diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst index 95fdfeca9..6f5c006c2 100644 --- a/docs/source/pythonapi/data.rst +++ b/docs/source/pythonapi/data.rst @@ -63,6 +63,7 @@ Core Functions atomic_weight dose_coefficients gnd_name + half_life isotopes linearize thin diff --git a/openmc/data/data.py b/openmc/data/data.py index a1d0ee1dc..3a3cf5826 100644 --- a/openmc/data/data.py +++ b/openmc/data/data.py @@ -1,10 +1,11 @@ import itertools -from math import sqrt +import json import os import re +from pathlib import Path +from math import sqrt from warnings import warn - # Isotopic abundances from Meija J, Coplen T B, et al, "Isotopic compositions # of the elements 2013 (IUPAC Technical Report)", Pure. Appl. Chem. 88 (3), # pp. 293-306 (2013). The "representative isotopic abundance" values from @@ -199,6 +200,9 @@ _ATOMIC_MASS = {} # Regex for GND nuclide names (used in zam function) _GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)') +# Used in half_life function as a cache +_HALF_LIFE = {} + def atomic_mass(isotope): """Return atomic mass of isotope in atomic mass units. @@ -273,6 +277,31 @@ def atomic_weight(element): .format(element)) +def half_life(isotope): + """Return half-life of isotope in seconds or None if isotope is stable + + Half-life values are from the `ENDF/B-VIII.0 decay sublibrary + `_. + + Parameters + ---------- + isotope : str + Name of isotope, e.g., 'Pu239' + + Returns + ------- + float + Half-life of isotope in [s] + + """ + global _HALF_LIFE + if not _HALF_LIFE: + # Load ENDF/B-VIII.0 data from JSON file + half_life_path = Path(__file__).with_name('half_life.json') + _HALF_LIFE = json.loads(half_life_path.read_text()) + + return _HALF_LIFE.get(isotope.lower()) + def water_density(temperature, pressure=0.1013): """Return the density of liquid water at a given temperature and pressure. diff --git a/openmc/data/half_life.json b/openmc/data/half_life.json new file mode 100644 index 000000000..4f670918b --- /dev/null +++ b/openmc/data/half_life.json @@ -0,0 +1,3563 @@ +{ + "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, + "be7": 4598208.0, + "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": 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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 +} diff --git a/openmc/material.py b/openmc/material.py index de1b2187b..47f39b990 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 @@ -141,6 +142,21 @@ class Material(IDManagerMixin): return string + + @property + def activity(self): + """Returns the total activity of the material in Becquerels.""" + + atoms_per_barn_cm = self.get_nuclide_atom_densities() + total_activity = 0 + for key, value in atoms_per_barn_cm.items(): + half_life = openmc.data.half_life(key) + if half_life: + total_activity += value[1] / half_life + total_activity *= math.log(2) * 1e24 * self.volume + + return total_activity + @property def name(self): return self._name diff --git a/setup.py b/setup.py index b2e3f160a..477f29dec 100755 --- a/setup.py +++ b/setup.py @@ -32,7 +32,7 @@ kwargs = { # Data files and libraries 'package_data': { 'openmc.lib': ['libopenmc.{}'.format(suffix)], - 'openmc.data': ['mass16.txt', 'BREMX.DAT', '*.h5'], + 'openmc.data': ['mass16.txt', 'BREMX.DAT', 'half_life.json', '*.h5'], 'openmc.data.effective_dose': ['*.txt'] }, diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py index 02e53a28d..c56c350b0 100644 --- a/tests/unit_tests/test_material.py +++ b/tests/unit_tests/test_material.py @@ -404,3 +404,30 @@ def test_mix_materials(): assert m3.density == pytest.approx(dens3) assert m4.density == pytest.approx(dens4) assert m5.density == pytest.approx(dens5) + + +def test_activity_of_stable(): + """Creates a material with stable isotopes to checks the activity is 0""" + m1 = openmc.Material() + m1.add_element("Fe", 1) + m1.set_density('g/cm3', 1) + m1.volume = 1 + assert m1.activity == 0 + + +def test_activity_of_tritium(): + """Checks that 1g of tritium has the correct activity""" + m1 = openmc.Material() + m1.add_nuclide("H3", 1) + m1.set_density('g/cm3', 1) + m1.volume = 1 + assert pytest.approx(m1.activity) == 3.559778e14 + + +def test_activity_of_metastable(): + """Checks that 1 mol of a Tc99_m1 nuclides has the correct activity""" + m1 = openmc.Material() + m1.add_nuclide("Tc99_m1", 1) + m1.set_density('g/cm3', 1) + m1.volume = 98.9 + assert pytest.approx(m1.activity, rel=0.001) == 1.93e19