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