14840340664

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Pull #3392

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Merge 5bc1ec35f into 1e7d8324e

Pull Request Pull Request #3392: Map Compton subshell data to atomic relaxation data

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87.72

/openmc/waste.py

from __future__ import annotations

import openmc
from openmc.data import half_life


def _waste_classification(mat: openmc.Material, metal: bool = True) -> str:
    """Classify a material for near-surface waste disposal.

    This method determines a waste classification for a material based on the
    NRC regulations (10 CFR 61.55).

    Parameters
    ----------
    mat : openmc.Material
        The material to classify.
    metal : bool, optional
        Whether or not the material is in metal form. This changes the
        acceptable limits in Tables 1 and 2 for certain nuclides.

    Returns
    -------
    str
        The waste disposal classification, which can be "Class A", "Class B",
        "Class C", or "GTCC" (greater than class C).

    """
    # Determine metrics based on Tables 1 and 2 using sum of fractions rule for
    # mixture of radionuclides from §61.55(a)(7)
    ratio1 = _waste_disposal_rating(mat, 'NRC_long', metal=metal)
    ratio2 = [
        _waste_disposal_rating(mat, 'NRC_short_A', metal=metal),
        _waste_disposal_rating(mat, 'NRC_short_B', metal=metal),
        _waste_disposal_rating(mat, 'NRC_short_C', metal=metal),
    ]

    # Determine which nuclides are present in Table 1 and Table 2
    table1_nuclides_present = (ratio1 > 0.0)
    table2_nuclides_present = any(x > 0.0 for x in ratio2)

    # Helper function for classifying based on Table 2
    def classify_table2(col1, col2, col3):
        if col1 < 1.0:
            return "Class A"
        elif col2 < 1.0:
            return "Class B"
        elif col3 < 1.0:
            return "Class C"
        else:
            return "GTCC"

    if table1_nuclides_present and table2_nuclides_present:
        # Classification based on §61.55(a)(5)
        if ratio1 < 0.1:
            return classify_table2(*ratio2)
        elif ratio1 < 1.0:
            return "Class C" if ratio2[2] < 1.0 else "GTCC"
        else:
            return "GTCC"

    elif table1_nuclides_present:
        # Classification based on §61.55(a)(3)
        if ratio1 < 0.1:
            return "Class A"
        elif ratio1 < 1.0:
            return "Class C"
        else:
            return "GTCC"

    elif table2_nuclides_present:
        # Classification based on §61.55(a)(4)
        return classify_table2(*ratio2)

    else:
        # Classification based on §61.55(a)(6)
        return "Class A"


def _waste_disposal_rating(
    mat: openmc.Material,
    limits: str | dict[str, float] = 'Fetter',
    metal: bool = False,
    by_nuclide: bool = False,
) -> float | dict[str, float]:
    """Return the waste disposal rating for a material.

    This method returns a waste disposal rating for the material based on a set
    of specific activity limits. The waste disposal rating is a single number
    that represents the sum of the ratios of the specific activity for each
    radionuclide in the material against a nuclide-specific limit. A value less
    than 1.0 indicates that the material "meets" the limits whereas a value
    greater than 1.0 exceeds the limits.

    Parameters
    ----------
    mat : openmc.Material
        The material to classify.
    limits : str or dict, optional
        The name of a predefined set of specific activity limits or a dictionary
        that contains specific activity limits for radionuclides, where keys are
        nuclide names and values are activities in units of [Ci/m3]. The
        predefined options are:

        - 'Fetter': Uses limits from Fetter et al. (1990)
        - 'NRC_long': Uses the 10 CFR 61.55 limits for long-lived radionuclides
        - 'NRC_short_A': Uses the 10 CFR 61.55 class A limits for short-lived
          radionuclides
        - 'NRC_short_B': Uses the 10 CFR 61.55 class B limits for short-lived
          radionuclides
        - 'NRC_short_C': Uses the 10 CFR 61.55 class C limits for short-lived
          radionuclides
    metal : bool, optional
        Whether or not the material is in metal form (only applicable for NRC
        based limits)
    by_nuclide : bool, optional
        Whether to return the waste disposal rating for each nuclide in the
        material. If True, a dictionary is returned where the keys are the
        nuclide names and the values are the waste disposal ratings for each
        nuclide. If False, a single float value is returned that represents the
        overall waste disposal rating for the material.

    Returns
    -------
    float or dict
        The waste disposal rating for the material or its constituent nuclides.

    """
    if limits == 'Fetter':
        # Specific activity limits for radionuclides with half-lives between 5
        # years and 1e12 years from Table 2 in Fetter
        limits = {
            "Be10": 5.0e3,
            "C14": 6.0e2,
            "Al26": 9.0e-2,
            "Si32": 6.0e2,
            "Cl36": 1.0e1,
            "Ar39": 2.0e4,
            "Ar42": 2.0e4,
            "K40": 2.0e0,
            "Ca41": 1.0e4,
            "Ti44": 2.0e2,
            "Fe60": 1.0e-1,
            "Co60": 3.0e8,
            "Ni59": 9.0e2,
            "Ni63": 7.0e5,
            "Se79": 5.0e1,
            "Kr81": 3.0e1,
            "Sr90": 8.0e5,
            "Nb91": 2.0e2,
            "Nb92": 2.0e-1,
            "Nb94": 2.0e-1,
            "Mo93": 4.0e3,
            "Tc97": 4.0e-1,
            "Tc98": 1.0e-2,
            "Tc99": 6.0e-2,
            "Pd107": 9.0e2,
            "Ag108_m1": 3.0e0,
            "Sn121_m1": 7.0e5,
            "Sn126": 1.0e-1,
            "I129": 2.0e0,
            "Cs137": 5.0e4,
            "Ba133": 2.0e8,
            "La137": 2.0e2,
            "Sm151": 5.0e7,
            "Eu150_m1": 3.0e3,
            "Eu152": 3.0e5,
            "Eu154": 5.0e6,
            "Gd148": 2.0e5,
            "Gd150": 2.0e3,
            "Tb157": 5.0e3,
            "Tb158": 4.0e0,
            "Dy154": 1.0e3,
            "Ho166_m1": 2.0e-1,
            "Hf178_m1": 9.0e3,
            "Hf182": 2.0e-1,
            "Re186_m1": 2.0e1,
            "Ir192_m1": 1.0e0,
            "Pt193": 2.0e8,
            "Hg194": 5.0e-1,
            "Pb202": 6.0e-1,
            "Pb210": 3.0e7,
            "Bi207": 9.0e3,
            "Bi208": 8.0e-2,
            "Bi210_m1": 1.0e0,
            "Po209": 3.0e3,
            "Ra226": 1.0e-1,
            "Ra228": 3.0e7,
            "Ac227": 5.0e5,
            "Th229": 2.0e0,
            "Th230": 3.0e-1,
            "Th232": 1.0e-1,
            "Pa231": 7.0e-1,
            "U232": 3.0e1,
            "U233": 2.0e1,
            "U234": 9.0e1,
            "U235": 2.0e0,
            "Np236": 1.0e0,
            "Np237": 1.0e0,
            "Pu238": 7.0e4,
            "Pu239": 1.0e3,
            "Pu240": 1.0e3,
            "Pu241": 2.0e3,
            "Pu242": 1.0e3,
            "Pu244": 9.0e-1,
            "Am241": 5.0e1,
            "Am242_m1": 3.0e2,
            "Am243": 2.0e0,
            "Cm243": 6.0e2,
            "Cm244": 5.0e5,
            "Cm245": 5.0e0,
            "Cm246": 8.0e2,
            "Cm248": 8.0e2,
        }

    elif limits == 'NRC_long':
        # Specific activity limits for long-lived radionuclides from Table 1 in
        # 10 CFR 61.55 in Ci/m3.
        limits = {
            'C14': 8.0,
            'Tc99': 3.0,
            'I129': 0.08,
        }
        if metal:
            limits['C14'] = 80.0
            limits['Ni59'] = 220.0
            limits['Nb94'] = 0.2

        # Convert values in nCi/g to Ci/m3
        factor = (1e6 * mat.get_mass_density()) / 1e9
        limits.update({
            'Pu241': 3500.0 * factor,
            'Cm242': 20000.0 * factor,
            'Np237': 100.0 * factor,
            'Pu238': 100.0 * factor,
            'Pu239': 100.0 * factor,
            'Pu240': 100.0 * factor,
            'Pu242': 100.0 * factor,
            'Pu244': 100.0 * factor,
            'Am241': 100.0 * factor,
            'Am243': 100.0 * factor,
            'Cm243': 100.0 * factor,
            'Cm244': 100.0 * factor,
            'Cm245': 100.0 * factor,
            'Cm246': 100.0 * factor,
            'Cm247': 100.0 * factor,
            'Cm248': 100.0 * factor,
            'Bk247': 100.0 * factor,
            'Cf249': 100.0 * factor,
            'Cf250': 100.0 * factor,
            'Cf251': 100.0 * factor,
        })

    elif limits == 'NRC_short_A':
        # Get Class A specific activity limits for short-lived radionuclides
        # from Table 2 in 10 CFR 61.55
        limits = {
            'H3': 40.0,
            'Co60': 700.0,
            'Ni63': 35.0 if metal else 3.5,
            'Sr90': 0.04,
            'Cs137': 1.0
        }

        # Add radionuclides with half-lives < 5 years to limits for class A
        five_years = 60.0 * 60.0 * 24.0 * 365.25 * 5.0
        for nuc in mat.get_nuclides():
            if half_life(nuc) is not None and half_life(nuc) < five_years:
                limits[nuc] = 700.0

    elif limits == 'NRC_short_B':
        # Get Class B specific activity limits for short-lived radionuclides
        # from Table 2 in 10 CFR 61.55
        limits = {'Ni63': 700.0 if metal else 70.0, 'Sr90': 150.0, 'Cs137': 44.0}

    elif limits == 'NRC_short_C':
        # Get Class C specific activity limits for short-lived radionuclides
        # from Table 2 in 10 CFR 61.55
        limits = {'Ni63': 7000.0 if metal else 700.0, 'Sr90': 7000.0, 'Cs137': 4600.0}

    # Calculate the sum of the fractions of the activity of each radionuclide
    # compared to the specified limits
    ratio = {}
    for nuc, ci_m3 in mat.get_activity(units="Ci/m3", by_nuclide=True).items():
        if nuc in limits:
            ratio[nuc] = ci_m3 / limits[nuc]
    return ratio if by_nuclide else sum(ratio.values())

1	from __future__ import annotations	11✔
2
3	import openmc	11✔
4	from openmc.data import half_life	11✔
5
6
7	def _waste_classification(mat: openmc.Material, metal: bool = True) -> str:	11✔
8	"""Classify a material for near-surface waste disposal.
9
10	This method determines a waste classification for a material based on the
11	NRC regulations (10 CFR 61.55).
12
13	Parameters
14	----------
15	mat : openmc.Material
16	The material to classify.
17	metal : bool, optional
18	Whether or not the material is in metal form. This changes the
19	acceptable limits in Tables 1 and 2 for certain nuclides.
20
21	Returns
22	-------
23	str
24	The waste disposal classification, which can be "Class A", "Class B",
25	"Class C", or "GTCC" (greater than class C).
26
27	"""
28	# Determine metrics based on Tables 1 and 2 using sum of fractions rule for
29	# mixture of radionuclides from §61.55(a)(7)
30	ratio1 = _waste_disposal_rating(mat, 'NRC_long', metal=metal)	11✔
31	ratio2 = [	11✔
32	_waste_disposal_rating(mat, 'NRC_short_A', metal=metal),
33	_waste_disposal_rating(mat, 'NRC_short_B', metal=metal),
34	_waste_disposal_rating(mat, 'NRC_short_C', metal=metal),
35	]
36
37	# Determine which nuclides are present in Table 1 and Table 2
38	table1_nuclides_present = (ratio1 > 0.0)	11✔
39	table2_nuclides_present = any(x > 0.0 for x in ratio2)	11✔
40
41	# Helper function for classifying based on Table 2
42	def classify_table2(col1, col2, col3):	11✔
43	if col1 < 1.0:	11✔
44	return "Class A"	11✔
45	elif col2 < 1.0:	11✔
46	return "Class B"	11✔
47	elif col3 < 1.0:	11✔
48	return "Class C"	11✔
49	else:
50	return "GTCC"	11✔
51
52	if table1_nuclides_present and table2_nuclides_present:	11✔
53	# Classification based on §61.55(a)(5)
54	if ratio1 < 0.1:	×
55	return classify_table2(*ratio2)	×
56	elif ratio1 < 1.0:	×
57	return "Class C" if ratio2[2] < 1.0 else "GTCC"	×
58	else:
59	return "GTCC"	×
60
61	elif table1_nuclides_present:	11✔
62	# Classification based on §61.55(a)(3)
63	if ratio1 < 0.1:	11✔
64	return "Class A"	11✔
65	elif ratio1 < 1.0:	11✔
66	return "Class C"	11✔
67	else:
68	return "GTCC"	11✔
69
70	elif table2_nuclides_present:	11✔
71	# Classification based on §61.55(a)(4)
72	return classify_table2(*ratio2)	11✔
73
74	else:
75	# Classification based on §61.55(a)(6)
76	return "Class A"	×
77
78
79	def _waste_disposal_rating(	11✔
80	mat: openmc.Material,
81	limits: str \| dict[str, float] = 'Fetter',
82	metal: bool = False,
83	by_nuclide: bool = False,
84	) -> float \| dict[str, float]:
85	"""Return the waste disposal rating for a material.
86
87	This method returns a waste disposal rating for the material based on a set
88	of specific activity limits. The waste disposal rating is a single number
89	that represents the sum of the ratios of the specific activity for each
90	radionuclide in the material against a nuclide-specific limit. A value less
91	than 1.0 indicates that the material "meets" the limits whereas a value
92	greater than 1.0 exceeds the limits.
93
94	Parameters
95	----------
96	mat : openmc.Material
97	The material to classify.
98	limits : str or dict, optional
99	The name of a predefined set of specific activity limits or a dictionary
100	that contains specific activity limits for radionuclides, where keys are
101	nuclide names and values are activities in units of [Ci/m3]. The
102	predefined options are:
103
104	- 'Fetter': Uses limits from Fetter et al. (1990)
105	- 'NRC_long': Uses the 10 CFR 61.55 limits for long-lived radionuclides
106	- 'NRC_short_A': Uses the 10 CFR 61.55 class A limits for short-lived
107	radionuclides
108	- 'NRC_short_B': Uses the 10 CFR 61.55 class B limits for short-lived
109	radionuclides
110	- 'NRC_short_C': Uses the 10 CFR 61.55 class C limits for short-lived
111	radionuclides
112	metal : bool, optional
113	Whether or not the material is in metal form (only applicable for NRC
114	based limits)
115	by_nuclide : bool, optional
116	Whether to return the waste disposal rating for each nuclide in the
117	material. If True, a dictionary is returned where the keys are the
118	nuclide names and the values are the waste disposal ratings for each
119	nuclide. If False, a single float value is returned that represents the
120	overall waste disposal rating for the material.
121
122	Returns
123	-------
124	float or dict
125	The waste disposal rating for the material or its constituent nuclides.
126
127	"""
128	if limits == 'Fetter':	11✔
129	# Specific activity limits for radionuclides with half-lives between 5
130	# years and 1e12 years from Table 2 in Fetter
131	limits = {	11✔
132	"Be10": 5.0e3,
133	"C14": 6.0e2,
134	"Al26": 9.0e-2,
135	"Si32": 6.0e2,
136	"Cl36": 1.0e1,
137	"Ar39": 2.0e4,
138	"Ar42": 2.0e4,
139	"K40": 2.0e0,
140	"Ca41": 1.0e4,
141	"Ti44": 2.0e2,
142	"Fe60": 1.0e-1,
143	"Co60": 3.0e8,
144	"Ni59": 9.0e2,
145	"Ni63": 7.0e5,
146	"Se79": 5.0e1,
147	"Kr81": 3.0e1,
148	"Sr90": 8.0e5,
149	"Nb91": 2.0e2,
150	"Nb92": 2.0e-1,
151	"Nb94": 2.0e-1,
152	"Mo93": 4.0e3,
153	"Tc97": 4.0e-1,
154	"Tc98": 1.0e-2,
155	"Tc99": 6.0e-2,
156	"Pd107": 9.0e2,
157	"Ag108_m1": 3.0e0,
158	"Sn121_m1": 7.0e5,
159	"Sn126": 1.0e-1,
160	"I129": 2.0e0,
161	"Cs137": 5.0e4,
162	"Ba133": 2.0e8,
163	"La137": 2.0e2,
164	"Sm151": 5.0e7,
165	"Eu150_m1": 3.0e3,
166	"Eu152": 3.0e5,
167	"Eu154": 5.0e6,
168	"Gd148": 2.0e5,
169	"Gd150": 2.0e3,
170	"Tb157": 5.0e3,
171	"Tb158": 4.0e0,
172	"Dy154": 1.0e3,
173	"Ho166_m1": 2.0e-1,
174	"Hf178_m1": 9.0e3,
175	"Hf182": 2.0e-1,
176	"Re186_m1": 2.0e1,
177	"Ir192_m1": 1.0e0,
178	"Pt193": 2.0e8,
179	"Hg194": 5.0e-1,
180	"Pb202": 6.0e-1,
181	"Pb210": 3.0e7,
182	"Bi207": 9.0e3,
183	"Bi208": 8.0e-2,
184	"Bi210_m1": 1.0e0,
185	"Po209": 3.0e3,
186	"Ra226": 1.0e-1,
187	"Ra228": 3.0e7,
188	"Ac227": 5.0e5,
189	"Th229": 2.0e0,
190	"Th230": 3.0e-1,
191	"Th232": 1.0e-1,
192	"Pa231": 7.0e-1,
193	"U232": 3.0e1,
194	"U233": 2.0e1,
195	"U234": 9.0e1,
196	"U235": 2.0e0,
197	"Np236": 1.0e0,
198	"Np237": 1.0e0,
199	"Pu238": 7.0e4,
200	"Pu239": 1.0e3,
201	"Pu240": 1.0e3,
202	"Pu241": 2.0e3,
203	"Pu242": 1.0e3,
204	"Pu244": 9.0e-1,
205	"Am241": 5.0e1,
206	"Am242_m1": 3.0e2,
207	"Am243": 2.0e0,
208	"Cm243": 6.0e2,
209	"Cm244": 5.0e5,
210	"Cm245": 5.0e0,
211	"Cm246": 8.0e2,
212	"Cm248": 8.0e2,
213	}
214
215	elif limits == 'NRC_long':	11✔
216	# Specific activity limits for long-lived radionuclides from Table 1 in
217	# 10 CFR 61.55 in Ci/m3.
218	limits = {	11✔
219	'C14': 8.0,
220	'Tc99': 3.0,
221	'I129': 0.08,
222	}
223	if metal:	11✔
224	limits['C14'] = 80.0	11✔
225	limits['Ni59'] = 220.0	11✔
226	limits['Nb94'] = 0.2	11✔
227
228	# Convert values in nCi/g to Ci/m3
229	factor = (1e6 * mat.get_mass_density()) / 1e9	11✔
230	limits.update({	11✔
231	'Pu241': 3500.0 * factor,
232	'Cm242': 20000.0 * factor,
233	'Np237': 100.0 * factor,
234	'Pu238': 100.0 * factor,
235	'Pu239': 100.0 * factor,
236	'Pu240': 100.0 * factor,
237	'Pu242': 100.0 * factor,
238	'Pu244': 100.0 * factor,
239	'Am241': 100.0 * factor,
240	'Am243': 100.0 * factor,
241	'Cm243': 100.0 * factor,
242	'Cm244': 100.0 * factor,
243	'Cm245': 100.0 * factor,
244	'Cm246': 100.0 * factor,
245	'Cm247': 100.0 * factor,
246	'Cm248': 100.0 * factor,
247	'Bk247': 100.0 * factor,
248	'Cf249': 100.0 * factor,
249	'Cf250': 100.0 * factor,
250	'Cf251': 100.0 * factor,
251	})
252
253	elif limits == 'NRC_short_A':	11✔
254	# Get Class A specific activity limits for short-lived radionuclides
255	# from Table 2 in 10 CFR 61.55
256	limits = {	11✔
257	'H3': 40.0,
258	'Co60': 700.0,
259	'Ni63': 35.0 if metal else 3.5,
260	'Sr90': 0.04,
261	'Cs137': 1.0
262	}
263
264	# Add radionuclides with half-lives < 5 years to limits for class A
265	five_years = 60.0 * 60.0 * 24.0 * 365.25 * 5.0	11✔
266	for nuc in mat.get_nuclides():	11✔
267	if half_life(nuc) is not None and half_life(nuc) < five_years:	11✔
UNCOV 268	limits[nuc] = 700.0	×
269
270	elif limits == 'NRC_short_B':	11✔
271	# Get Class B specific activity limits for short-lived radionuclides
272	# from Table 2 in 10 CFR 61.55
273	limits = {'Ni63': 700.0 if metal else 70.0, 'Sr90': 150.0, 'Cs137': 44.0}	11✔
274
275	elif limits == 'NRC_short_C':	11✔
276	# Get Class C specific activity limits for short-lived radionuclides
277	# from Table 2 in 10 CFR 61.55
278	limits = {'Ni63': 7000.0 if metal else 700.0, 'Sr90': 7000.0, 'Cs137': 4600.0}	11✔
279
280	# Calculate the sum of the fractions of the activity of each radionuclide
281	# compared to the specified limits
282	ratio = {}	11✔
283	for nuc, ci_m3 in mat.get_activity(units="Ci/m3", by_nuclide=True).items():	11✔
284	if nuc in limits:	11✔
285	ratio[nuc] = ci_m3 / limits[nuc]	11✔
286	return ratio if by_nuclide else sum(ratio.values())	11✔

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