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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 openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
from .data import EV_PER_MEV
from .endf import (
as_evaluation, get_cont_record, get_list_record, get_tab1_record)
from .function import Function1D, Tabulated1D, Polynomial, sum_functions
_NAMES = (
'fragments', 'prompt_neutrons', 'delayed_neutrons',
'prompt_photons', 'delayed_photons', 'betas',
'neutrinos', 'recoverable', 'total'
)
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.
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).
<https://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, fragments, prompt_neutrons, delayed_neutrons,
prompt_photons, delayed_photons, betas, neutrinos):
self.fragments = fragments
self.prompt_neutrons = prompt_neutrons
self.delayed_neutrons = delayed_neutrons
self.prompt_photons = prompt_photons
self.delayed_photons = delayed_photons
self.betas = betas
self.neutrinos = neutrinos
@property
def fragments(self):
return self._fragments
@fragments.setter
def fragments(self, energy_release):
cv.check_type('fragments', energy_release, Callable)
self._fragments = energy_release
@property
def prompt_neutrons(self):
return self._prompt_neutrons
@prompt_neutrons.setter
def prompt_neutrons(self, energy_release):
cv.check_type('prompt_neutrons', energy_release, Callable)
self._prompt_neutrons = energy_release
@property
def delayed_neutrons(self):
return self._delayed_neutrons
@delayed_neutrons.setter
def delayed_neutrons(self, energy_release):
cv.check_type('delayed_neutrons', energy_release, Callable)
self._delayed_neutrons = energy_release
@property
def prompt_photons(self):
return self._prompt_photons
@prompt_photons.setter
def prompt_photons(self, energy_release):
cv.check_type('prompt_photons', energy_release, Callable)
self._prompt_photons = energy_release
@property
def delayed_photons(self):
return self._delayed_photons
@delayed_photons.setter
def delayed_photons(self, energy_release):
cv.check_type('delayed_photons', energy_release, Callable)
self._delayed_photons = energy_release
@property
def betas(self):
return self._betas
@betas.setter
def betas(self, energy_release):
cv.check_type('betas', energy_release, Callable)
self._betas = energy_release
@property
def neutrinos(self):
return self._neutrinos
@neutrinos.setter
def neutrinos(self, energy_release):
cv.check_type('neutrinos', energy_release, Callable)
self._neutrinos = energy_release
@property
def recoverable(self):
components = ['fragments', 'prompt_neutrons', 'delayed_neutrons',
'prompt_photons', 'delayed_photons', 'betas']
return sum_functions(getattr(self, c) for c in components)
@property
def total(self):
components = ['fragments', 'prompt_neutrons', 'delayed_neutrons',
'prompt_photons', 'delayed_photons', 'betas',
'neutrinos']
return sum_functions(getattr(self, c) for c in components)
@property
def q_prompt(self):
# Use a polynomial to subtract incident energy.
funcs = [self.fragments, self.prompt_neutrons, self.prompt_photons,
Polynomial((0.0, -1.0))]
return sum_functions(funcs)
@property
def q_recoverable(self):
# Use a polynomial to subtract incident energy.
return sum_functions([self.recoverable, Polynomial((0.0, -1.0))])
@property
def q_total(self):
# Use a polynomial to subtract incident energy.
return sum_functions([self.total, Polynomial((0.0, -1.0))])
@classmethod
def from_endf(cls, ev, incident_neutron):
"""Generate fission energy release data from an ENDF file.
Parameters
----------
ev : openmc.data.endf.Evaluation or endf.Material
ENDF evaluation
incident_neutron : openmc.data.IncidentNeutron
Corresponding incident neutron dataset
Returns
-------
openmc.data.FissionEnergyRelease
Fission energy release data
"""
ev = as_evaluation(ev)
# 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.')
if (1, 458) not in ev.section:
raise ValueError('ENDF evaluation does not have MF=1, MT=458.')
file_obj = StringIO(ev.section[1, 458])
# Read first record and check whether any components appear as
# tabulated functions
items = get_cont_record(file_obj)
lfc = items[3]
nfc = items[5]
# Parse the ENDF LIST into an array.
items, data = get_list_record(file_obj)
npoly = items[3]
# Associate each set of values and uncertainties with its label.
functions = {}
for i, name in enumerate(_NAMES):
coeffs = data[2*i::18]
# Ignore recoverable and total since we recalculate those directly
if name in ('recoverable', 'total'):
continue
# In ENDF/B-VII.1, data for 2nd-order coefficients were mistakenly
# not converted from MeV to eV. Check for this error and fix it if
# present.
if npoly == 2: # Only check 2nd-order data.
# If a 5 MeV neutron causes a change of more than 100 MeV, we
# know something is wrong.
second_order = coeffs[2]
if abs(second_order) * (5e6)**2 > 1e8:
# If we found the error, reduce 2nd-order coeff by 10**6.
coeffs[2] /= EV_PER_MEV
# If multiple coefficients were given, we can create the polynomial
# and move on to the next component
if npoly > 0:
functions[name] = Polynomial(coeffs)
continue
# If a single coefficient was given, we need to use the Sher-Beck
# formula for energy dependence
zeroth_order = coeffs[0]
if name in ('delayed_photons', 'betas'):
func = Polynomial((zeroth_order, -0.075))
elif name == 'neutrinos':
func = Polynomial((zeroth_order, -0.105))
elif name == 'prompt_neutrons':
# 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 and not incident_neutron[18].redundant:
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:
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):
# Evaluate Sher-Beck polynomial form at each tabulated value
func = deepcopy(nu)
func.y = (zeroth_order + 1.307*nu.x - 8.07e6*(nu.y - nu.y[0]))
elif isinstance(nu, Polynomial):
# Combine polynomials
if len(nu) == 1:
func = Polynomial([zeroth_order, 1.307])
else:
func = Polynomial(
[zeroth_order, 1.307 - 8.07e6*nu.coef[1]]
+ [-8.07e6*c for c in nu.coef[2:]])
else:
func = Polynomial(coeffs)
functions[name] = func
# Check for tabulated data
if lfc == 1:
for _ in range(nfc):
# Get tabulated function
items, eifc = get_tab1_record(file_obj)
# Determine which component it is
ifc = items[3]
name = _NAMES[ifc - 1]
# Replace value in dictionary
functions[name] = eifc
# Build the object
return cls(**functions)
@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
"""
fragments = Function1D.from_hdf5(group['fragments'])
prompt_neutrons = Function1D.from_hdf5(group['prompt_neutrons'])
delayed_neutrons = Function1D.from_hdf5(group['delayed_neutrons'])
prompt_photons = Function1D.from_hdf5(group['prompt_photons'])
delayed_photons = Function1D.from_hdf5(group['delayed_photons'])
betas = Function1D.from_hdf5(group['betas'])
neutrinos = Function1D.from_hdf5(group['neutrinos'])
return cls(fragments, prompt_neutrons, delayed_neutrons, prompt_photons,
delayed_photons, betas, neutrinos)
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')
self.q_prompt.to_hdf5(group, 'q_prompt')
self.q_recoverable.to_hdf5(group, 'q_recoverable')
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