm_abs_rate.get_pandas_dataframe()
fuel_therm_abs_rate = sp.get_tally(name='fuel therm. abs. rate')
fuel_therm_abs_rate_df = fuel_therm_abs_rate.get_pandas_dataframe()
therm_fiss_rate = sp.get_tally(name='therm. fiss. rate')
therm_fiss_rate_df = therm_fiss_rate.get_pandas_dataframe()
# Compute k-infinity
kinf = fiss_rate / abs_rate
kinf_df = kinf.get_pandas_dataframe()
# Compute resonance escape probability
res_esc = (therm_abs_rate) / (abs_rate)
res_esc_df = res_esc.get_pandas_dataframe()
# Compute fast fission factor
fast_fiss = fiss_rate / therm_fiss_rate
fast_fiss_df = fast_fiss.get_pandas_dataframe()
# Compute thermal flux utilization
therm_util = fuel_therm_abs_rate / therm_abs_rate
therm_util_df = therm_util.get_pandas_dataframe()
# Compute neutrons produced per absorption
eta = therm_fiss_rate / fuel_therm_abs_rate
eta_df = eta.get_pandas_dataframe()
columns = [
'pitch', 'enrichment', 'kinf mean', 'kinf sd', 'res_esc mean',
'res_esc sd', 'fast_fiss mean', 'fast_fiss sd', 'therm_util mean',
'therm_util sd', 'eta mean', 'eta sd'
]
data = [[
pitch, enrichment, kinf_df['mean'][0], kinf_df['std. dev.'][0],
res_esc_df['mean'][0], res_esc_df['std. dev.'][0],
fast_fiss_df['mean'][0], fast_fiss_df['std. dev.'][0],
therm_util_df['mean'][0], therm_util_df['std. dev.'][0],
eta_df['mean'][0], eta_df['std. dev.'][0]
]]
all_tallies = pd.DataFrame(data, columns=columns)
return all_tallies
mesh.lower_left = assembly.lower_left mesh.width = assembly.pitch # Instantiate mesh Filter mesh_filter = openmc.MeshFilter(mesh) # Fission rate mesh Tally mesh_fiss = openmc.Tally(name='mesh fission') mesh_fiss.filters = [mesh_filter] mesh_fiss.scores = ['fission'] mesh_fiss.nuclides = ['U235', 'U238'] # Fine energy flux Tally flux = openmc.Tally(name='flux') energies = np.logspace(-2, np.log10(8e6), 1000) flux.filters = [openmc.EnergyFilter(energies)] flux.scores = ['flux'] # U-238 capture and fission distribcell Tally distribcell = openmc.Tally(name='distribcell') distribcell.filters = [openmc.DistribcellFilter(fuel.id)] distribcell.nuclides = ['U235', 'U238'] distribcell.scores = ['absorption', 'fission'] # Resonance escape probability Tallies therm_abs = openmc.Tally(name='thermal absorption') therm_abs.scores = ['absorption'] therm_abs.filters = [openmc.EnergyFilter([0., 0.625])] tot_abs = openmc.Tally(name='total absorption') tot_abs.scores = ['absorption']
entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50] entropy_mesh.upper_right = [0.39218, 0.39218, 1.e50] entropy_mesh.dimension = [10, 10, 1] settings_file.entropy_mesh = entropy_mesh settings_file.export_to_xml() ############################################################################### # Exporting to OpenMC tallies.xml file ############################################################################### # Instantiate a tally mesh mesh = openmc.Mesh(mesh_id=1) mesh.type = 'regular' mesh.dimension = [100, 100, 1] mesh.lower_left = [-0.62992, -0.62992, -1.e50] mesh.upper_right = [0.62992, 0.62992, 1.e50] # Instantiate some tally Filters energy_filter = openmc.EnergyFilter([0., 4., 20.e6]) mesh_filter = openmc.MeshFilter(mesh) # Instantiate the Tally tally = openmc.Tally(tally_id=1, name='tally 1') tally.filters = [energy_filter, mesh_filter] tally.scores = ['flux', 'fission', 'nu-fission'] # Instantiate a Tallies collection and export to XML tallies_file = openmc.Tallies([tally]) tallies_file.export_to_xml()
def tallies_generation(root):
""" Creates tallies.xml file
Parameters
----------
root: openmc.Universe with all the relevant cells for the geometry.
