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OpenMC/openmc/data/fission_energy.py

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from collections.abc import Callable
from copy import deepcopy
from io import StringIO
import sys
import h5py
import numpy as np
from .data import ATOMIC_SYMBOL, EV_PER_MEV
from .endf import get_cont_record, get_list_record, Evaluation
from .function import Function1D, Tabulated1D, Polynomial, Sum
import openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
def _extract_458_data(ev):
"""Read an ENDF file and extract the MF=1, MT=458 values.
Parameters
----------
ev : openmc.data.Evaluation
ENDF evaluation
Returns
-------
value : dict of str to list of float
Dictionary that gives lists of coefficients for each energy component.
The keys are the 2-3 letter strings used in ENDF-102, e.g. 'EFR' and
'ET'. The list will have a length of 1 for Sher-Beck data, more for
polynomial data.
uncertainty : dict of str to list of float
A dictionary with the same format as above. This is probably a
one-standard deviation value, but that is not specified explicitly in
ENDF-102. Also, some evaluations will give zero uncertainty. Use with
caution.
"""
cv.check_type('evaluation', ev, Evaluation)
if not ev.target['fissionable']:
# This nuclide isn't fissionable.
return None
if (1, 458) not in ev.section:
# No 458 data here.
return None
file_obj = StringIO(ev.section[1, 458])
# Read the number of coefficients in this LIST record.
items = get_cont_record(file_obj)
NPL = items[3]
# Parse the ENDF LIST into an array.
items, data = get_list_record(file_obj)
# Declare the coefficient names and the order they are given in. The LIST
# contains a value followed immediately by an uncertainty for each of these
# components, times the polynomial order + 1.
labels = ('EFR', 'ENP', 'END', 'EGP', 'EGD', 'EB', 'ENU', 'ER', 'ET')
# Associate each set of values and uncertainties with its label.
value = {}
uncertainty = {}
for i, label in enumerate(labels):
value[label] = data[2*i::18]
uncertainty[label] = data[2*i + 1::18]
# In ENDF/B-7.1, data for 2nd-order coefficients were mistakenly not
# converted from MeV to eV. Check for this error and fix it if present.
n_coeffs = len(value['EFR'])
if n_coeffs == 3: # Only check 2nd-order data.
# Check each energy component for the error. If a 1 MeV neutron
# causes a change of more than 100 MeV, we know something is wrong.
error_present = False
for coeffs in value.values():
second_order = coeffs[2]
if abs(second_order) * 1e12 > 1e8:
error_present = True
break
# If we found the error, reduce all 2nd-order coeffs by 10**6.
if error_present:
for coeffs in value.values():
coeffs[2] /= EV_PER_MEV
for coeffs in uncertainty.values():
coeffs[2] /= EV_PER_MEV
return value, uncertainty
def write_compact_458_library(endf_files, output_name='fission_Q_data.h5',
comment=None, verbose=False):
"""Read ENDF files, strip the MF=1 MT=458 data and write to small HDF5.
Parameters
----------
endf_files : Collection of str
Strings giving the paths to the ENDF files that will be parsed for data.
output_name : str
Name of the output HDF5 file. Default is 'fission_Q_data.h5'.
comment : str
Comment to write in the output HDF5 file. Defaults to no comment.
verbose : bool
If True, print the name of each isomer as it is read. Defaults to
False.
"""
# Open the output file.
out = h5py.File(output_name, 'w', libver='earliest')
# Write comments, if given. This commented out comment is the one used for
# the library distributed with OpenMC.
#comment = ('This data is extracted from ENDF/B-VII.1 library. Thanks '
# 'evaluators, for all your hard work :) Citation: '
# 'M. B. Chadwick, M. Herman, P. Oblozinsky, '
# 'M. E. Dunn, Y. Danon, A. C. Kahler, D. L. Smith, '
# 'B. Pritychenko, G. Arbanas, R. Arcilla, R. Brewer, '
# 'D. A. Brown, R. Capote, A. D. Carlson, Y. S. Cho, H. Derrien, '
# 'K. Guber, G. M. Hale, S. Hoblit, S. Holloway, T. D. Johnson, '
# 'T. Kawano, B. C. Kiedrowski, H. Kim, S. Kunieda, '
# 'N. M. Larson, L. Leal, J. P. Lestone, R. C. Little, '
# 'E. A. McCutchan, R. E. MacFarlane, M. MacInnes, '
# 'C. M. Mattoon, R. D. McKnight, S. F. Mughabghab, '
# 'G. P. A. Nobre, G. Palmiotti, A. Palumbo, M. T. Pigni, '
# 'V. G. Pronyaev, R. O. Sayer, A. A. Sonzogni, N. C. Summers, '
# 'P. Talou, I. J. Thompson, A. Trkov, R. L. Vogt, '
# 'S. C. van der Marck, A. Wallner, M. C. White, D. Wiarda, '
# 'and P. G. Young. ENDF/B-VII.1 nuclear data for science and '
# 'technology: Cross sections, covariances, fission product '
# 'yields and decay data", Nuclear Data Sheets, '
# '112(12):2887-2996 (2011).')
if comment is not None:
out.attrs['comment'] = np.string_(comment)
# Declare the order of the components. Use fixed-length numpy strings
# because they work well with h5py.
labels = np.array(('EFR', 'ENP', 'END', 'EGP', 'EGD', 'EB', 'ENU', 'ER',
'ET'), dtype='S3')
out.attrs['component order'] = labels
# Iterate over the given files.
if verbose: print('Reading ENDF files:')
for fname in endf_files:
if verbose: print(fname)
ev = Evaluation(fname)
# Skip non-fissionable nuclides.
if not ev.target['fissionable']:
continue
# Get the important bits.
data = _extract_458_data(ev)
if data is None: continue
value, uncertainty = data
# Make a group for this isomer.
name = ATOMIC_SYMBOL[ev.target['atomic_number']] + \
str(ev.target['mass_number'])
if ev.target['isomeric_state'] != 0:
name += '_m' + str(ev.target['isomeric_state'])
nuclide_group = out.create_group(name)
# Write all the coefficients into one array. The first dimension gives
# the component (e.g. fragments or prompt neutrons); the second switches
# between value and uncertainty; the third gives the polynomial order.
n_coeffs = len(value['EFR'])
data_out = np.zeros((len(labels), 2, n_coeffs))
for i, label in enumerate(labels):
data_out[i, 0, :] = value[label.decode()]
data_out[i, 1, :] = uncertainty[label.decode()]
nuclide_group.create_dataset('data', data=data_out)
out.close()
class FissionEnergyRelease(EqualityMixin):
"""Energy relased by fission reactions.
Energy is carried away from fission reactions by many different particles.
The attributes of this class specify how much energy is released in the form
of fission fragments, neutrons, photons, etc. Each component is also (in
general) a function of the incident neutron energy.
Following a fission reaction, most of the energy release is carried by the
daughter nuclei fragments. These fragments accelerate apart from the
Coulomb force on the time scale of ~10^-20 s [1]. Those fragments emit
prompt neutrons between ~10^-18 and ~10^-13 s after scission (although some
prompt neutrons may come directly from the scission point) [1]. Prompt
photons follow with a time scale of ~10^-14 to ~10^-7 s [1]. The fission
products then emit delayed neutrons with half lives between 0.1 and 100 s.
The remaining fission energy comes from beta decays of the fission products
which release beta particles, photons, and neutrinos (that escape the
reactor and do not produce usable heat).
Use the class methods to instantiate this class from an HDF5 or ENDF
dataset. The :meth:`FissionEnergyRelease.from_hdf5` method builds this
class from the usual OpenMC HDF5 data files.
:meth:`FissionEnergyRelease.from_endf` uses ENDF-formatted data.
:meth:`FissionEnergyRelease.from_compact_hdf5` uses a different HDF5 format
that is meant to be compact and store the exact same data as the ENDF
format. Files with this format can be generated with the
:func:`openmc.data.write_compact_458_library` function.
References
----------
[1] D. G. Madland, "Total prompt energy release in the neutron-induced
fission of ^235U, ^238U, and ^239Pu", Nuclear Physics A 772:113--137 (2006).
<http://dx.doi.org/10.1016/j.nuclphysa.2006.03.013>
Attributes
----------
fragments : Callable
Function that accepts incident neutron energy value(s) and returns the
kinetic energy of the fission daughter nuclides (after prompt neutron
emission).
prompt_neutrons : Callable
Function of energy that returns the kinetic energy of prompt fission
neutrons.
delayed_neutrons : Callable
Function of energy that returns the kinetic energy of delayed neutrons
emitted from fission products.
prompt_photons : Callable
Function of energy that returns the kinetic energy of prompt fission
photons.
delayed_photons : Callable
Function of energy that returns the kinetic energy of delayed photons.
betas : Callable
Function of energy that returns the kinetic energy of delayed beta
particles.
neutrinos : Callable
Function of energy that returns the kinetic energy of neutrinos.
recoverable : Callable
Function of energy that returns the kinetic energy of all products that
can be absorbed in the reactor (all of the energy except for the
neutrinos).
total : Callable
Function of energy that returns the kinetic energy of all products.
q_prompt : Callable
Function of energy that returns the prompt fission Q-value (fragments +
prompt neutrons + prompt photons - incident neutron energy).
q_recoverable : Callable
Function of energy that returns the recoverable fission Q-value
(total release - neutrinos - incident neutron energy). This value is
sometimes referred to as the pseudo-Q-value.
q_total : Callable
Function of energy that returns the total fission Q-value (total release
- incident neutron energy).
"""
def __init__(self):
self._fragments = None
self._prompt_neutrons = None
self._delayed_neutrons = None
self._prompt_photons = None
self._delayed_photons = None
self._betas = None
self._neutrinos = None
@property
def fragments(self):
return self._fragments
@property
def prompt_neutrons(self):
return self._prompt_neutrons
@property
def delayed_neutrons(self):
return self._delayed_neutrons
@property
def prompt_photons(self):
return self._prompt_photons
@property
def delayed_photons(self):
return self._delayed_photons
@property
def betas(self):
return self._betas
@property
def neutrinos(self):
return self._neutrinos
@property
def recoverable(self):
return Sum([self.fragments, self.prompt_neutrons, self.delayed_neutrons,
self.prompt_photons, self.delayed_photons, self.betas])
@property
def total(self):
return Sum([self.fragments, self.prompt_neutrons, self.delayed_neutrons,
self.prompt_photons, self.delayed_photons, self.betas,
self.neutrinos])
@property
def q_prompt(self):
return Sum([self.fragments, self.prompt_neutrons, self.prompt_photons,
lambda E: -E])
@property
def q_recoverable(self):
return Sum([self.recoverable, lambda E: -E])
@property
def q_total(self):
return Sum([self.total, lambda E: -E])
@fragments.setter
def fragments(self, energy_release):
cv.check_type('fragments', energy_release, Callable)
self._fragments = energy_release
@prompt_neutrons.setter
def prompt_neutrons(self, energy_release):
cv.check_type('prompt_neutrons', energy_release, Callable)
self._prompt_neutrons = energy_release
@delayed_neutrons.setter
def delayed_neutrons(self, energy_release):
cv.check_type('delayed_neutrons', energy_release, Callable)
self._delayed_neutrons = energy_release
@prompt_photons.setter
def prompt_photons(self, energy_release):
cv.check_type('prompt_photons', energy_release, Callable)
self._prompt_photons = energy_release
@delayed_photons.setter
def delayed_photons(self, energy_release):
cv.check_type('delayed_photons', energy_release, Callable)
self._delayed_photons = energy_release
@betas.setter
def betas(self, energy_release):
cv.check_type('betas', energy_release, Callable)
self._betas = energy_release
@neutrinos.setter
def neutrinos(self, energy_release):
cv.check_type('neutrinos', energy_release, Callable)
self._neutrinos = energy_release
@classmethod
def _from_dictionary(cls, energy_release, incident_neutron):
"""Generate fission energy release data from a dictionary.
Parameters
----------
energy_release : dict of str to list of float
Dictionary that gives lists of coefficients for each energy
component. The keys are the 2-3 letter strings used in ENDF-102,
e.g. 'EFR' and 'ET'. The list will have a length of 1 for Sher-Beck
data, more for polynomial data.
incident_neutron : openmc.data.IncidentNeutron
Corresponding incident neutron dataset
Returns
-------
openmc.data.FissionEnergyRelease
Fission energy release data
"""
out = cls()
# How many coefficients are given for each component? If we only find
# one value for each, then we need to use the Sher-Beck formula for
# energy dependence. Otherwise, it is a polynomial.
n_coeffs = len(energy_release['EFR'])
if n_coeffs > 1:
out.fragments = Polynomial(energy_release['EFR'])
out.prompt_neutrons = Polynomial(energy_release['ENP'])
out.delayed_neutrons = Polynomial(energy_release['END'])
out.prompt_photons = Polynomial(energy_release['EGP'])
out.delayed_photons = Polynomial(energy_release['EGD'])
out.betas = Polynomial(energy_release['EB'])
out.neutrinos = Polynomial(energy_release['ENU'])
else:
# EFR and ENP are energy independent. Use 0-order polynomials to
# make a constant function. The energy-dependence of END is
# unspecified in ENDF-102 so assume it is independent.
out.fragments = Polynomial((energy_release['EFR'][0]))
out.prompt_photons = Polynomial((energy_release['EGP'][0]))
out.delayed_neutrons = Polynomial((energy_release['END'][0]))
# EDP, EB, and ENU are linear.
out.delayed_photons = Polynomial((energy_release['EGD'][0], -0.075))
out.betas = Polynomial((energy_release['EB'][0], -0.075))
out.neutrinos = Polynomial((energy_release['ENU'][0], -0.105))
# Prompt neutrons require nu-data. It is not clear from ENDF-102
# whether prompt or total nu value should be used, but the delayed
# neutron fraction is so small that the difference is negligible.
# MT=18 (n, fission) might not be available so try MT=19 (n, f) as
# well.
if 18 in incident_neutron.reactions:
nu = [p.yield_ for p in incident_neutron[18].products
if p.particle == 'neutron'
and p.emission_mode in ('prompt', 'total')]
elif 19 in incident_neutron.reactions:
nu = [p.yield_ for p in incident_neutron[19].products
if p.particle == 'neutron'
and p.emission_mode in ('prompt', 'total')]
else:
raise ValueError('IncidentNeutron data has no fission '
'reaction.')
if len(nu) == 0:
raise ValueError('Nu data is needed to compute fission energy '
'release with the Sher-Beck format.')
if len(nu) > 1:
raise ValueError('Ambiguous prompt/total nu value.')
nu = nu[0]
if isinstance(nu, Tabulated1D):
ENP = deepcopy(nu)
ENP.y = (energy_release['ENP'] + 1.307 * nu.x
- 8.07e6 * (nu.y - nu.y[0]))
elif isinstance(nu, Polynomial):
if len(nu) == 1:
ENP = Polynomial([energy_release['ENP'][0], 1.307])
else:
ENP = Polynomial(
[energy_release['ENP'][0], 1.307 - 8.07e6*nu.coef[1]]
+ [-8.07e6*c for c in nu.coef[2:]])
out.prompt_neutrons = ENP
return out
@classmethod
def from_endf(cls, ev, incident_neutron):
"""Generate fission energy release data from an ENDF file.
Parameters
----------
ev : openmc.data.endf.Evaluation
ENDF evaluation
incident_neutron : openmc.data.IncidentNeutron
Corresponding incident neutron dataset
Returns
-------
openmc.data.FissionEnergyRelease
Fission energy release data
"""
cv.check_type('evaluation', ev, Evaluation)
# Check to make sure this ENDF file matches the expected isomer.
if ev.target['atomic_number'] != incident_neutron.atomic_number:
raise ValueError('The atomic number of the ENDF evaluation does '
'not match the given IncidentNeutron.')
if ev.target['mass_number'] != incident_neutron.mass_number:
raise ValueError('The atomic mass of the ENDF evaluation does '
'not match the given IncidentNeutron.')
if ev.target['isomeric_state'] != incident_neutron.metastable:
raise ValueError('The metastable state of the ENDF evaluation does '
'not match the given IncidentNeutron.')
if not ev.target['fissionable']:
raise ValueError('The ENDF evaluation is not fissionable.')
