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Update recognized thermal scattering materials for ENDF/B-VIII.1 (#3267)
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@paulromano
paulromano authored Jan 20, 2025
1 parent 3bf1486 commit 9170bf3
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67 changes: 67 additions & 0 deletions openmc/data/njoy.py
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Original file line number Diff line number Diff line change
Expand Up @@ -18,21 +18,45 @@
'c_Al27': ThermalTuple('al27', [13027], 1),
'c_Al_in_Al2O3': ThermalTuple('asap00', [13027], 1),
'c_Be': ThermalTuple('be', [4009], 1),
'c_Be_distinct': ThermalTuple('besd', [4009], 1),
'c_Be_in_BeO': ThermalTuple('bebeo', [4009], 1),
'c_Be_in_Be2C': ThermalTuple('bebe2c', [4009], 1),
'c_Be_in_BeF2': ThermalTuple('bebef2', [4009], 1),
'c_Be_in_FLiBe': ThermalTuple('beflib', [4009], 1),
'c_C6H6': ThermalTuple('benz', [1001, 6000, 6012], 2),
'c_C_in_Be2C': ThermalTuple('cbe2c', [6000, 6012, 6013], 1),
'c_C_in_C5O2H8': ThermalTuple('clucit', [6000, 6012, 6013], 1),
'c_C_in_C8H8': ThermalTuple('cc8h8', [6000, 6012, 6013], 1),
'c_C_in_CF2': ThermalTuple('ccf2', [6000, 6012, 6013], 1),
'c_C_in_SiC': ThermalTuple('csic', [6000, 6012, 6013], 1),
'c_C_in_UC_100p': ThermalTuple('cuc100', [6000, 6012, 6013], 1),
'c_C_in_UC_10p': ThermalTuple('cuc10', [6000, 6012, 6013], 1),
'c_C_in_UC_5p': ThermalTuple('cuc5', [6000, 6012, 6013], 1),
'c_C_in_UC': ThermalTuple('cinuc', [6000, 6012, 6013], 1),
'c_C_in_UC_HALEU': ThermalTuple('cuchal', [6000, 6012, 6013], 1),
'c_C_in_UC_HEU': ThermalTuple('cucheu', [6000, 6012, 6013], 1),
'c_C_in_ZrC': ThermalTuple('czrc', [6000, 6012, 6013], 1),
'c_Ca_in_CaH2': ThermalTuple('cacah2', [20040, 20042, 20043, 20044, 20046, 20048], 1),
'c_D_in_7LiD': ThermalTuple('dlid', [1002], 1),
'c_D_in_D2O': ThermalTuple('dd2o', [1002], 1),
'c_D_in_D2O_solid': ThermalTuple('dice', [1002], 1),
'c_F_in_Be2': ThermalTuple('fbef2', [9019], 1),
'c_F_in_CF2': ThermalTuple('fcf2', [9019], 1),
'c_F_in_FLiBe': ThermalTuple('fflibe', [9019], 1),
'c_F_in_HF': ThermalTuple('f_hf', [9019], 1),
'c_F_in_MgF2': ThermalTuple('fmgf2', [9019], 1),
'c_Fe56': ThermalTuple('fe56', [26056], 1),
'c_Graphite': ThermalTuple('graph', [6000, 6012, 6013], 1),
'c_Graphite_10p': ThermalTuple('grph10', [6000, 6012, 6013], 1),
'c_Graphite_20p': ThermalTuple('grph20', [6000, 6012, 6013], 1),
'c_Graphite_30p': ThermalTuple('grph30', [6000, 6012, 6013], 1),
'c_Graphite_distinct': ThermalTuple('grphsd', [6000, 6012, 6013], 1),
'c_H_in_7LiH': ThermalTuple('hlih', [1001], 1),
'c_H_in_C5O2H8': ThermalTuple('lucite', [1001], 1),
'c_H_in_C8H8': ThermalTuple('hc8h8', [1001], 1),
'c_H_in_CaH2': ThermalTuple('hcah2', [1001], 1),
'c_H1_in_CaH2': ThermalTuple('h1cah2', [1001], 1),
'c_H2_in_CaH2': ThermalTuple('h2cah2', [1001], 1),
'c_H_in_CH2': ThermalTuple('hch2', [1001], 1),
'c_H_in_CH4_liquid': ThermalTuple('lch4', [1001], 1),
'c_H_in_CH4_solid': ThermalTuple('sch4', [1001], 1),
Expand All @@ -49,24 +73,67 @@
'c_H_in_ZrH2': ThermalTuple('hzrh2', [1001], 1),
'c_H_in_ZrHx': ThermalTuple('hzrhx', [1001], 1),
'c_Li_in_FLiBe': ThermalTuple('liflib', [3006, 3007], 1),
'c_Li_in_7LiD': ThermalTuple('lilid', [3007], 1),
'c_Li_in_7LiH': ThermalTuple('lilih', [3007], 1),
'c_Mg24': ThermalTuple('mg24', [12024], 1),
'c_Mg_in_MgF2': ThermalTuple('mgmgf2', [12024, 12025, 12026], 1),
'c_Mg_in_MgO': ThermalTuple('mgmgo', [12024, 12025, 12026], 1),
'c_N_in_UN_100p': ThermalTuple('nun100', [7014, 7015], 1),
'c_N_in_UN_10p': ThermalTuple('nun10', [7014, 7015], 1),
'c_N_in_UN_5p': ThermalTuple('nun5', [7014, 7015], 1),
'c_N_in_UN': ThermalTuple('n-un', [7014, 7015], 1),
'c_N_in_UN_HALEU': ThermalTuple('nunhal', [7014, 7015], 1),
'c_N_in_UN_HEU': ThermalTuple('nunheu', [7014, 7015], 1),
'c_O_in_Al2O3': ThermalTuple('osap00', [8016, 8017, 8018], 1),
'c_O_in_BeO': ThermalTuple('obeo', [8016, 8017, 8018], 1),
'c_O_in_C5O2H8': ThermalTuple('olucit', [8016, 8017, 8018], 1),
'c_O_in_D2O': ThermalTuple('od2o', [8016, 8017, 8018], 1),
'c_O_in_H2O_solid': ThermalTuple('oice', [8016, 8017, 8018], 1),
'c_O_in_MgO': ThermalTuple('omgo', [8016, 8017, 8018], 1),
'c_O_in_PuO2': ThermalTuple('opuo2', [8016, 8017, 8018], 1),
'c_O_in_SiO2_alpha': ThermalTuple('osio2a', [8016, 8017, 8018], 1),
'c_O_in_UO2_100p': ThermalTuple('ouo200', [8016, 8017, 8018], 1),
'c_O_in_UO2_10p': ThermalTuple('ouo210', [8016, 8017, 8018], 1),
'c_O_in_UO2_5p': ThermalTuple('ouo25', [8016, 8017, 8018], 1),
'c_O_in_UO2': ThermalTuple('ouo2', [8016, 8017, 8018], 1),
'c_O_in_UO2_HALEU': ThermalTuple('ouo2hl', [8016, 8017, 8018], 1),
'c_O_in_UO2_HEU': ThermalTuple('ouo2he', [8016, 8017, 8018], 1),
'c_ortho_D': ThermalTuple('orthod', [1002], 1),
'c_ortho_H': ThermalTuple('orthoh', [1001], 1),
'c_para_D': ThermalTuple('parad', [1002], 1),
'c_para_H': ThermalTuple('parah', [1001], 1),
'c_Pu_in_PuO2': ThermalTuple('puo2', [94239, 94240, 94241, 94242, 94243], 1),
'c_Si28': ThermalTuple('si00', [14028], 1),
'c_Si_in_SiC': ThermalTuple('sisic', [14028, 14029, 14030], 1),
'c_Si_in_SiO2_alpha': ThermalTuple('si_o2a', [14028, 14029, 14030], 1),
'c_SiO2_alpha': ThermalTuple('sio2-a', [8016, 8017, 8018, 14028, 14029, 14030], 3),
'c_SiO2_beta': ThermalTuple('sio2-b', [8016, 8017, 8018, 14028, 14029, 14030], 3),
'c_U_metal_100p': ThermalTuple('u-100p', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_metal_10p': ThermalTuple('u-10p', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_metal_5p': ThermalTuple('u-5p', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_metal': ThermalTuple('umetal', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_metal_HALEU': ThermalTuple('uhaleu', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_metal_HEU': ThermalTuple('u-heu', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UC_100p': ThermalTuple('uc-100', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UC_10p': ThermalTuple('uc-10', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UC_5p': ThermalTuple('uc-5', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UC': ThermalTuple('uc-nat', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UC_HALEU': ThermalTuple('uc-hal', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UC_HEU': ThermalTuple('uc-heu', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UN_100p': ThermalTuple('un-100', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UN_10p': ThermalTuple('un-10', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UN_5p': ThermalTuple('un-5', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UN': ThermalTuple('u-un', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UN_HALEU': ThermalTuple('un-hal', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UN_HEU': ThermalTuple('un-heu', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UO2_100p': ThermalTuple('uo2100', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UO2_10p': ThermalTuple('uo2-10', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UO2_5p': ThermalTuple('uo2-5', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UO2': ThermalTuple('uuo2', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UO2_HALEU': ThermalTuple('uo2hal', [92233, 92234, 92235, 92236, 92238], 1),
'c_U_in_UO2_HEU': ThermalTuple('uo2heu', [92233, 92234, 92235, 92236, 92238], 1),
'c_Y_in_YH2': ThermalTuple('yyh2', [39089], 1),
'c_Zr_in_ZrC': ThermalTuple('zrzrc', [40000, 40090, 40091, 40092, 40094, 40096], 1),
'c_Zr_in_ZrH': ThermalTuple('zrzrh', [40000, 40090, 40091, 40092, 40094, 40096], 1),
'c_Zr_in_ZrH2': ThermalTuple('zrzrh2', [40000, 40090, 40091, 40092, 40094, 40096], 1),
'c_Zr_in_ZrHx': ThermalTuple('zrzrhx', [40000, 40090, 40091, 40092, 40094, 40096], 1),
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89 changes: 78 additions & 11 deletions openmc/data/thermal.py
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Original file line number Diff line number Diff line change
Expand Up @@ -32,55 +32,122 @@
'c_Al_in_Al2O3': ('asap00', 'asap', 'al(al2o3)'),
'c_Be': ('be', 'be-metal', 'be-met', 'be00', 'be-metal', 'be metal', '4-be'),
'c_BeO': ('beo',),
'c_Be_in_BeO': ('bebeo', 'be-beo', 'be-o', 'be/o', 'bbeo00', 'be(beo)'),
'c_Be_in_Be2C': ('bebe2c',),
'c_Be_distinct': ('besd', 'be+sd'),
'c_Be_in_BeO': ('bebeo', 'be-beo', 'be-o', 'be/o', 'bbeo00', 'be(beo)', 'be_beo'),
'c_Be_in_Be2C': ('bebe2c', 'be(be2c)'),
'c_Be_in_BeF2': ('bebef2', 'be in bef2'),
'c_Be_in_FLiBe': ('beflib', 'be(flibe)'),
'c_C6H6': ('benz', 'c6h6', 'benzine'),
'c_C_in_SiC': ('csic', 'c-sic', 'c(3c-sic)'),
'c_Ca_in_CaH2': ('cah', 'cah00', 'cacah2', 'ca(cah2)'),
'c_C_in_Be2C': ('cbe2c', 'c(be2c)'),
'c_C_in_C5O2H8': ('clucit', 'c(lucite)'),
'c_C_in_C8H8': ('cc8h8', 'c(polystyr'),
'c_C_in_CF2': ('ccf2', 'c(teflon)'),
'c_C_in_SiC': ('csic', 'c-sic', 'c(3c-sic)', 'c_sic'),
'c_C_in_UC_100p': ('cuc100', 'cinuc_100p'),
'c_C_in_UC_10p': ('cuc10', 'cinuc_10p'),
'c_C_in_UC_5p': ('cuc5', 'cinuc_5p'),
'c_C_in_UC': ('cinuc', 'cinuc_nat'),
'c_C_in_UC_HALEU': ('cuchal', 'cinuc_haleu'),
'c_C_in_UC_HEU': ('cucheu', 'cinuc_heu'),
'c_C_in_ZrC': ('czrc', 'c(zrc)'),
'c_Ca_in_CaH2': ('cah', 'cah00', 'cacah2', 'ca(cah2)', 'ca_cah2'),
'c_D_in_7LiD': ('dlid', 'd(7lid)'),
'c_D_in_D2O': ('dd2o', 'd-d2o', 'hwtr', 'hw', 'dhw00', 'd(d2o)'),
'c_D_in_D2O_ice': ('dice',),
'c_D_in_D2O_solid': ('dice',),
'c_F_in_Be2': ('fbef2', 'f in bef2'),
'c_F_in_CF2': ('fcf2', 'f(teflon)'),
'c_F_in_FLiBe': ('fflibe', 'f(flibe)'),
'c_F_in_HF': ('f_hf',),
'c_F_in_MgF2': ('fmgf2', 'f in mgf2'),
'c_Fe56': ('fe', 'fe56', 'fe-56', '26-fe- 56'),
'c_Graphite': ('graph', 'grph', 'gr', 'gr00', 'graphite'),
'c_Graphite_10p': ('grph10', '10p graphit'),
'c_Graphite_20p': ('grph20', '20 graphite'),
'c_Graphite_30p': ('grph30', '30p graphit'),
'c_Graphite_distinct': ('grphsd', 'grph+sd'),
'c_H_in_7LiH': ('hlih', 'h(7lih)'),
'c_H_in_C5O2H8': ('lucite', 'c5o2h8', 'h-luci', 'h(lucite)'),
'c_H_in_C8H8': ('hc8h8', 'h(polystyr'),
'c_H_in_CaH2': ('hcah2', 'hca00', 'h(cah2)'),
'c_H1_in_CaH2': ('h1cah2', 'h1_cah2'),
'c_H2_in_CaH2': ('h2cah2', 'h2_cah2'),
'c_H_in_CH2': ('hch2', 'poly', 'pol', 'h-poly', 'pol00', 'h(ch2)'),
'c_H_in_CH4_liquid': ('lch4', 'lmeth', 'l-ch4'),
'c_H_in_CH4_solid': ('sch4', 'smeth', 's-ch4'),
'c_H_in_CH4_solid_phase_II': ('sch4p2',),
'c_H_in_H2O': ('hh2o', 'h-h2o', 'lwtr', 'lw', 'lw00', 'h(h2o)'),
'c_H_in_H2O_solid': ('hice', 'h-ice', 'ice00', 'h(ice-ih)', 'h(ice)'),
'c_H_in_HF': ('hhf', 'h(hf)'),
'c_H_in_HF': ('hhf', 'h(hf)', 'h_hf'),
'c_H_in_Mesitylene': ('mesi00', 'mesi', 'mesi-phii'),
'c_H_in_ParaffinicOil': ('hparaf', 'h(paraffin'),
'c_H_in_ParaffinicOil': ('hparaf', 'h(paraffin', 'h(paraffini'),
'c_H_in_Toluene': ('tol00', 'tol', 'tolue-phii'),
'c_H_in_UH3': ('huh3', 'h(uh3)'),
'c_H_in_YH2': ('hyh2', 'h-yh2', 'h(yh2)'),
'c_H_in_ZrH': ('hzrh', 'h-zrh', 'h-zr', 'h/zr', 'hzr', 'hzr00', 'h(zrh)'),
'c_H_in_ZrH2': ('hzrh2', 'h(zrh2)'),
'c_H_in_ZrHx': ('hzrhx', 'h(zrhx)'),
'c_Li_in_FLiBe': ('liflib', 'li(flibe)'),
'c_Li_in_7LiD': ('lilid', '7li(7lid)'),
'c_Li_in_7LiH': ('lilih', '7li(7lih)'),
'c_Mg24': ('mg', 'mg24', 'mg00', '24-mg'),
'c_N_in_UN': ('n-un', 'n(un)', 'n(un) l'),
'c_Mg_in_MgF2': ('mgmgf2', 'mg in mgf2'),
'c_Mg_in_MgO': ('mgmgo', 'mg in mgo'),
'c_N_in_UN_100p': ('nun100', 'n-un-100p'),
'c_N_in_UN_10p': ('nun10', 'n-un-10p'),
'c_N_in_UN_5p': ('nun5', 'n-un-5p'),
'c_N_in_UN': ('n-un', 'n(un)', 'n(un) l', 'ninun'),
'c_N_in_UN_HALEU': ('nunhal', 'n-un-haleu'),
'c_N_in_UN_HEU': ('nunheu', 'n-un-heu'),
'c_O_in_Al2O3': ('osap00', 'osap', 'o(al2o3)'),
'c_O_in_BeO': ('obeo', 'o-beo', 'o-be', 'o/be', 'obeo00', 'o(beo)'),
'c_O_in_BeO': ('obeo', 'o-beo', 'o-be', 'o/be', 'obeo00', 'o(beo)', 'o_beo'),
'c_O_in_C5O2H8': ('olucit', 'o(lucite)'),
'c_O_in_D2O': ('od2o', 'o-d2o', 'ohw00', 'o(d2o)'),
'c_O_in_H2O_solid': ('oice', 'o-ice', 'o(ice-ih)'),
'c_O_in_MgO': ('omgo', 'o in mgo'),
'c_O_in_PuO2': ('opuo2', 'o in puo2'),
'c_O_in_SiO2_alpha': ('osio2a', 'o_sio2a'),
'c_O_in_UO2_100p': ('ouo200', 'o-uo2-100p'),
'c_O_in_UO2_10p': ('ouo210', 'oinuo2-10p'),
'c_O_in_UO2_5p': ('ouo25', 'oinuo2-5p'),
'c_O_in_UO2': ('ouo2', 'o-uo2', 'o2-u', 'o2/u', 'ouo200', 'o(uo2)'),
'c_O_in_UO2_HALEU': ('ouo2hl', 'ouo2-haleu'),
'c_O_in_UO2_HEU': ('ouo2he', 'o_uo2-heu'),
'c_ortho_D': ('orthod', 'orthoD', 'dortho', 'od200', 'ortod', 'ortho-d'),
'c_ortho_H': ('orthoh', 'orthoH', 'hortho', 'oh200', 'ortoh', 'ortho-h'),
'c_para_D': ('parad', 'paraD', 'dpara', 'pd200', 'para-d'),
'c_para_H': ('parah', 'paraH', 'hpara', 'ph200', 'para-h'),
'c_Pu_in_PuO2': ('puo2', 'pu in puo2'),
'c_Si28': ('si00', 'sili', 'si'),
'c_Si_in_SiC': ('sisic', 'si-sic', 'si(3c-sic)'),
'c_Si_in_SiC': ('sisic', 'si-sic', 'si(3c-sic)', 'si_sic'),
'c_Si_in_SiO2_alpha': ('si_o2a', 'si_sio2a'),
'c_SiO2_alpha': ('sio2', 'sio2a', 'sio2alpha'),
'c_SiO2_beta': ('sio2b', 'sio2beta'),
'c_U_in_UN': ('u-un', 'u(un)', 'u(un) l'),
'c_U_metal_100p': ('u-100p',),
'c_U_metal_10p': ('u-10p',),
'c_U_metal_5p': ('u-5p',),
'c_U_metal': ('umetal', 'u-metal'),
'c_U_metal_HALEU': ('uhaleu', 'u-haleu'),
'c_U_metal_HEU': ('u-heu',),
'c_U_in_UC_100p': ('uc-100', 'uinuc_100p'),
'c_U_in_UC_10p': ('uc-10', 'uinuc_10p'),
'c_U_in_UC_5p': ('uc-5', 'uinuc_5p'),
'c_U_in_UC': ('uc-nat', 'uinuc_nat'),
'c_U_in_UC_HALEU': ('uc-hal', 'uinuc_haleu'),
'c_U_in_UC_HEU': ('uc-heu', 'uinuc_heu'),
'c_U_in_UN_100p': ('un-100', 'u-un-100p'),
'c_U_in_UN_10p': ('un-10', 'u-un-10p'),
'c_U_in_UN_5p': ('un-5', 'u-un-5p'),
'c_U_in_UN': ('u-un', 'u(un)', 'u(un) l', 'uinun'),
'c_U_in_UN_HALEU': ('un-hal', 'u-un-haleu'),
'c_U_in_UN_HEU': ('un-heu', 'u-un-heu'),
'c_U_in_UO2_100p': ('uo2100', 'uuo2-100p'),
'c_U_in_UO2_10p': ('uo2-10', 'uuo2-10p'),
'c_U_in_UO2_5p': ('uo2-5', 'uuo2-5p'),
'c_U_in_UO2': ('uuo2', 'u-uo2', 'u-o2', 'u/o2', 'uuo200', 'u(uo2)'),
'c_U_in_UO2_HALEU': ('uo2hal', 'uuo2-haleu'),
'c_U_in_UO2_HEU': ('uo2heu', 'u_uo2-heu'),
'c_Y_in_YH2': ('yyh2', 'y-yh2', 'y(yh2)'),
'c_Zr_in_ZrC': ('zrzrc', 'zr(zrc)'),
'c_Zr_in_ZrH': ('zrzrh', 'zr-zrh', 'zr-h', 'zr/h', 'zr(zrh)'),
'c_Zr_in_ZrH2': ('zrzrh2', 'zr(zrh2)'),
'c_Zr_in_ZrHx': ('zrzrhx', 'zr(zrhx)'),
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