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Add methods on Material class for waste disposal rating / classification (#3366)
Co-authored-by: Ethan Peterson <eepeterson3@gmail.com>
This commit is contained in:
Paul Romano
GitHub
parent
bd95b52f4d
commit
c1a4d43da8
4 changed files with 475 additions and 8 deletions
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@ -18,6 +18,7 @@ import openmc.checkvalue as cv
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from ._xml import clean_indentation, reorder_attributes
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from .mixin import IDManagerMixin
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from .utility_funcs import input_path
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from . import waste
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from openmc.checkvalue import PathLike
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from openmc.stats import Univariate, Discrete, Mixture
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from openmc.data.data import _get_element_symbol
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@ -30,6 +31,7 @@ DENSITY_UNITS = ('g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum',
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# Smallest normalized floating point number
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_SMALLEST_NORMAL = sys.float_info.min
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_BECQUEREL_PER_CURIE = 3.7e10
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NuclideTuple = namedtuple('NuclideTuple', ['name', 'percent', 'percent_type'])
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@ -1058,7 +1060,6 @@ class Material(IDManagerMixin):
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nuc_densities.append(nuc.percent)
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nuc_density_types.append(nuc.percent_type)
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nucs = np.array(nucs)
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nuc_densities = np.array(nuc_densities)
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nuc_density_types = np.array(nuc_density_types)
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@ -1137,17 +1138,16 @@ class Material(IDManagerMixin):
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def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
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volume: float | None = None) -> dict[str, float] | float:
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"""Returns the activity of the material or for each nuclide in the
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material in units of [Bq], [Bq/g], [Bq/kg] or [Bq/cm3].
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"""Returns the activity of the material or of each nuclide within.
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.. versionadded:: 0.13.1
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Parameters
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----------
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units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
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units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Ci', 'Ci/m3'}
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Specifies the type of activity to return, options include total
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activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity
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[Bq/cm3]. Default is volumetric activity [Bq/cm3].
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activity [Bq,Ci], specific [Bq/g, Bq/kg] or volumetric activity
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[Bq/cm3,Ci/m3]. Default is volumetric activity [Bq/cm3].
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by_nuclide : bool
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Specifies if the activity should be returned for the material as a
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whole or per nuclide. Default is False.
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@ -1165,17 +1165,24 @@ class Material(IDManagerMixin):
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of the material is returned as a float.
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"""
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cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
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cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Ci', 'Ci/m3'})
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cv.check_type('by_nuclide', by_nuclide, bool)
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if volume is None:
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volume = self.volume
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if units == 'Bq':
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multiplier = volume if volume is not None else self.volume
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multiplier = volume
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elif units == 'Bq/cm3':
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multiplier = 1
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elif units == 'Bq/g':
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multiplier = 1.0 / self.get_mass_density()
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elif units == 'Bq/kg':
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multiplier = 1000.0 / self.get_mass_density()
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elif units == 'Ci':
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multiplier = volume / _BECQUEREL_PER_CURIE
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elif units == 'Ci/m3':
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multiplier = 1e6 / _BECQUEREL_PER_CURIE
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activity = {}
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for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
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@ -1316,6 +1323,83 @@ class Material(IDManagerMixin):
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raise ValueError("Volume must be set in order to determine mass.")
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return volume*self.get_mass_density(nuclide)
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def waste_classification(self, metal: bool = False) -> str:
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"""Classify the material for near-surface waste disposal.
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This method determines a waste classification for the material based on
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the NRC regulations (10 CFR 61.55). Note that the NRC regulations do not
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consider many long-lived radionuclides relevant to fusion systems; for
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fusion applications, it is recommended to calculate a waste disposal
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rating based on limits by Fetter et al. using the
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:meth:`~openmc.Material.waste_disposal_rating` method.
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Parameters
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----------
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metal : bool, optional
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Whether or not the material is in metal form.
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Returns
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-------
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str
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The waste disposal classification, which can be "Class A", "Class
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B", "Class C", or "GTCC" (greater than class C).
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"""
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return waste._waste_classification(self, metal=metal)
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def waste_disposal_rating(
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self,
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limits: str | dict[str, float] = 'Fetter',
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metal: bool = False,
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) -> float:
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"""Return the waste disposal rating for the material.
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This method returns a waste disposal rating for the material based on a
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set of specific activity limits. The waste disposal rating is a single
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number that represents the sum of the ratios of the specific activity
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for each radionuclide in the material against a nuclide-specific limit.
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A value less than 1.0 indicates that the material "meets" the limits
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whereas a value greater than 1.0 exceeds the limits.
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Note that the limits for NRC do not consider many long-lived
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radionuclides relevant to fusion systems. A paper by `Fetter et al.
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<https://doi.org/10.1016/0920-3796(90)90104-E>`_ applies the NRC
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methodology to calculate specific activity limits for an expanded set of
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radionuclides.
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Parameters
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----------
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limits : str or dict, optional
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The name of a predefined set of specific activity limits or a
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dictionary that contains specific activity limits for radionuclides,
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where keys are nuclide names and values are activities in units of
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[Ci/m3]. The predefined options are:
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- 'Fetter': Uses limits from Fetter et al. (1990)
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- 'NRC_long': Uses the 10 CFR 61.55 limits for long-lived
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radionuclides
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- 'NRC_short_A': Uses the 10 CFR 61.55 class A limits for
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short-lived radionuclides
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- 'NRC_short_B': Uses the 10 CFR 61.55 class B limits for
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short-lived radionuclides
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- 'NRC_short_C': Uses the 10 CFR 61.55 class C limits for
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short-lived radionuclides
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metal : bool, optional
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Whether or not the material is in metal form (only applicable for
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NRC based limits)
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Returns
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-------
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float
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The waste disposal rating for the material.
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See also
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--------
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Material.waste_classification()
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"""
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return waste._waste_disposal_rating(self, limits, metal)
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def clone(self, memo: dict | None = None) -> Material:
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"""Create a copy of this material with a new unique ID.
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279
openmc/waste.py
Normal file
279
openmc/waste.py
Normal file
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@ -0,0 +1,279 @@
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from __future__ import annotations
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import openmc
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from openmc.data import half_life
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def _waste_classification(mat: openmc.Material, metal: bool = True) -> str:
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"""Classify a material for near-surface waste disposal.
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This method determines a waste classification for a material based on the
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NRC regulations (10 CFR 61.55).
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Parameters
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----------
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mat : openmc.Material
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The material to classify.
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metal : bool, optional
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Whether or not the material is in metal form. This changes the
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acceptable limits in Tables 1 and 2 for certain nuclides.
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Returns
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-------
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str
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The waste disposal classification, which can be "Class A", "Class B",
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"Class C", or "GTCC" (greater than class C).
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"""
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# Determine metrics based on Tables 1 and 2 using sum of fractions rule for
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# mixture of radionuclides from §61.55(a)(7)
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ratio1 = _waste_disposal_rating(mat, 'NRC_long', metal=metal)
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ratio2 = [
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_waste_disposal_rating(mat, 'NRC_short_A', metal=metal),
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_waste_disposal_rating(mat, 'NRC_short_B', metal=metal),
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_waste_disposal_rating(mat, 'NRC_short_C', metal=metal),
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]
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# Determine which nuclides are present in Table 1 and Table 2
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table1_nuclides_present = (ratio1 > 0.0)
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table2_nuclides_present = any(x > 0.0 for x in ratio2)
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# Helper function for classifying based on Table 2
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def classify_table2(col1, col2, col3):
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if col1 < 1.0:
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return "Class A"
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elif col2 < 1.0:
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return "Class B"
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elif col3 < 1.0:
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return "Class C"
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else:
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return "GTCC"
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if table1_nuclides_present and table2_nuclides_present:
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# Classification based on §61.55(a)(5)
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if ratio1 < 0.1:
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return classify_table2(*ratio2)
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elif ratio1 < 1.0:
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return "Class C" if ratio2[2] < 1.0 else "GTCC"
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else:
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return "GTCC"
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elif table1_nuclides_present:
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# Classification based on §61.55(a)(3)
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if ratio1 < 0.1:
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return "Class A"
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elif ratio1 < 1.0:
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return "Class C"
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else:
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return "GTCC"
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elif table2_nuclides_present:
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# Classification based on §61.55(a)(4)
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return classify_table2(*ratio2)
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else:
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# Classification based on §61.55(a)(6)
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return "Class A"
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def _waste_disposal_rating(
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mat: openmc.Material,
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limits: str | dict[str, float] = 'Fetter',
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metal: bool = False,
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) -> float:
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"""Return the waste disposal rating for a material.
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This method returns a waste disposal rating for the material based on a set
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of specific activity limits. The waste disposal rating is a single number
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that represents the sum of the ratios of the specific activity for each
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radionuclide in the material against a nuclide-specific limit. A value less
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than 1.0 indicates that the material "meets" the limits whereas a value
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greater than 1.0 exceeds the limits.
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Parameters
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----------
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mat : openmc.Material
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The material to classify.
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limits : str or dict, optional
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The name of a predefined set of specific activity limits or a dictionary
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that contains specific activity limits for radionuclides, where keys are
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nuclide names and values are activities in units of [Ci/m3]. The
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predefined options are:
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- 'Fetter': Uses limits from Fetter et al. (1990)
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- 'NRC_long': Uses the 10 CFR 61.55 limits for long-lived radionuclides
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- 'NRC_short_A': Uses the 10 CFR 61.55 class A limits for short-lived
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radionuclides
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- 'NRC_short_B': Uses the 10 CFR 61.55 class B limits for short-lived
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radionuclides
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- 'NRC_short_C': Uses the 10 CFR 61.55 class C limits for short-lived
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radionuclides
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metal : bool, optional
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Whether or not the material is in metal form (only applicable for NRC
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based limits)
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Returns
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-------
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float
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The waste disposal rating for the material.
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"""
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if limits == 'Fetter':
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# Specific activity limits for radionuclides with half-lives between 5
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# years and 1e12 years from Table 2 in Fetter
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limits = {
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"Be10": 5.0e3,
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"C14": 6.0e2,
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"Al26": 9.0e-2,
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"Si32": 6.0e2,
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"Cl36": 1.0e1,
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"Ar39": 2.0e4,
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"Ar42": 2.0e4,
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"K40": 2.0e0,
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"Ca41": 1.0e4,
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"Ti44": 2.0e2,
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"Fe60": 1.0e-1,
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"Co60": 3.0e8,
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"Ni59": 9.0e2,
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"Ni63": 7.0e5,
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"Se79": 5.0e1,
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"Kr81": 3.0e1,
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"Sr90": 8.0e5,
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"Nb91": 2.0e2,
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"Nb92": 2.0e-1,
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"Nb94": 2.0e-1,
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"Mo93": 4.0e3,
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"Tc97": 4.0e-1,
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"Tc98": 1.0e-2,
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"Tc99": 6.0e-2,
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"Pd107": 9.0e2,
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"Ag108_m1": 3.0e0,
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"Sn121_m1": 7.0e5,
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"Sn126": 1.0e-1,
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"I129": 2.0e0,
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"Cs137": 5.0e4,
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"Ba133": 2.0e8,
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"La137": 2.0e2,
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"Sm151": 5.0e7,
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"Eu150_m1": 3.0e3,
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"Eu152": 3.0e5,
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"Eu154": 5.0e6,
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"Gd148": 2.0e5,
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"Gd150": 2.0e3,
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"Tb157": 5.0e3,
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"Tb158": 4.0e0,
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"Dy154": 1.0e3,
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"Ho166_m1": 2.0e-1,
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"Hf178_m1": 9.0e3,
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"Hf182": 2.0e-1,
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"Re186_m1": 2.0e1,
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"Ir192_m1": 1.0e0,
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"Pt193": 2.0e8,
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"Hg194": 5.0e-1,
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"Pb202": 6.0e-1,
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"Pb210": 3.0e7,
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"Bi207": 9.0e3,
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"Bi208": 8.0e-2,
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"Bi210_m1": 1.0e0,
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"Po209": 3.0e3,
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"Ra226": 1.0e-1,
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"Ra228": 3.0e7,
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"Ac227": 5.0e5,
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"Th229": 2.0e0,
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"Th230": 3.0e-1,
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"Th232": 1.0e-1,
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"Pa231": 7.0e-1,
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"U232": 3.0e1,
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"U233": 2.0e1,
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"U234": 9.0e1,
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"U235": 2.0e0,
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"Np236": 1.0e0,
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"Np237": 1.0e0,
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"Pu238": 7.0e4,
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"Pu239": 1.0e3,
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"Pu240": 1.0e3,
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"Pu241": 2.0e3,
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"Pu242": 1.0e3,
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"Pu244": 9.0e-1,
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"Am241": 5.0e1,
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"Am242_m1": 3.0e2,
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"Am243": 2.0e0,
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"Cm243": 6.0e2,
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"Cm244": 5.0e5,
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"Cm245": 5.0e0,
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"Cm246": 8.0e2,
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"Cm248": 8.0e2,
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}
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elif limits == 'NRC_long':
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# Specific activity limits for long-lived radionuclides from Table 1 in
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# 10 CFR 61.55 in Ci/m3.
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limits = {
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'C14': 8.0,
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'Tc99': 3.0,
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'I129': 0.08,
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}
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if metal:
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limits['C14'] = 80.0
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limits['Ni59'] = 220.0
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limits['Nb94'] = 0.2
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# Convert values in nCi/g to Ci/m3
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factor = (1e6 * mat.get_mass_density()) / 1e9
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limits.update({
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'Pu241': 3500.0 * factor,
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'Cm242': 20000.0 * factor,
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'Np237': 100.0 * factor,
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'Pu238': 100.0 * factor,
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'Pu239': 100.0 * factor,
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'Pu240': 100.0 * factor,
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'Pu242': 100.0 * factor,
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'Pu244': 100.0 * factor,
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'Am241': 100.0 * factor,
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'Am243': 100.0 * factor,
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'Cm243': 100.0 * factor,
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'Cm244': 100.0 * factor,
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'Cm245': 100.0 * factor,
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'Cm246': 100.0 * factor,
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'Cm247': 100.0 * factor,
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'Cm248': 100.0 * factor,
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'Bk247': 100.0 * factor,
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'Cf249': 100.0 * factor,
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'Cf250': 100.0 * factor,
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'Cf251': 100.0 * factor,
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})
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elif limits == 'NRC_short_A':
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# Get Class A specific activity limits for short-lived radionuclides
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# from Table 2 in 10 CFR 61.55
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limits = {
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'H3': 40.0,
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'Co60': 700.0,
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'Ni63': 35.0 if metal else 3.5,
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'Sr90': 0.04,
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'Cs137': 1.0
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}
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# Add radionuclides with half-lives < 5 years to limits for class A
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five_years = 60.0 * 60.0 * 24.0 * 365.25 * 5.0
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for nuc in mat.get_nuclides():
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if half_life(nuc) is not None and half_life(nuc) < five_years:
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limits[nuc] = 700.0
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elif limits == 'NRC_short_B':
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# Get Class B specific activity limits for short-lived radionuclides
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# from Table 2 in 10 CFR 61.55
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limits = {'Ni63': 700.0 if metal else 70.0, 'Sr90': 150.0, 'Cs137': 44.0}
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elif limits == 'NRC_short_C':
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# Get Class C specific activity limits for short-lived radionuclides
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# from Table 2 in 10 CFR 61.55
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limits = {'Ni63': 7000.0 if metal else 700.0, 'Sr90': 7000.0, 'Cs137': 4600.0}
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# Calculate the sum of the fractions of the activity of each radionuclide
|
||||
# compared to the specified limits
|
||||
ratio = 0.0
|
||||
for nuc, ci_m3 in mat.get_activity(units="Ci/m3", by_nuclide=True).items():
|
||||
if nuc in limits:
|
||||
ratio += ci_m3 / limits[nuc]
|
||||
return ratio
|
||||
|
|
@ -590,6 +590,12 @@ def test_get_activity():
|
|||
# Test with volume specified as argument
|
||||
assert pytest.approx(m4.get_activity(units='Bq', volume=1.0)) == 355978108155965.94*3/2
|
||||
|
||||
# Test units based on Ci
|
||||
bq = m4.get_activity(units='Bq')
|
||||
m3 = m4.volume * 1e-6
|
||||
assert (ci := m4.get_activity(units='Ci')) == pytest.approx(bq/3.7e10)
|
||||
assert m4.get_activity(units='Ci/m3') == pytest.approx(ci/m3)
|
||||
|
||||
|
||||
def test_get_decay_heat():
|
||||
# Set chain file for testing
|
||||
|
|
|
|||
98
tests/unit_tests/test_waste_classification.py
Normal file
98
tests/unit_tests/test_waste_classification.py
Normal file
|
|
@ -0,0 +1,98 @@
|
|||
import random
|
||||
|
||||
import openmc
|
||||
import pytest
|
||||
|
||||
|
||||
@pytest.mark.parametrize("metal", [False, True])
|
||||
def test_waste_classification_long(metal):
|
||||
"""Test classification when determined by long-lived radionuclides"""
|
||||
f = 10.0 if metal else 1.0
|
||||
limit = 8.0*f
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('C14', 1e-9*f)
|
||||
assert mat.get_activity('Ci/m3') < 0.1 * limit
|
||||
assert mat.waste_classification(metal=metal) == 'Class A'
|
||||
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('C14', 1e-8*f)
|
||||
assert 0.1 * limit < mat.get_activity('Ci/m3') < limit
|
||||
assert mat.waste_classification(metal=metal) == 'Class C'
|
||||
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('C14', 1e-7*f)
|
||||
assert mat.get_activity('Ci/m3') > limit
|
||||
assert mat.waste_classification(metal=metal) == 'GTCC'
|
||||
|
||||
|
||||
@pytest.mark.parametrize("metal", [False, True])
|
||||
def test_waste_classification_short(metal):
|
||||
"""Test classification when determined by short-lived radionuclides"""
|
||||
f = 10.0 if metal else 1.0
|
||||
col1, col2, col3 = 3.5*f, 70.0*f, 700.0*f
|
||||
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('Ni63', 1e-10*f)
|
||||
assert mat.get_activity('Ci/m3') < col1
|
||||
assert mat.waste_classification(metal=metal) == 'Class A'
|
||||
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('Ni63', 1e-10*10*f)
|
||||
assert col1 < mat.get_activity('Ci/m3') < col2
|
||||
assert mat.waste_classification(metal=metal) == 'Class B'
|
||||
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('Ni63', 1e-10*200*f)
|
||||
assert col2 < mat.get_activity('Ci/m3') < col3
|
||||
assert mat.waste_classification(metal=metal) == 'Class C'
|
||||
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('Ni63', 1e-10*2000*f)
|
||||
assert mat.get_activity('Ci/m3') > col3
|
||||
assert mat.waste_classification(metal=metal) == 'GTCC'
|
||||
|
||||
|
||||
def test_waste_classification_mix():
|
||||
"""Test classification when determined by a mix of radionuclides"""
|
||||
# Check example from 10 CFR 61.55 with mix of Sr90 and Cs137
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('Sr90', 2.425e-9)
|
||||
mat.add_nuclide('Cs137', 1.115e-9)
|
||||
|
||||
# In example, activity of Sr90 is 50.0 Ci/m3 and Cs137 is 22.0 Ci/m3
|
||||
activity = mat.get_activity(units='Ci/m3', by_nuclide=True)
|
||||
assert activity['Sr90'] == pytest.approx(50.0, 0.01)
|
||||
assert activity['Cs137'] == pytest.approx(22.0, 0.01)
|
||||
|
||||
# According to example, the waste should be class B
|
||||
assert mat.waste_classification() == 'Class B'
|
||||
|
||||
|
||||
def test_waste_rating_fetter():
|
||||
"""Test waste classification using the Fetter limits"""
|
||||
# For Tc99, Fetter has a more strict limit. Here, we create a material with
|
||||
# Tc99 at 1 Ci/m3 which exceeds Fetter but not NRC
|
||||
density = 3.5561e-7
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('Tc99', density)
|
||||
assert mat.get_activity('Ci/m3') == pytest.approx(1.0, 1e-3)
|
||||
assert mat.waste_disposal_rating(limits='NRC_short_C') < 1.0
|
||||
assert mat.waste_disposal_rating(limits='Fetter') > 1.0
|
||||
|
||||
# With a lower density, it should be Class C under Fetter limits and Class A
|
||||
# under NRC limits
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('Tc99', 5.0e-2*density)
|
||||
assert mat.waste_disposal_rating(limits='NRC_short_A') < 1.0
|
||||
assert mat.waste_disposal_rating(limits='Fetter') < 1.0
|
||||
|
||||
|
||||
def test_waste_disposal_rating():
|
||||
"""Test waste_disposal_rating method"""
|
||||
mat = openmc.Material()
|
||||
mat.add_nuclide('K40', random.random())
|
||||
|
||||
# Check for correct classification based on actual activity
|
||||
ci_m3 = mat.get_activity('Ci/m3')
|
||||
assert mat.waste_disposal_rating(limits={'K40': 2*ci_m3}) < 1.0
|
||||
assert mat.waste_disposal_rating(limits={'K40': 0.5*ci_m3}) > 1.0
|
||||
Loading…
Add table
Add a link
Reference in a new issue