# Read the 458 data from the ENDF file.
value, uncertainty = _extract_458_data(ev)
# Build the object.
return cls._from_dictionary(value, incident_neutron)
@classmethod
def from_hdf5(cls, group):
"""Generate fission energy release data from an HDF5 group.
Parameters
----------
group : h5py.Group
HDF5 group to read from
Returns
-------
openmc.data.FissionEnergyRelease
Fission energy release data
"""
obj = cls()
obj.fragments = Function1D.from_hdf5(group['fragments'])
obj.prompt_neutrons = Function1D.from_hdf5(group['prompt_neutrons'])
obj.delayed_neutrons = Function1D.from_hdf5(group['delayed_neutrons'])
obj.prompt_photons = Function1D.from_hdf5(group['prompt_photons'])
obj.delayed_photons = Function1D.from_hdf5(group['delayed_photons'])
obj.betas = Function1D.from_hdf5(group['betas'])
obj.neutrinos = Function1D.from_hdf5(group['neutrinos'])
return obj
@classmethod
def from_compact_hdf5(cls, fname, incident_neutron):
"""Generate fission energy release data from a small HDF5 library.
Parameters
----------
fname : str
Path to an HDF5 file containing fission energy release data. This
file should have been generated form the
:func:`openmc.data.write_compact_458_library` function.
incident_neutron : openmc.data.IncidentNeutron
Corresponding incident neutron dataset
Returns
-------
openmc.data.FissionEnergyRelease or None
Fission energy release data for the given nuclide if it is present
in the data file
"""
fin = h5py.File(fname, 'r')
components = [s.decode() for s in fin.attrs['component order']]
nuclide_name = ATOMIC_SYMBOL[incident_neutron.atomic_number]
nuclide_name += str(incident_neutron.mass_number)
if incident_neutron.metastable != 0:
nuclide_name += '_m' + str(incident_neutron.metastable)
if nuclide_name not in fin: return None
data = {c: fin[nuclide_name + '/data'][i, 0, :]
for i, c in enumerate(components)}
return cls._from_dictionary(data, incident_neutron)
def to_hdf5(self, group):
"""Write energy release data to an HDF5 group
Parameters
----------
group : h5py.Group
HDF5 group to write to
"""
self.fragments.to_hdf5(group, 'fragments')
self.prompt_neutrons.to_hdf5(group, 'prompt_neutrons')
self.delayed_neutrons.to_hdf5(group, 'delayed_neutrons')
self.prompt_photons.to_hdf5(group, 'prompt_photons')
self.delayed_photons.to_hdf5(group, 'delayed_photons')
self.betas.to_hdf5(group, 'betas')
self.neutrinos.to_hdf5(group, 'neutrinos')
if isinstance(self.prompt_neutrons, Polynomial):
# Add the polynomials for the relevant components together. Use a
# Polynomial((0.0, -1.0)) to subtract incident energy.
q_prompt = (self.fragments + self.prompt_neutrons +
self.prompt_photons + Polynomial((0.0, -1.0)))
q_prompt.to_hdf5(group, 'q_prompt')
q_recoverable = (self.fragments + self.prompt_neutrons +
self.delayed_neutrons + self.prompt_photons +
self.delayed_photons + self.betas +
Polynomial((0.0, -1.0)))
q_recoverable.to_hdf5(group, 'q_recoverable')
elif isinstance(self.prompt_neutrons, Tabulated1D):
# Make a Tabulated1D and evaluate the polynomial components at the
# table x points to get new y points. Subtract x from y to remove
# incident energy.
q_prompt = deepcopy(self.prompt_neutrons)
q_prompt.y += self.fragments(q_prompt.x)
q_prompt.y += self.prompt_photons(q_prompt.x)
q_prompt.y -= q_prompt.x
q_prompt.to_hdf5(group, 'q_prompt')
q_recoverable = q_prompt
q_recoverable.y += self.delayed_neutrons(q_recoverable.x)
q_recoverable.y += self.delayed_photons(q_recoverable.x)
q_recoverable.y += self.betas(q_recoverable.x)
q_recoverable.to_hdf5(group, 'q_recoverable')
else:
raise ValueError('Unrecognized energy release format')
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