Returns
-------
This function generates the tallies.xml file.
"""
tallies_file = openmc.Tallies()
# phase1a-b
energy_filter_b = openmc.EnergyFilter([1e-6, 20.0e6])
mesh_b = openmc.RegularMesh(mesh_id=16)
mesh_b.dimension = [1, 1]
L = 27.02
mesh_b.lower_left = [-L, -L]
mesh_b.upper_right = [L, L]
mesh_filter_b = openmc.MeshFilter(mesh_b)
tally_b = openmc.Tally(name='mesh tally b')
tally_b.filters = [mesh_filter_b, energy_filter_b]
tally_b.scores = ['delayed-nu-fission', 'nu-fission']
tallies_file.append(tally_b)
# phase1a-c
mesh_no = 0
for t in range(6):
mesh_no += 1
for x in range(2):
x_trans = t * T['A1']['P']['x']
y_trans = t * T['A1']['P']['y']
if x == 1:
mesh_no += 1
x_trans += T['A1']['F']['x']
y_trans += T['A1']['F']['y']
mesh_c = openmc.RegularMesh(mesh_id=mesh_no)
mesh_c.dimension = [1, 5]
mesh_c.lower_left = [
V['A1']['F']['L']['x'] + x_trans,
V['A1']['F']['B']['y'] + y_trans
]
mesh_c.upper_right = [
V['A1']['F']['R']['x'] + x_trans,
V['A1']['F']['T']['y'] + y_trans
]
mesh_filter_c = openmc.MeshFilter(mesh_c)
tally_c = openmc.Tally(name='mesh tally c' + str(mesh_no))
tally_c.filters = [mesh_filter_c]
tally_c.scores = ['fission']
tallies_file.append(tally_c)
# phase 1a-d
energy_filter_d = openmc.EnergyFilter([1e-5, 3, 1.0e5, 20.0e6])
mesh_d = openmc.RegularMesh(mesh_id=13)
mesh_d.dimension = [1, 1]
L = 27.02
mesh_d.lower_left = [-L, -L]
mesh_d.upper_right = [L, L]
mesh_filter_d = openmc.MeshFilter(mesh_d)
tally_d = openmc.Tally(name='mesh tally d')
tally_d.filters = [mesh_filter_d, energy_filter_d]
tally_d.scores = ['flux', 'nu-fission', 'fission']
tallies_file.append(tally_d)
# phase 1a-e
energy_filter_e = openmc.EnergyFilter([1e-5, 3, 0.1e6, 20.0e6])
mesh_e = openmc.RegularMesh(mesh_id=14)
mesh_e.dimension = [100, 100]
L = 27.02
mesh_e.lower_left = [-L, -L]
mesh_e.upper_right = [L, L]
mesh_filter_e = openmc.MeshFilter(mesh_e)
tally_e = openmc.Tally(name='mesh tally e')
tally_e.filters = [mesh_filter_e, energy_filter_e]
tally_e.scores = ['flux', 'nu-fission', 'fission']
tallies_file.append(tally_e)
# phase 1a-f
energy_filter_f = openmc.EnergyFilter(engs)
mesh_f = openmc.RegularMesh(mesh_id=15)
mesh_f.dimension = [1, 1]
L = 27.02
mesh_f.lower_left = [-L, -L]
mesh_f.upper_right = [L, L]
mesh_filter_f = openmc.MeshFilter(mesh_f)
tally_f = openmc.Tally(name='mesh tally f')
tally_f.filters = [mesh_filter_f, energy_filter_f]
tally_f.scores = ['flux', 'nu-fission', 'fission']
tallies_file.append(tally_f)
tallies_file.export_to_xml()
return