From e030b748360c833f63fe38a760f89b3ce03e396e Mon Sep 17 00:00:00 2001 From: Jonathan Shimwell Date: Wed, 8 Jun 2022 17:28:33 +0100 Subject: [PATCH] add get_activity --- openmc/data/data.py | 3565 +++++++++++++++++++++++++++++++++++++++++++ openmc/material.py | 16 + 2 files changed, 3581 insertions(+) diff --git a/openmc/data/data.py b/openmc/data/data.py index a1d0ee1dc..48a98dedd 100644 --- a/openmc/data/data.py +++ b/openmc/data/data.py @@ -177,6 +177,3571 @@ ATOMIC_SYMBOL = {0: 'n', 1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C', 118: 'Og'} ATOMIC_NUMBER = {value: key for key, value in ATOMIC_SYMBOL.items()} +# Half life values are from ENDF/B VII.1 and have units of seconds +HALF_LIFE = { + "H3": 388789600.0, + "H4": 9.90652e-23, + "H5": 7.99473e-23, + "H6": 2.84812e-22, + "H7": 2.3e-23, + "He5": 7.595e-22, + "He6": 0.8067, + "He7": 3.038e-21, + "He8": 0.1191, + "He9": 7e-21, + "He10": 1.519e-21, + "Li4": 7.55721e-23, + "Li5": 3.06868e-22, + "Li8": 0.838, + "Li9": 0.1783, + "Li10": 2e-21, + "Li11": 0.00859, + "Li12": 1e-08, + "Be5": 1e-09, + "Be6": 4.95326e-21, + "Be8": 8.18132e-17, + "Be10": 47652000000000.0, + "Be11": 13.81, + "Be12": 0.0213, + "Be13": 2.7e-21, + "Be14": 0.00435, + "Be15": 2e-07, + "Be16": 2e-07, + "B6": 1e-09, + "B7": 3.255e-22, + "B8": 0.77, + "B9": 8.43888e-19, + "B12": 0.0202, + "B13": 0.01736, + "B14": 0.0125, + "B15": 0.00993, + "B16": 1.9e-10, + "B17": 0.00508, + "B18": 2.6e-08, + "B19": 0.00292, + "C8": 1.9813e-21, + "C9": 0.1265, + "C10": 19.29, + "C11": 1223.1, + "C14": 179878000000.0, + "C15": 2.449, + "C16": 0.747, + "C17": 0.193, + "C18": 0.092, + "C19": 0.049, + "C20": 0.0145, + "C21": 3e-08, + "C22": 0.0062, + "N10": 2e-22, + "N11": 3.12742e-22, + "N12": 0.011, + "N13": 597.9, + "N16": 7.13, + "N17": 4.171, + "N18": 0.624, + "N19": 0.271, + "N20": 0.13, + "N21": 0.085, + "N22": 0.024, + "N23": 0.0145, + "N24": 5.2e-08, + "N25": 2.6e-07, + "O12": 1.13925e-21, + "O13": 0.00858, + "O14": 70.606, + "O15": 122.24, + "O19": 26.88, + "O20": 13.51, + "O21": 3.42, + "O22": 2.25, + "O23": 0.0905, + "O24": 0.065, + "O25": 5e-08, + "O26": 4e-08, + "O27": 2.6e-07, + "O28": 1e-07, + "F14": 5.0007e-22, + "F15": 4.557e-22, + "F16": 1.13925e-20, + "F17": 64.49, + "F18": 6586.2, + "F20": 11.163, + "F21": 4.158, + "F22": 4.23, + "F23": 2.23, + "F24": 0.39, + "F25": 0.05, + "F26": 0.0096, + "F27": 0.005, + "F28": 4e-08, + "F29": 0.0025, + "F30": 2.6e-07, + "F31": 2.5e-07, + "Ne16": 3.73524e-21, + "Ne17": 0.1092, + "Ne18": 1.672, + "Ne19": 17.22, + "Ne23": 37.24, + "Ne24": 202.8, + "Ne25": 0.602, + "Ne26": 0.197, + "Ne27": 0.032, + "Ne28": 0.0189, + "Ne29": 0.0148, + "Ne30": 0.0073, + "Ne31": 0.0034, + "Ne32": 0.0035, + "Ne33": 1.8e-07, + "Ne34": 6e-08, + "Na18": 1.3e-21, + "Na19": 4e-08, + "Na20": 0.4479, + "Na21": 22.49, + "Na22": 82134970.0, + "Na24": 53989.2, + "Na24_m1": 0.02018, + "Na25": 59.1, + "Na26": 1.077, + "Na27": 0.301, + "Na28": 0.0305, + "Na29": 0.0449, + "Na30": 0.048, + "Na31": 0.017, + "Na32": 0.0132, + "Na33": 0.008, + "Na34": 0.0055, + "Na35": 0.0015, + "Na36": 1.8e-07, + "Na37": 6e-08, + "Mg19": 4e-12, + "Mg20": 0.0908, + "Mg21": 0.122, + "Mg22": 3.8755, + "Mg23": 11.317, + "Mg27": 567.48, + "Mg28": 75294.0, + "Mg29": 1.3, + "Mg30": 0.335, + "Mg31": 0.232, + "Mg32": 0.086, + "Mg33": 0.0905, + "Mg34": 0.02, + "Mg35": 0.07, + "Mg36": 0.0039, + "Mg37": 2.6e-07, + "Mg38": 2.6e-07, + "Mg39": 1.8e-07, + "Mg40": 1.7e-07, + "Al21": 3.5e-08, + "Al22": 0.059, + "Al23": 0.47, + "Al24": 2.053, + "Al24_m1": 0.13, + "Al25": 7.183, + "Al26": 22626800000000.0, + "Al26_m1": 6.3452, + "Al28": 134.484, + "Al29": 393.6, + "Al30": 3.62, + "Al31": 0.644, + "Al32": 0.033, + "Al33": 0.0417, + "Al34": 0.042, + "Al35": 0.0386, + "Al36": 0.09, + "Al37": 0.0107, + "Al38": 0.0076, + "Al39": 7.6e-06, + "Al40": 2.6e-07, + "Al41": 2.6e-07, + "Al42": 1.7e-07, + "Si22": 0.029, + "Si23": 0.0423, + "Si24": 0.14, + "Si25": 0.22, + "Si26": 2.234, + "Si27": 4.16, + "Si31": 9438.0, + "Si32": 4828310000.0, + "Si33": 6.11, + "Si34": 2.77, + "Si35": 0.78, + "Si36": 0.45, + "Si37": 0.09, + "Si38": 1e-06, + "Si39": 0.0475, + "Si40": 0.033, + "Si41": 0.02, + "Si42": 0.0125, + "Si43": 6e-08, + "Si44": 3.6e-07, + "P24": 0.0074, + "P25": 3e-08, + "P26": 0.0437, + "P27": 0.26, + "P28": 0.2703, + "P29": 4.142, + "P30": 149.88, + "P32": 1232323.0, + "P33": 2189376.0, + "P34": 12.43, + "P35": 47.3, + "P36": 5.6, + "P37": 2.31, + "P38": 0.64, + "P39": 0.28, + "P40": 0.125, + "P41": 0.1, + "P42": 0.0485, + "P43": 0.0365, + "P44": 0.0185, + "P45": 2e-07, + "P46": 2e-07, + "S26": 0.01, + "S27": 0.0155, + "S28": 0.125, + "S29": 0.187, + "S30": 1.178, + "S31": 2.572, + "S35": 7560864.0, + "S37": 303.0, + "S38": 10218.0, + "S39": 11.5, + "S40": 8.8, + "S41": 1.99, + "S42": 1.013, + "S43": 0.28, + "S44": 0.1, + "S45": 0.068, + "S46": 0.05, + "S48": 2e-07, + "S49": 2e-07, + "Cl28": 0.0017, + "Cl29": 2e-08, + "Cl30": 3e-08, + "Cl31": 0.15, + "Cl32": 0.298, + "Cl33": 2.511, + "Cl34": 1.5264, + "Cl34_m1": 1920.0, + "Cl36": 9498840000000.0, + "Cl38": 2233.8, + "Cl38_m1": 0.715, + "Cl39": 3336.0, + "Cl40": 81.0, + "Cl41": 38.4, + "Cl42": 6.8, + "Cl43": 3.13, + "Cl44": 0.56, + "Cl45": 0.413, + "Cl46": 0.232, + "Cl47": 0.101, + "Cl48": 2e-07, + "Cl49": 1.7e-07, + "Cl50": 0.02, + "Cl51": 2e-07, + "Ar30": 2e-08, + "Ar31": 0.0151, + "Ar32": 0.098, + "Ar33": 0.173, + "Ar34": 0.8445, + "Ar35": 1.775, + "Ar37": 3027456.0, + "Ar39": 8488990000.0, + "Ar41": 6576.6, + "Ar42": 1038250000.0, + "Ar43": 322.2, + "Ar44": 712.2, + "Ar45": 21.48, + "Ar46": 8.4, + "Ar47": 1.23, + "Ar48": 0.475, + "Ar49": 0.17, + "Ar50": 0.085, + "Ar51": 2e-07, + "Ar52": 0.01, + "Ar53": 0.003, + "K32": 0.0033, + "K33": 2.5e-08, + "K34": 2.5e-08, + "K35": 0.178, + "K36": 0.342, + "K37": 1.226, + "K38": 458.16, + "K38_m1": 0.924, + "K40": 3.93839e16, + "K42": 44496.0, + "K43": 80280.0, + "K44": 1327.8, + "K45": 1068.6, + "K46": 105.0, + "K47": 17.5, + "K48": 6.8, + "K49": 1.26, + "K50": 0.472, + "K51": 0.365, + "K52": 0.105, + "K53": 0.03, + "K54": 0.01, + "K55": 0.003, + "Ca34": 3.5e-08, + "Ca35": 0.0257, + "Ca36": 0.102, + "Ca37": 0.1811, + "Ca38": 0.44, + "Ca39": 0.8596, + "Ca41": 3218880000000.0, + "Ca45": 14049500.0, + "Ca47": 391910.4, + "Ca48": 7.25824e26, + "Ca49": 523.08, + "Ca50": 13.9, + "Ca51": 10.0, + "Ca52": 4.6, + "Ca53": 0.09, + "Ca54": 0.086, + "Ca55": 0.022, + "Ca56": 0.01, + "Ca57": 0.005, + "Sc36": 0.0088, + "Sc37": 0.056, + "Sc38": 0.0423, + "Sc39": 3e-07, + "Sc40": 0.1823, + "Sc41": 0.5963, + "Sc42": 0.6808, + "Sc42_m1": 62.0, + "Sc43": 14007.6, + "Sc44": 14292.0, + "Sc44_m1": 210996.0, + "Sc45_m1": 0.318, + "Sc46": 7239456.0, + "Sc46_m1": 18.75, + "Sc47": 289370.9, + "Sc48": 157212.0, + "Sc49": 3430.8, + "Sc50": 102.5, + "Sc50_m1": 0.35, + "Sc51": 12.4, + "Sc52": 8.2, + "Sc53": 3.0, + "Sc54": 0.36, + "Sc55": 0.105, + "Sc56": 0.06, + "Sc57": 0.013, + "Sc58": 0.012, + "Sc59": 0.01, + "Sc60": 0.003, + "Ti38": 1.2e-07, + "Ti39": 0.032, + "Ti40": 0.0533, + "Ti41": 0.0804, + "Ti42": 0.199, + "Ti43": 0.509, + "Ti44": 1893460000.0, + "Ti45": 11088.0, + "Ti51": 345.6, + "Ti52": 102.0, + "Ti53": 32.7, + "Ti54": 1.5, + "Ti55": 1.3, + "Ti56": 0.2, + "Ti57": 0.06, + "Ti58": 0.059, + "Ti59": 0.03, + "Ti60": 0.022, + "Ti61": 3e-07, + "Ti62": 0.01, + "Ti63": 0.003, + "V40": 0.0077, + "V41": 0.0244, + "V42": 5.5e-08, + "V43": 0.8, + "V44": 0.111, + "V44_m1": 0.15, + "V45": 0.547, + "V46": 0.4225, + "V46_m1": 0.00102, + "V47": 1956.0, + "V48": 1380110.0, + "V49": 28512000.0, + "V50": 4.41806e24, + "V52": 224.58, + "V53": 92.58, + "V54": 49.8, + "V55": 6.54, + "V56": 0.216, + "V57": 0.35, + "V58": 0.185, + "V59": 0.075, + "V60": 0.068, + "V61": 0.047, + "V62": 1.5e-07, + "V63": 0.017, + "V64": 0.019, + "V65": 0.01, + "Cr42": 0.014, + "Cr43": 0.0216, + "Cr44": 0.0535, + "Cr45": 0.0609, + "Cr46": 0.26, + "Cr47": 0.5, + "Cr48": 77616.0, + "Cr49": 2538.0, + "Cr51": 2393366.0, + "Cr55": 209.82, + "Cr56": 356.4, + "Cr57": 21.1, + "Cr58": 7.0, + "Cr59": 0.46, + "Cr60": 0.49, + "Cr61": 0.27, + "Cr62": 0.19, + "Cr63": 0.129, + "Cr64": 0.043, + "Cr65": 0.027, + "Cr66": 0.01, + "Cr67": 0.05, + "Mn44": 1.05e-07, + "Mn45": 7e-08, + "Mn46": 0.0345, + "Mn47": 0.1, + "Mn48": 0.1581, + "Mn49": 0.382, + "Mn50": 0.28319, + "Mn50_m1": 105.0, + "Mn51": 2772.0, + "Mn52": 483062.4, + "Mn52_m1": 1266.0, + "Mn53": 116763000000000.0, + "Mn54": 26961120.0, + "Mn56": 9284.04, + "Mn57": 85.4, + "Mn58": 3.0, + "Mn58_m1": 65.4, + "Mn59": 4.59, + "Mn60": 51.0, + "Mn60_m1": 1.77, + "Mn61": 0.67, + "Mn62": 0.671, + "Mn62_m1": 0.092, + "Mn63": 0.29, + "Mn64": 0.09, + "Mn65": 0.092, + "Mn66": 0.064, + "Mn67": 0.047, + "Mn68": 0.028, + "Mn69": 0.014, + "Fe45": 0.00203, + "Fe46": 0.013, + "Fe47": 0.0219, + "Fe48": 0.044, + "Fe49": 0.0647, + "Fe50": 0.155, + "Fe51": 0.305, + "Fe52": 29790.0, + "Fe52_m1": 45.9, + "Fe53": 510.6, + "Fe53_m1": 152.4, + "Fe55": 86594050.0, + "Fe59": 3844368.0, + "Fe60": 47336400000000.0, + "Fe61": 358.8, + "Fe62": 68.0, + "Fe63": 6.1, + "Fe64": 2.0, + "Fe65": 0.81, + "Fe65_m1": 1.12, + "Fe66": 0.44, + "Fe67": 0.416, + "Fe68": 0.187, + "Fe69": 0.109, + "Fe70": 0.094, + "Fe71": 0.028, + "Fe72": 1.5e-07, + "Co49": 3.5e-08, + "Co50": 0.044, + "Co51": 2e-07, + "Co52": 0.115, + "Co53": 0.24, + "Co53_m1": 0.247, + "Co54": 0.19328, + "Co54_m1": 88.8, + "Co55": 63108.0, + "Co56": 6672931.0, + "Co57": 23478340.0, + "Co58": 6122304.0, + "Co58_m1": 32760.0, + "Co60": 166344200.0, + "Co60_m1": 628.02, + "Co61": 5940.0, + "Co62": 90.0, + "Co62_m1": 834.6, + "Co63": 27.4, + "Co64": 0.3, + "Co65": 1.16, + "Co66": 0.2, + "Co67": 0.425, + "Co68": 0.199, + "Co68_m1": 1.6, + "Co69": 0.22, + "Co70": 0.119, + "Co70_m1": 0.5, + "Co71": 0.079, + "Co72": 0.0599, + "Co73": 0.041, + "Co74": 0.03, + "Co75": 0.034, + "Ni48": 0.0021, + "Ni49": 0.0075, + "Ni50": 0.012, + "Ni51": 2e-07, + "Ni52": 0.038, + "Ni53": 0.045, + "Ni54": 0.104, + "Ni55": 0.2047, + "Ni56": 524880.0, + "Ni57": 128160.0, + "Ni59": 2398380000000.0, + "Ni63": 3193630000.0, + "Ni65": 9061.884, + "Ni66": 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"Bh266": 5.4, + "Bh267": 21.0, + "Bh269": 50.0, + "Hs263": 0.00355, + "Hs264": 0.0008, + "Hs265": 0.00205, + "Hs265_m1": 0.0003, + "Hs266": 0.00265, + "Hs267": 0.0545, + "Hs268": 1.2, + "Hs269": 12.9, + "Hs273": 50.0, + "Mt265": 120.0, + "Mt266": 0.0018, + "Mt266_m1": 0.0017, + "Mt267": 0.01, + "Mt268": 0.0225, + "Mt269": 0.05, + "Mt270": 0.00605, + "Mt271": 5.0, + "Mt273": 20.0, + "Ds267": 2.8e-06, + "Ds268": 0.0001, + "Ds269": 0.000268, + "Ds270": 0.00015, + "Ds270_m1": 0.009, + "Ds271": 0.001705, + "Ds271_m1": 0.0865, + "Ds272": 1.0, + "Ds273": 0.000225, + "Ds279_m1": 0.19, + "Rg272": 0.0041, +} + + # Values here are from the Committee on Data for Science and Technology # (CODATA) 2018 recommendation (https://physics.nist.gov/cuu/Constants/). diff --git a/openmc/material.py b/openmc/material.py index e5c3f8e4b..5952162f6 100644 --- a/openmc/material.py +++ b/openmc/material.py @@ -3,6 +3,7 @@ from collections.abc import Iterable from copy import deepcopy from numbers import Real from pathlib import Path +import math import re import warnings from xml.etree import ElementTree as ET @@ -705,6 +706,21 @@ class Material(IDManagerMixin): def make_isotropic_in_lab(self): self.isotropic = [x.name for x in self._nuclides] + + def get_activity(self): + """Returns the total activity of the material in Becquerels.""" + + atoms_per_barn_cm2 = self.get_nuclide_atom_densities() + total_activity = 0 + for key, value in atoms_per_barn_cm2.items(): + if key in openmc.data.HALF_LIFE.keys(): + atoms = value[1] * self.volume * 1e24 + activity = 0.693 * atoms / openmc.data.HALF_LIFE[key] + print('activity', activity) + total_activity += activity + + return total_activity + def get_elements(self): """Returns all elements in the material