Proposal Inclusion of absolute atomic radiation energies and emission probabilities in decay data sets Tibor Kibèdi (ANU) and Filip Kondev (ANL) Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna Atomic Data in ENSDF BrIccEmis (Dec-2014) Transition energies: Auger 300 k of 453 types X-ray: 17.4 k of 55 types Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University Need to Contain energy and intensity for the users Readable by computer codes Use standard notation NSDD April 2015, IAEA, Vienna Notation Comment X-rays Auger electrons Notation: from IUPAC International Union of Pure and Applied Chemistry Based on initial and final atomic levels involved K-L3 K-L1-L2 Group sub-shells to reduce number of transitions Summed decay rates Use the mean transition energy for the group L (for L1-M2, … L3-O4) KLL (for K-L1-L1, … K-L3-L3) But not for K Ka1 for K-L3 Ka2 for K-L2 Kb for K-M3&KM2 KLX (X=M1….,N1….) Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University KXY (X&Y=M1….,N1….) NSDD April 2015, IAEA, Vienna Inclusion of atomic relaxation data into ENSDF 111CDSAD AKtot=20.298 [0.1526 23]$AKLL=19.223 [0.1058 17]$AKLX=22.464 [0.0428 25]$ ... 111CDSXD Xtot=10.843 [1.855 17]$XKtot=23.706 [0.836 34]$XKL2=23.058 [0.2415 12]$ ... NewL ENSDF record1/2+ type “D” (col. 8)STABLE and “S” (col. 6) with “A” 111CD 0.0 (Auger) and “X” (X-ray) in column 7; 16 records for 111In Only appears in DECAY data sets just before the ground state level record Each entry: (a) Radiation group (“Aktot=“); (b) Mean energy in keV; (c) Intensity (on the same scale as gammas; “[RI DRI]”) Intensities cut off: 0.0001/decay Detailed spectra (list and figure) stored on the ENSDF file server Uncertainties: need further study how to deduce Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna Correlation between energy deposition and molecular damage from Auger electrons A case study of ultra-low energy (5–18 eV) electron interactions with DNA M. Rezaee, D.J. Hunting, L. Sanche, Univ. de Sherbrooke, Sherbrooke, Québec, Canada Med. Phys. 41 (2014) 072502 2014Rezaee (isolated atom) BrIccEmis (isolated atom) BrIccEmis (fast neutralisation) 1.2 2.4 8.4 1.0 N(Eo) 0.8 Nanodosimetric model (V=4.3 nm3!) based on the medical internal radiation dose (MIRD) schema (M. Michaud et al. Phys. Rev E 87 (2013) 032701) Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University N(5-18 eV) per 125I EC decay 0.6 0.4 0.2 0.0 0 5 10 15 20 Eo [eV] 8-Dec-2014, IAEA CRP Inclusion of atomic relaxation data into ENSDF # # # # # Auger electron spectrum calculated with BrIccEmis (23-Sep-2012) 2012Le09 - B.Q. Lee, T. Kibédi, A.E. Stuchbery, K.A. Robertson, Comput. Math. Meth. Med. (2012) 651475. ENSDF file: 111In_EC.ens Number of MC events: 1.00E+06 Energy [eV] Prob/Decay Transition 0.2564314665505663E-02 0.2000000E-05 N3 O1 O1 0.3382129158126190E-02 0.2000000E-05 M3 M4 N2 0.8580056135542691E-02 0.1000000E-05 N1 N4 N4 0.1006155717186630E-01 0.1300000E-04 M3 M5 N3 0.1251549087464809E-01 0.1000000E-05 M3 M4 N3 0.1370093508739956E-01 0.3000000E-05 N1 O1 O1 0.1575733287609182E-01 0.1000000E-05 M1 M3 N2 0.1615695515647531E-01 0.1600000E-04 N3 N5 O1 0.1823203373351134E-01 0.6000000E-05 M3 M5 N3 0.1938508616876788E-01 0.2000000E-05 M3 M5 N3 0.2405271388124675E-01 0.1000000E-05 N1 N5 N5 0.2876172141986899E-01 0.1000000E-05 M3 M4 N3 0.2945651562185958E-01 0.2000000E-05 M3 M5 N3 0.2977057074895129E-01 0.3000000E-05 M3 M5 N3 0.3186989165260457E-01 0.2000000E-04 N1 N4 N4 0.3758543072035536E-01 0.4000000E-05 N1 N5 N5 0.3957409400027245E-01 0.1800000E-03 N3 N4 O1 0.4244740249123424E-01 0.2000000E-05 M3 M5 N3 Auger electron energy spectrum for plotting & input for MC simulations Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna S_G records Current record created by BrIcc 71GES G KC=169.5 $LC=32.7 $MC=5.03$ Modified records, ICC ratios not changed 71GES G KC=12.33 [169.5 25]$LC=22.07 [32.7 5]$MC=23.27 [5.03 8]$ Energy ICC DICC Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna