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add to existing temp interp test, update doccs

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josh 2022-10-13 21:24:25 +00:00
parent 3e2ddceaac
commit b0a300aedc
2 changed files with 113 additions and 16 deletions
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8
docs/source/io_formats/settings.rst
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@ -875,10 +875,10 @@ cell temperature is 340 K and the tolerance is 15 K, then the closest
temperature in the range of 325 K to 355 K will be used to evaluate cross
sections. If the ``<temperature_method>`` is "interpolation", the tolerance
specified applies to cell temperatures outside of the data bounds. For example,
If a cell is specified at 695K, a tolerance of 15K and data only available at
700K and 1000K, the cell's cross sections will be evaluated at 700K, since
desired temperature of 695K is within the tolerance of the actual data despite
not being bounded on both sides.
if a cell is specified at 695K, a tolerance of 15K and data is only available
at 700K and 1000K, the cell's cross sections will be evaluated at 700K, since
the desired temperature of 695K is within the tolerance of the actual data
despite not being bounded on both sides.
*Default*: 10 K

121
tests/unit_tests/test_temp_interp.py
View file

@ -86,6 +86,70 @@ def make_fake_cross_section():
lib.export_to_xml('cross_sections_fake.xml')
def fake_thermal_scattering():
"""Create a fake thermal scattering library for U-235 at 294K and 600K
"""
fake_tsl = openmc.data.ThermalScattering("c_U_fake", 1.9968, 4.9, [0.0253])
fake_tsl.nuclides = ['U235']
# Create elastic reaction
bragg_edges = [0.00370672, 0.00494229]
factors = [0.00375735, 0.01386287]
coherent_xs = openmc.data.CoherentElastic(bragg_edges, factors)
incoherent_xs_294 = openmc.data.Tabulated1D([0.00370672, 0.00370672], [0.00370672, 0.00370672])
elastic_xs_base = openmc.data.Sum((coherent_xs, incoherent_xs_294))
elastic_xs = {'294K': elastic_xs_base, '600K': elastic_xs_base}
coherent_dist = openmc.data.CoherentElasticAE(coherent_xs)
incoherent_dist_294 = openmc.data.IncoherentElasticAEDiscrete([
[-0.6, -0.18, 0.18, 0.6], [-0.6, -0.18, 0.18, 0.6]
])
incoherent_dist_600 = openmc.data.IncoherentElasticAEDiscrete([
[-0.1, -0.2, 0.2, 0.1], [-0.1, -0.2, 0.2, 0.1]
])
elastic_dist = {
'294K': openmc.data.MixedElasticAE(coherent_dist, incoherent_dist_294),
'600K': openmc.data.MixedElasticAE(coherent_dist, incoherent_dist_600)
}
fake_tsl.elastic = openmc.data.ThermalScatteringReaction(elastic_xs, elastic_dist)
# Create inelastic reaction
inelastic_xs = {
'294K': openmc.data.Tabulated1D([1.0e-5, 4.9], [13.4, 3.35]),
'600K': openmc.data.Tabulated1D([1.0e-2, 10], [1.4, 5])
}
breakpoints = [3]
interpolation = [2]
energy = [1.0e-5, 4.3e-2, 4.9]
energy_out = [
openmc.data.Tabular([0.0002, 0.067, 0.146, 0.366], [0.25, 0.25, 0.25, 0.25]),
openmc.data.Tabular([0.0001, 0.009, 0.137, 0.277], [0.25, 0.25, 0.25, 0.25]),
openmc.data.Tabular([0.0579, 4.555, 4.803, 4.874], [0.25, 0.25, 0.25, 0.25]),
]
for eout in energy_out:
eout.normalize()
eout.c = eout.cdf()
discrete = openmc.stats.Discrete([-0.9, -0.6, -0.3, -0.1, 0.1, 0.3, 0.6, 0.9], [1/8]*8)
discrete.c = discrete.cdf()[1:]
mu = [[discrete]*4]*3
dist = openmc.data.IncoherentInelasticAE(
breakpoints, interpolation, energy, energy_out, mu)
inelastic_dist = {'294K': dist, '600K': dist}
inelastic = openmc.data.ThermalScatteringReaction(inelastic_xs, inelastic_dist)
fake_tsl.inelastic = inelastic
return fake_tsl
def edit_fake_cross_sections():
"""Edit the test cross sections xml to include fake thermal scattering data
"""
lib = openmc.data.DataLibrary.from_xml("cross_sections_fake.xml")
c_U_fake = fake_thermal_scattering()
c_U_fake.export_to_hdf5("c_U_fake.h5")
lib.register_file("c_U_fake.h5")
lib.export_to_xml("cross_sections_fake.xml")
@pytest.fixture(scope='module')
def model(tmp_path_factory):
tmp_path = tmp_path_factory.mktemp("temp_interp")
@ -119,21 +183,23 @@ def model(tmp_path_factory):
@pytest.mark.parametrize(
["method", "temperature", "fission_expected"],
["method", "temperature", "fission_expected", "tolerance"],
[
("nearest", 300.0, 0.5),
("nearest", 600.0, 1.0),
("nearest", 900.0, 0.5),
("interpolation", 360.0, 0.6),
("interpolation", 450.0, 0.75),
("interpolation", 540.0, 0.9),
("interpolation", 660.0, 0.9),
("interpolation", 750.0, 0.75),
("interpolation", 840.0, 0.6),
("nearest", 300.0, 0.5, 10),
("nearest", 600.0, 1.0, 10),
("nearest", 900.0, 0.5, 10),
("interpolation", 360.0, 0.6, 10),
("interpolation", 450.0, 0.75, 10),
("interpolation", 540.0, 0.9, 10),
("interpolation", 660.0, 0.9, 10),
("interpolation", 750.0, 0.75, 10),
("interpolation", 840.0, 0.6, 10),
("interpolation", 295.0, 0.5, 10),
("interpolation", 990.0, 0.5, 100),
]
)
def test_interpolation(model, method, temperature, fission_expected):
model.settings.temperature = {'method': method, 'default': temperature}
def test_interpolation(model, method, temperature, fission_expected, tolerance):
model.settings.temperature = {'method': method, 'default': temperature, "tolerance": tolerance}
sp_filename = model.run()
with openmc.StatePoint(sp_filename) as sp:
t = sp.tallies[model.tallies[0].id]
@ -152,3 +218,34 @@ def test_interpolation(model, method, temperature, fission_expected):
assert k.n == pytest.approx(nu*fission_expected)
else:
assert abs(k.n - nu*fission_expected) <= 3*k.s
def test_temperature_interpolation_tolerance(model):
"""Test applying global and cell temperatures with thermal scattering libraries
"""
edit_fake_cross_sections()
model.materials[0].add_s_alpha_beta("c_U_fake")
# Default k-effective, using the thermal scattering data's minimum available temperature
model.settings.temperature = {'method': "nearest", 'default': 294, "tolerance": 50}
sp_filename = model.run()
with openmc.StatePoint(sp_filename) as sp:
default_k = sp.keff.n
# Get k-effective with temperature below the minimum but in interpolation mode
model.settings.temperature = {'method': "interpolation", 'default': 255, "tolerance": 50}
sp_filename = model.run()
with openmc.StatePoint(sp_filename) as sp:
interpolated_k = sp.keff.n
# Get the k-effective with the temperature applied to the cell, instead of globally
model.settings.temperature = {'method': "interpolation", 'default': 500, "tolerance": 50}
for cell in model.geometry.get_all_cells().values():
cell.temperature = 275
sp_filename = model.run()
with openmc.StatePoint(sp_filename) as sp:
cell_k = sp.keff.n
# All calculated k-effectives should be equal
assert default_k == pytest.approx(interpolated_k)
assert interpolated_k == pytest.approx(cell_k)