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Merge pull request #1408 from amandalund/urr-parameters

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Unresolved Resonance Parameters
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Paul Romano 2019-11-15 07:23:34 -06:00 • committed by GitHub
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1 changed files with 56 additions and 23 deletions
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79
openmc/data/resonance.py
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@ -430,7 +430,7 @@ class MultiLevelBreitWigner(ResonanceRange):
# Determine penetration at modified energy for competitive reaction
if gx > 0:
Ex = E + self.q[l]*(A + 1)/A
Ex = E + self.q_value[l]*(A + 1)/A
rho = k*self.channel_radius[l](Ex)
rhohat = k*self.scattering_radius[l](Ex)
px[i], sx[i] = penetration_shift(l, rho)
@ -915,7 +915,9 @@ class Unresolved(ResonanceRange):
Minimum energy of the unresolved resonance range in eV
energy_max : float
Maximum energy of the unresolved resonance range in eV
scatter : openmc.data.Function1D
channel : openmc.data.Function1D
Channel radii as a function of energy
scattering : openmc.data.Function1D
Scattering radii as a function of energy
Attributes
@ -923,6 +925,10 @@ class Unresolved(ResonanceRange):
add_to_background : bool
If True, file 3 contains partial cross sections to be added to the
average unresolved cross sections calculated from parameters.
atomic_weight_ratio : float
Atomic weight ratio of the target nuclide
channel_radius : openmc.data.Function1D
Channel radii as a function of energy
energies : Iterable of float
Energies at which parameters are tabulated
energy_max : float
@ -938,11 +944,13 @@ class Unresolved(ResonanceRange):
"""
def __init__(self, target_spin, energy_min, energy_max, scatter):
super().__init__(target_spin, energy_min, energy_max, None, scatter)
def __init__(self, target_spin, energy_min, energy_max, channel, scattering):
super().__init__(target_spin, energy_min, energy_max, channel,
scattering)
self.energies = None
self.parameters = None
self.add_to_background = False
self.atomic_weight_ratio = None
@classmethod
def from_endf(cls, file_obj, items, fission_widths):
@ -967,9 +975,9 @@ class Unresolved(ResonanceRange):
"""
# Read energy-dependent scattering radius if present
energy_min, energy_max = items[0:2]
nro = items[4]
nro, naps = items[4:6]
if nro != 0:
params, scattering_radius = get_tab1_record(file_obj)
params, ape = get_tab1_record(file_obj)
# Get SPI, AP, and LSSF
formalism = items[3]
@ -977,22 +985,23 @@ class Unresolved(ResonanceRange):
items = get_cont_record(file_obj)
target_spin = items[0]
if nro == 0:
scattering_radius = items[1]
ap = Polynomial((items[1],))
add_to_background = (items[2] == 0)
if not fission_widths and formalism == 1:
# Case A -- fission widths not given, all parameters are
# energy-independent
NLS = items[4]
columns = ['L', 'J', 'd', 'amun', 'gn', 'gg', 'gf']
columns = ['L', 'J', 'd', 'amun', 'gn0', 'gg']
records = []
for ls in range(NLS):
items, values = get_list_record(file_obj)
awri = items[0]
l = items[2]
NJS = items[5]
for j in range(NJS):
d, j, amun, gn, gg = values[6*j:6*j + 5]
records.append([l, j, d, amun, gn, gg, 0.0])
d, j, amun, gn0, gg = values[6*j:6*j + 5]
records.append([l, j, d, amun, gn0, gg])
parameters = pd.DataFrame.from_records(records, columns=columns)
energies = None
@ -1002,14 +1011,14 @@ class Unresolved(ResonanceRange):
items, energies = get_list_record(file_obj)
target_spin = items[0]
if nro == 0:
scattering_radius = items[1]
ap = Polynomial((items[1],))
add_to_background = (items[2] == 0)
NE, NLS = items[4:6]
l_values = np.zeros(NLS, int)
records = [[] for e in energies]
columns = ['L', 'J', 'd', 'amun', 'gn0', 'gg', 'gf']
records = []
columns = ['L', 'J', 'E', 'd', 'amun', 'amuf', 'gn0', 'gg', 'gf']
for ls in range(NLS):
items = get_cont_record(file_obj)
awri = items[0]
l = items[2]
NJS = items[4]
for j in range(NJS):
@ -1020,18 +1029,20 @@ class Unresolved(ResonanceRange):
amun = values[2]
gn0 = values[3]
gg = values[4]
gf = values[6:]
for k, gf_i in enumerate(gf):
records[k].append([l, j, d, amun, gn0, gg, gf])
parameters = [pd.DataFrame(r, columns=columns) for r in records]
gfs = values[6:]
for E, gf in zip(energies, gfs):
records.append([l, j, E, d, amun, muf, gn0, gg, gf])
parameters = pd.DataFrame.from_records(records, columns=columns)
elif formalism == 2:
# Case C -- all parameters are energy-dependent
NLS = items[4]
columns = ['L', 'J', 'E', 'd', 'gx', 'gn0', 'gg', 'gf']
columns = ['L', 'J', 'E', 'd', 'amux', 'amun', 'amuf', 'gx', 'gn0',
'gg', 'gf']
records = []
for ls in range(NLS):
items = get_cont_record(file_obj)
awri = items[0]
l = items[2]
NJS = items[4]
for j in range(NJS):
@ -1040,8 +1051,8 @@ class Unresolved(ResonanceRange):
j = items[0]
amux = values[2]
amun = values[3]
amug = values[4]
amuf = values[5]
energies = []
for k in range(1, ne + 1):
E = values[6*k]
d = values[6*k + 1]
@ -1049,13 +1060,35 @@ class Unresolved(ResonanceRange):
gn0 = values[6*k + 3]
gg = values[6*k + 4]
gf = values[6*k + 5]
records.append([l, j, E, d, gx, gn0, gg, gf])
energies.append(E)
records.append([l, j, E, d, amux, amun, amuf, gx, gn0,
gg, gf])
parameters = pd.DataFrame.from_records(records, columns=columns)
energies = None
urr = cls(target_spin, energy_min, energy_max, scattering_radius)
# Calculate channel radius from ENDF-102 equation D.14
a = Polynomial((0.123 * (NEUTRON_MASS*awri)**(1./3.) + 0.08,))
# Determine scattering and channel radius
if nro == 0:
scattering_radius = ap
if naps == 0:
channel_radius = a
elif naps == 1:
channel_radius = ap
elif nro == 1:
scattering_radius = ape
if naps == 0:
channel_radius = a
elif naps == 1:
channel_radius = ape
elif naps == 2:
channel_radius = ap
urr = cls(target_spin, energy_min, energy_max, channel_radius,
scattering_radius)
urr.parameters = parameters
urr.add_to_background = add_to_background
urr.atomic_weight_ratio = awri
urr.energies = energies
return urr