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Combined secondary particle data into _REACTIONS in chain.py
This commit is contained in:
Paul Romano
parent
2d6ea64dc3
commit
c3368d2c11
5 changed files with 100 additions and 157 deletions
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@ -146,7 +146,7 @@ The following tables show all valid scores:
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+----------------------+---------------------------------------------------+
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|(n,nt) |(n,nt) reaction rate. |
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+----------------------+---------------------------------------------------+
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|(n,nHe-3) |(n,n\ :sup:`3`\ He) reaction rate. |
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|(n,n3He) |(n,n\ :sup:`3`\ He) reaction rate. |
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+----------------------+---------------------------------------------------+
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|(n,nd2a) |(n,nd2\ :math:`\alpha`\ ) reaction rate. |
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+----------------------+---------------------------------------------------+
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@ -30,7 +30,7 @@ REACTION_NAME = {1: '(n,total)', 2: '(n,elastic)', 4: '(n,level)',
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18: '(n,fission)', 19: '(n,f)', 20: '(n,nf)', 21: '(n,2nf)',
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22: '(n,na)', 23: '(n,n3a)', 24: '(n,2na)', 25: '(n,3na)',
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27: '(n,absorption)', 28: '(n,np)', 29: '(n,n2a)',
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30: '(n,2n2a)', 32: '(n,nd)', 33: '(n,nt)', 34: '(n,nHe-3)',
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30: '(n,2n2a)', 32: '(n,nd)', 33: '(n,nt)', 34: '(n,n3He)',
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35: '(n,nd2a)', 36: '(n,nt2a)', 37: '(n,4n)', 38: '(n,3nf)',
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41: '(n,2np)', 42: '(n,3np)', 44: '(n,n2p)', 45: '(n,npa)',
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91: '(n,nc)', 101: '(n,disappear)', 102: '(n,gamma)',
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@ -8,7 +8,7 @@ from io import StringIO
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from itertools import chain
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import math
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import re
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from collections import OrderedDict, defaultdict
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from collections import OrderedDict, defaultdict, namedtuple
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from collections.abc import Mapping, Iterable
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from numbers import Real, Integral
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from warnings import warn
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@ -33,76 +33,95 @@ from openmc._xml import clean_indentation
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from .nuclide import Nuclide, DecayTuple, ReactionTuple
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# tuple of (possible MT values, (dA, dZ)) where dA is the change in the mass
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# number and dZ is the change in the atomic number
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# tuple of (possible MT values, (dA, dZ), secondaries) where dA is the change in
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# the mass number and dZ is the change in the atomic number
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ReactionInfo = namedtuple('ReactionInfo', ('mts', 'dadz', 'secondaries'))
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_REACTIONS = {
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'(n,2n)': (set(chain([16], range(875, 892))), (-1, 0)),
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'(n,3n)': ({17}, (-2, 0)),
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'(n,4n)': ({37}, (-3, 0)),
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'(n,gamma)': ({102}, (1, 0)),
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'(n,p)': (set(chain([103], range(600, 650))), (0, -1)),
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'(n,d)': (set(chain([104], range(650, 700))), (-1, -1)),
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'(n,t)': (set(chain([105], range(700, 750))), (-2, -1)),
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'(n,3He)': (set(chain([106], range(750, 800))), (-2, -2)),
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'(n,a)': (set(chain([107], range(800, 850))), (-3, -2)),
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'(n,2a)': ({108}, (-7, -4)),
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'(n,3a)': ({109}, (-11, -6)),
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'(n,2p)': ({111}, (-1, -2)),
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'(n,pa)': ({112}, (-4, -3)),
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'(n,t2a)': ({113}, (-10, -5)),
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'(n,d2a)': ({114}, (-9, -5)),
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'(n,pd)': ({115}, (-2, -2)),
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'(n,pt)': ({116}, (-3, -2)),
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'(n,da)': ({117}, (-5, -3)),
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'(n,5n)': ({152}, (-4, 0)),
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'(n,6n)': ({153}, (-5, 0)),
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'(n,2nt)': ({154}, (-4, -1)),
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'(n,ta)': ({155}, (-6, -3)),
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'(n,4np)': ({156}, (-4, -1)),
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'(n,3nd)': ({157}, (-4, -1)),
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'(n,nda)': ({158}, (-6, -3)),
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'(n,2npa)': ({159}, (-6, -3)),
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'(n,7n)': ({160}, (-6, 0)),
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'(n,8n)': ({161}, (-7, 0)),
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'(n,5np)': ({162}, (-5, -1)),
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'(n,6np)': ({163}, (-6, -1)),
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'(n,7np)': ({164}, (-7, -1)),
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'(n,4na)': ({165}, (-7, -2)),
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'(n,5na)': ({166}, (-8, -2)),
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'(n,6na)': ({167}, (-9, -2)),
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'(n,7na)': ({168}, (-10, -2)),
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'(n,4nd)': ({169}, (-5, -1)),
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'(n,5nd)': ({170}, (-6, -1)),
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'(n,6nd)': ({171}, (-7, -1)),
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'(n,3nt)': ({172}, (-5, -1)),
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'(n,4nt)': ({173}, (-6, -1)),
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'(n,5nt)': ({174}, (-7, -1)),
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'(n,6nt)': ({175}, (-8, -1)),
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'(n,2n3He)': ({176}, (-4, -2)),
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'(n,3n3He)': ({177}, (-5, -2)),
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'(n,4n3He)': ({178}, (-6, -2)),
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'(n,3n2p)': ({179}, (-4, -2)),
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'(n,3n2a)': ({180}, (-10, -4)),
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'(n,3npa)': ({181}, (-7, -3)),
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'(n,dt)': ({182}, (-4, -2)),
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'(n,npd)': ({183}, (-3, -2)),
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'(n,npt)': ({184}, (-4, -2)),
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'(n,ndt)': ({185}, (-5, -2)),
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'(n,np3He)': ({186}, (-4, -3)),
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'(n,nd3He)': ({187}, (-5, -3)),
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'(n,nt3He)': ({188}, (-6, -3)),
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'(n,nta)': ({189}, (-7, -3)),
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'(n,2n2p)': ({190}, (-3, -2)),
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'(n,p3He)': ({191}, (-4, -3)),
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'(n,d3He)': ({192}, (-5, -3)),
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'(n,3Hea)': ({193}, (-6, -4)),
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'(n,4n2p)': ({194}, (-5, -2)),
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'(n,4n2a)': ({195}, (-11, -4)),
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'(n,4npa)': ({196}, (-8, -3)),
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'(n,3p)': ({197}, (-2, -3)),
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'(n,n3p)': ({198}, (-3, -3)),
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'(n,3n2pa)': ({199}, (-8, -4)),
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'(n,5n2p)': ({200}, (-6, -2)),
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'(n,2nd)': ReactionInfo({11}, (-3, -1), ('H2',)),
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'(n,2n)': ReactionInfo(set(chain([16], range(875, 892))), (-1, 0), ()),
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'(n,3n)': ReactionInfo({17}, (-2, 0), ()),
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'(n,na)': ReactionInfo({22}, (-4, -2), ('He4',)),
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'(n,n3a)': ReactionInfo({23}, (-12, -6), ('He4', 'He4', 'He4')),
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'(n,2na)': ReactionInfo({24}, (-5, -2), ('He4',)),
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'(n,3na)': ReactionInfo({25}, (-6, -2), ('He4',)),
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'(n,np)': ReactionInfo({28}, (-1, -1), ('H1',)),
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'(n,n2a)': ReactionInfo({29}, (-8, -4), ('He4', 'He4')),
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'(n,2n2a)': ReactionInfo({30}, (-9, -4), ('He4', 'He4')),
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'(n,nd)': ReactionInfo({32}, (-2, -1), ('H2',)),
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'(n,nt)': ReactionInfo({33}, (-3, -1), ('H3',)),
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'(n,n3He)': ReactionInfo({34}, (-3, -2), ('He3',)),
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'(n,nd2a)': ReactionInfo({35}, (-10, -5), ('H2', 'He4', 'He4')),
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'(n,nt2a)': ReactionInfo({36}, (-11, -5), ('H3', 'He4', 'He4')),
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'(n,4n)': ReactionInfo({37}, (-3, 0), ()),
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'(n,2np)': ReactionInfo({41}, (-2, -1), ('H1',)),
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'(n,3np)': ReactionInfo({42}, (-3, -1), ('H1',)),
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'(n,n2p)': ReactionInfo({44}, (-2, -2), ('H1', 'H1')),
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'(n,npa)': ReactionInfo({45}, (-5, -3), ('H1', 'He4')),
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'(n,gamma)': ReactionInfo({102}, (1, 0), ()),
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'(n,p)': ReactionInfo(set(chain([103], range(600, 650))), (0, -1), ('H1',)),
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'(n,d)': ReactionInfo(set(chain([104], range(650, 700))), (-1, -1), ('H2',)),
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'(n,t)': ReactionInfo(set(chain([105], range(700, 750))), (-2, -1), ('H3',)),
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'(n,3He)': ReactionInfo(set(chain([106], range(750, 800))), (-2, -2), ('He3',)),
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'(n,a)': ReactionInfo(set(chain([107], range(800, 850))), (-3, -2), ('He4',)),
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'(n,2a)': ReactionInfo({108}, (-7, -4), ('He4', 'He4')),
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'(n,3a)': ReactionInfo({109}, (-11, -6), ('He4', 'He4', 'He4')),
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'(n,2p)': ReactionInfo({111}, (-1, -2), ('H1', 'H1')),
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'(n,pa)': ReactionInfo({112}, (-4, -3), ('H1', 'He4')),
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'(n,t2a)': ReactionInfo({113}, (-10, -5), ('H3', 'He4', 'He4')),
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'(n,d2a)': ReactionInfo({114}, (-9, -5), ('H2', 'He4', 'He4')),
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'(n,pd)': ReactionInfo({115}, (-2, -2), ('H1', 'H2')),
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'(n,pt)': ReactionInfo({116}, (-3, -2), ('H1', 'H3')),
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'(n,da)': ReactionInfo({117}, (-5, -3), ('H2', 'He4')),
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'(n,5n)': ReactionInfo({152}, (-4, 0), ()),
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'(n,6n)': ReactionInfo({153}, (-5, 0), ()),
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'(n,2nt)': ReactionInfo({154}, (-4, -1), ('H3',)),
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'(n,ta)': ReactionInfo({155}, (-6, -3), ('H3', 'He4')),
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'(n,4np)': ReactionInfo({156}, (-4, -1), ('H1',)),
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'(n,3nd)': ReactionInfo({157}, (-4, -1), ('H2',)),
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'(n,nda)': ReactionInfo({158}, (-6, -3), ('H2', 'He4')),
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'(n,2npa)': ReactionInfo({159}, (-6, -3), ('H1', 'He4')),
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'(n,7n)': ReactionInfo({160}, (-6, 0), ()),
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'(n,8n)': ReactionInfo({161}, (-7, 0), ()),
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'(n,5np)': ReactionInfo({162}, (-5, -1), ('H1',)),
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'(n,6np)': ReactionInfo({163}, (-6, -1), ('H1',)),
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'(n,7np)': ReactionInfo({164}, (-7, -1), ('H1',)),
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'(n,4na)': ReactionInfo({165}, (-7, -2), ('He4',)),
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'(n,5na)': ReactionInfo({166}, (-8, -2), ('He4',)),
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'(n,6na)': ReactionInfo({167}, (-9, -2), ('He4',)),
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'(n,7na)': ReactionInfo({168}, (-10, -2), ('He4',)),
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'(n,4nd)': ReactionInfo({169}, (-5, -1), ('H2',)),
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'(n,5nd)': ReactionInfo({170}, (-6, -1), ('H2',)),
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'(n,6nd)': ReactionInfo({171}, (-7, -1), ('H2',)),
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'(n,3nt)': ReactionInfo({172}, (-5, -1), ('H3',)),
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'(n,4nt)': ReactionInfo({173}, (-6, -1), ('H3',)),
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'(n,5nt)': ReactionInfo({174}, (-7, -1), ('H3',)),
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'(n,6nt)': ReactionInfo({175}, (-8, -1), ('H3',)),
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'(n,2n3He)': ReactionInfo({176}, (-4, -2), ('He3',)),
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'(n,3n3He)': ReactionInfo({177}, (-5, -2), ('He3',)),
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'(n,4n3He)': ReactionInfo({178}, (-6, -2), ('He3',)),
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'(n,3n2p)': ReactionInfo({179}, (-4, -2), ('H1', 'H1')),
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'(n,3n2a)': ReactionInfo({180}, (-10, -4), ('He4', 'He4')),
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'(n,3npa)': ReactionInfo({181}, (-7, -3), ('H1', 'He4')),
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'(n,dt)': ReactionInfo({182}, (-4, -2), ('H2', 'H3')),
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'(n,npd)': ReactionInfo({183}, (-3, -2), ('H1', 'H2')),
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'(n,npt)': ReactionInfo({184}, (-4, -2), ('H1', 'H3')),
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'(n,ndt)': ReactionInfo({185}, (-5, -2), ('H2', 'H3')),
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'(n,np3He)': ReactionInfo({186}, (-4, -3), ('H1', 'He3')),
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'(n,nd3He)': ReactionInfo({187}, (-5, -3), ('H2', 'He3')),
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'(n,nt3He)': ReactionInfo({188}, (-6, -3), ('H3', 'He3')),
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'(n,nta)': ReactionInfo({189}, (-7, -3), ('H3', 'He4')),
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'(n,2n2p)': ReactionInfo({190}, (-3, -2), ('H1', 'H1')),
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'(n,p3He)': ReactionInfo({191}, (-4, -3), ('H1', 'He3')),
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'(n,d3He)': ReactionInfo({192}, (-5, -3), ('H2', 'He3')),
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'(n,3Hea)': ReactionInfo({193}, (-6, -4), ('He3', 'He4')),
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'(n,4n2p)': ReactionInfo({194}, (-5, -2), ('H1', 'H1')),
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'(n,4n2a)': ReactionInfo({195}, (-11, -4), ('He4', 'He4')),
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'(n,4npa)': ReactionInfo({196}, (-8, -3), ('H1', 'He4')),
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'(n,3p)': ReactionInfo({197}, (-2, -3), ('H1', 'H1', 'H1')),
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'(n,n3p)': ReactionInfo({198}, (-3, -3), ('H1', 'H1', 'H1')),
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'(n,3n2pa)': ReactionInfo({199}, (-8, -4), ('H1', 'H1', 'He4')),
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'(n,5n2p)': ReactionInfo({200}, (-6, -2), ('H1', 'H1')),
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}
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TRANSMUTATION_REACTIONS = [
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@ -222,85 +241,6 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
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return 'U235'
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_SECONDARY_PARTICLES = {
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'(n,p)': ('H1',),
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'(n,d)': ('H2',),
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'(n,t)': ('H3',),
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'(n,3He)': ('He3',),
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'(n,a)': ('He4',),
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'(n,2nd)': ('H2',),
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'(n,na)': ('He4',),
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'(n,3na)': ('He4',),
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'(n,n3a)': ('He4', 'He4', 'He4'),
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'(n,2na)': ('He4',),
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'(n,np)': ('H1',),
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'(n,n2a)': ('He4', 'He4'),
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'(n,2n2a)': ('He4', 'He4'),
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'(n,nd)': ('H2',),
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'(n,nt)': ('H3',),
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'(n,nHe-3)': ('He3',),
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'(n,nd2a)': ('H2', 'He4', 'He4'),
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'(n,nt2a)': ('H3', 'He4', 'He4'),
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'(n,2np)': ('H1',),
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'(n,3np)': ('H1',),
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'(n,n2p)': ('H1', 'H1'),
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'(n,2a)': ('He4', 'He4'),
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'(n,3a)': ('He4', 'He4', 'He4'),
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'(n,2p)': ('H1', 'H1'),
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'(n,pa)': ('H1', 'He4'),
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'(n,t2a)': ('H3', 'He4', 'He4'),
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'(n,d2a)': ('H2', 'He4', 'He4'),
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'(n,pd)': ('H1', 'H2'),
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'(n,pt)': ('H1', 'H3'),
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'(n,da)': ('H2', 'He4'),
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'(n,2nt)': ('H3',),
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'(n,ta)': ('H3', 'He4'),
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'(n,4np)': ('H1',),
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'(n,3nd)': ('H2',),
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'(n,nda)': ('H2', 'He4'),
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'(n,2npa)': ('H1', 'He4'),
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'(n,5np)': ('H1',),
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'(n,6np)': ('H1',),
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'(n,7np)': ('H1',),
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'(n,4na)': ('He4',),
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'(n,5na)': ('He4',),
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'(n,6na)': ('He4',),
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'(n,7na)': ('He4',),
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'(n,4nd)': ('H2',),
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'(n,5nd)': ('H2',),
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'(n,6nd)': ('H2',),
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'(n,3nt)': ('H3',),
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'(n,4nt)': ('H3',),
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'(n,5nt)': ('H3',),
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'(n,6nt)': ('H3',),
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'(n,2n3He)': ('He3',),
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'(n,3n3He)': ('He3',),
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'(n,4n3He)': ('He3',),
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'(n,3n2p)': ('H1', 'H1'),
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'(n,3n2a)': ('He4', 'He4'),
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'(n,3npa)': ('H1', 'He4'),
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'(n,dt)': ('H2', 'H3'),
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'(n,npd)': ('H1', 'H2'),
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'(n,npt)': ('H1', 'H3'),
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'(n,ndt)': ('H2', 'H3'),
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'(n,np3He)': ('H1', 'He3'),
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'(n,nd3He)': ('H2', 'He3'),
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'(n,nt3He)': ('H3', 'He3'),
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'(n,nta)': ('H3', 'He4'),
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'(n,2n2p)': ('H1', 'H1'),
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'(n,p3He)': ('H1', 'He3'),
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'(n,d3He)': ('H2', 'He3'),
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'(n,3Hea)': ('He3', 'He4'),
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'(n,4n2p)': ('H1', 'H1'),
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'(n,4n2a)': ('He4', 'He4'),
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'(n,4npa)': ('H1', 'He4'),
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'(n,3p)': ('H1', 'H1', 'H1'),
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'(n,n3p)': ('H1', 'H1', 'H1'),
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'(n,3n2pa)': ('H1', 'H1', 'He4'),
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'(n,5n2p)': ('H1', 'H1'),
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}
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class Chain:
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"""Full representation of a depletion chain.
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@ -462,7 +402,7 @@ class Chain:
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if parent in reactions:
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reactions_available = set(reactions[parent].keys())
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for name in TRANSMUTATION_REACTIONS:
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mts, changes = _REACTIONS[name]
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mts, changes, _ = _REACTIONS[name]
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if mts & reactions_available:
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delta_A, delta_Z = changes
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A = data.nuclide['mass_number'] + delta_A
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@ -710,7 +650,7 @@ class Chain:
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# Determine light nuclide production, e.g., (n,d) should
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# produce H2
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light_nucs = _SECONDARY_PARTICLES.get(r_type, [])
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light_nucs = _REACTIONS[r_type].secondaries
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for light_nuc in light_nucs:
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k = self.nuclide_dict.get(light_nuc)
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if k is not None:
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@ -824,7 +764,7 @@ class Chain:
|
|||
bad_sums = {}
|
||||
|
||||
# Secondary products, like alpha particles, should not be modified
|
||||
secondary = _SECONDARY_PARTICLES.get(reaction, [])
|
||||
secondary = _REACTIONS[reaction].secondaries
|
||||
|
||||
# Check for validity before manipulation
|
||||
|
||||
|
|
@ -1149,7 +1089,10 @@ class Chain:
|
|||
continue
|
||||
|
||||
# Figure out if this reaction produces light nuclides
|
||||
secondaries = _SECONDARY_PARTICLES.get(rxn.type, [])
|
||||
if rxn.type in _REACTIONS:
|
||||
secondaries = _REACTIONS[rxn.type].secondaries
|
||||
else:
|
||||
secondaries = []
|
||||
|
||||
# Only include secondaries if they are present in original chain
|
||||
secondaries = [x for x in secondaries if x in self]
|
||||
|
|
|
|||
|
|
@ -124,7 +124,7 @@ const std::unordered_map<int, std::string> REACTION_NAME_MAP {
|
|||
{N_2N2A, "(n,2n2a)"},
|
||||
{N_ND, "(n,nd)"},
|
||||
{N_NT, "(n,nt)"},
|
||||
{N_N3HE, "(n,nHe-3)"},
|
||||
{N_N3HE, "(n,n3He)"},
|
||||
{N_ND2A, "(n,nd2a)"},
|
||||
{N_NT2A, "(n,nt2a)"},
|
||||
{N_4N, "(n,4n)"},
|
||||
|
|
|
|||
|
|
@ -154,7 +154,7 @@ score_str_to_int(std::string score_str)
|
|||
return N_ND;
|
||||
if (score_str == "(n,nt)")
|
||||
return N_NT;
|
||||
if (score_str == "(n,nHe-3)")
|
||||
if (score_str == "(n,n3He)")
|
||||
return N_N3HE;
|
||||
if (score_str == "(n,nd2a)")
|
||||
return N_ND2A;
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue