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Activation Calculations-Present and Future. SATIF-10 June 2-4, 2010 Franz Gallmeier. TN-RAM cask. target modulee. liner. The first SNS Spent Target leaving the SNS Site. Moderators. protons. Target. Inner Reflector. Outer Reflector. Target Activation(1). - PowerPoint PPT Presentation
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Activation Calculations-Present and Future
SATIF-10June 2-4, 2010Franz Gallmeier
2 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
The first SNS Spent Target leaving the SNS Site
target modulee
liner
TN-RAMcask
3 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Target Activation(1)
Target
Moderators
Inner Reflector
Outer Reflector
protons
Thomas/Stevenson: Asat≈E(GeV) Bq per proton/second ASNS= 6e15 Bq
4 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Target Activation (2) time after shutdown
nuclide
halflife (s)
shutdown 1 day 7 days 30 days 60 days 90 days 120 days 1 year 3 years 10 years
H 3 3.89E+08 3.13E+01 3.13E+01 3.12E+01 3.11E+01 3.10E+01 3.08E+01 3.07E+01 2.96E+01 2.64E+01 1.78E+01 Be 7 4.61E+06 1.78E+00 1.76E+00 1.63E+00 1.21E+00 8.17E-01 5.53E-01 3.74E-01 1.54E-02 1.16E-06 4.19E-21 Be 10 4.77E+13 4.87E-07 4.87E-07 4.87E-07 4.87E-07 4.87E-07 4.87E-07 4.87E-07 4.87E-07 4.87E-07 4.87E-07 C 14 1.80E+11 4.20E-05 4.20E-05 4.20E-05 4.20E-05 4.20E-05 4.20E-05 4.20E-05 4.20E-05 4.20E-05 4.19E-05 F 18 6.59E+03 9.44E+00 1.06E-03 2.15E-27 3.20E-118 1.08E-236 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 Na 22 8.21E+07 4.53E+00 4.52E+00 4.50E+00 4.43E+00 4.33E+00 4.24E+00 4.15E+00 3.47E+00 2.04E+00 3.15E-01 Mg 28 7.53E+04 3.98E-01 1.80E-01 1.52E-03 1.73E-11 7.49E-22 3.25E-32 1.41E-42 2.72E-127 0.00E+00 0.00E+00 Al 26 2.27E+13 2.53E-05 2.53E-05 2.53E-05 2.53E-05 2.53E-05 2.53E-05 2.53E-05 2.53E-05 2.53E-05 2.53E-05 Al 28 1.34E+02 1.55E+02 1.80E-01 1.52E-03 1.73E-11 7.50E-22 3.25E-32 1.41E-42 2.72E-127 0.00E+00 0.00E+00 Si 31 9.44E+03 3.55E+01 6.23E-02 1.82E-18 7.53E-82 1.60E-164 3.39E-247 0.00E+00 0.00E+00 0.00E+00 0.00E+00 Si 32 4.17E+09 6.60E-03 6.60E-03 6.60E-03 6.60E-03 6.60E-03 6.60E-03 6.59E-03 6.57E-03 6.50E-03 6.27E-03
• Detailed listing of radionuclide inventory by
required for realistic beam conditions.• We are close to the activity limit of the transport
cask and of the disposal site. We need good tools to predict activation related
quantities.
5 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
What do we calculate?
mkmk
kmmmm tNYtNdt
tdN
)()(
)(
Decay constants
mamm
mkmkmk
Material compositionFlux
Activation cross sections Isotope production/destruction from event generators
6 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Tools for Activation Analyses
• Transport codes• Activation codes
7 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Modular Approach
Particle Tracking
by Event Generator
Inelastic Reactions
by Cross Sections
Particle emissionn,β-,β+,γ,α
Tra
nspo
rt c
ode
Fluxesn,p,d,t,He-3,α,γ Residual Production Materials
Act
ivat
ion
Ana
lysi
s
Irradiation History
Decay database
Activation Cross Sections
Decay Spectra:n,β-,β+,γ,αRadionuclide Inventory by time
8 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
All-In-One-Code Approach
Particle Tracking
by Event Generator
Inelastic Reactions
by Cross Sections
Residual Nucleus
Decay
StableUnstable
Particle emissionn,β-,β+,γ,α
Tra
nspo
rt c
ode
9 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Comparison of Approaches
All-in-one-code Modular
Pros •Decay emissions at reaction-site or position of tracked decaying ion•Proper analysis of statistical errors•Conservation of correlations on per particle basis
•Deterministic analysis gives full inventories•Allows for material depletion•Decay source terms for subsequent analyses
Cons •Large memory footprint •No statistical errors•Lost correlations•Region averaged decay sources
10 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
FLUKA-2008 (Ferrari, Fasso, Sala …)
• Reaction models: Gribov-Glauber, GINC, PE, evaporation, …• Multigroup low-energy neutron transport• Radionuclide formation:
– For many materials, but not for all, group-dependent information on the residual nuclei produced by low-energy neutron interactions is available in the FLUKA libraries. This information can be used to score residual nuclei, but it is important that the user check its availability before requesting scoring.
– Fission fragments are sampled separately, using evaluated data extracted from European, American and Japanese databases.
• Scoring of decay radiation, and residual nuclei– for requested decay time step– semi-analog
11 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
MCNPX_2.6.0 (McKinney, Hendricks …)
• Reaction models: CEM-03, LAQGSM, INCL,Isabel, Bertini, MPM, ABLA, EVAP …• Continuous energy cross section based low-energy neutron and proton transport• The depletion/burnup capability for reactor applications is implemented based on
CINDER90, and MONTEBURNS. • Charged ions from neutron capture:“neutron capture ion algorithm”: He-3, Li-6, B-10• MCNPX enables the automated calculation of delayed-gamma signatures emitted due to
– the decay of radioactive fission products created by neutron fission or photofission, – residual nuclides created by simple multi-particle interactions (SMRs).
The delayed-gamma capability uses CINDER90. Execution of the delayed gamma capability is limited to fixed sources (SDEF) and
surface sources (SSW, SSR). • Residual nuclei (from event generators only) are tallied:
– By region thru history tape and post-processing with HTAPE3 utility– Overall thru tally f8:n +ft res– With heavy-ion transport with f4:# +ft4 res zzaaa1 zzaaa2 …
12 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
The MCNPX Approach to more detailed Information
• A multitude of tasks of preparing and performing activation analyses
• Activation script does a complete activation calculation (multi-cell) with one user supplied input file minimizing the information needed
• Gamma Source Script prepares MCNPX source deck from decay gamma sources
MCNPX
Activation Script:read material compositionread fluxes E < 20/25 MeV
prepare/read H-E production anddestruction rates
mcnpx_inp
outp histp
CINDER’90 ORIHET-3 SP-FISPACT
activation_inp
Cinder90_out Orihet3_out Fispact_out
Gamma Source Script:cell identities and volumes
gamma spectra
gamma_source_inp MCNPX_sdef
MCNPX
dose rates
mcnpx_inp
MCNPX
Activation Script:read material compositionread fluxes E < 20/25 MeV
prepare/read H-E production anddestruction rates
mcnpx_inp
outp histp
CINDER’90 ORIHET-3 SP-FISPACT
activation_inp
Cinder90_out Orihet3_out Fispact_out
Gamma Source Script:cell identities and volumes
gamma spectra
gamma_source_inp MCNPX_sdef
MCNPX
dose rates
mcnpx_inp
13 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
GEANT4
Reaction models: Parton-String, G4Bertini, G4BinaryCascade, Abration-Ablation, INCL4.2+ABLA3, PC, Evaproation …
Continuous-energy low-E neutron transportRadioactive Decay - The radioactive decay module G4RadioactiveDecay and
associated classes are used to simulate the decay of radioactive nuclei by α, β+, and β¡ emission and by electron capture (EC).
The simulation model is empirical and data-driven, and uses the Evaluated Nuclear Structure Data File (ENSDF) for information on: nuclear half-lives, nuclear level structure for the parent or daughter nuclide, decay branching ratios, and the energy of the decay process.
If the daughter of a nuclear decay is an excited isomer, its prompt nuclear de-excitation is treated using the G4PhotoEvaporation class.
Sampling:Sampling of the β-spectrum, which includes the coordinated energies and
momenta of the β, ν, and residual nucleus, is performed either from histogrammed data, or through a three-body decay algorithm.
The manual did not tell me, if GEANT4 considers radionuclide production in high-precision low-energy neutron processes.
14 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
MARS15 (Mokhov, Rakhno, James …)
Reaction model: Inclusive phenomenological model, DPMJET3, CEM03, LAQGSM
MCNP low-E neutron transportBesides the straight forward
approach of following the radionuclide production in the spallation and neutron-induced activation, MARS offers an approximate solution to activation problems -the ω-factor approach – to arrive at residual dose rates.
ω-factors correlate residual dose-rates to star-densities (reaction rates above 20 MeV).
This does not work for calculating radionuclide information.
Curtesy: M. Huhtinen, CERN/TIS-RP/IR/98-28 (1998).
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PHITS (Niita, Iwase …)
JAM, JQMD, Bertini
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CINDER (Holloway, Wilson …)
CINDER90 released version:• Solves coupled buildup- and decay equations • Considers material destruction in balance equations• Database contains decay data and activation cross sections,
decay gamma spectra for 3400 isotopes • Neutron activation cross sections in 63 energy groups up to
20 MeV• Decay gamma structure fixed to 25 groups• Tabulating of CINDER90 results with TABCODE• Merging of results of different CINDER90 calculations by
ALLCODE
Towards CINDER-2008 package:• Improvement of mathematical algorithms• Update neutron activation cross sections (ENDF/B-VII, JEFF-
3x, JENDL) in 65 group structure• Update of decay database to 4113 nuclides (ENDF/B-VII.0,
EAF-2007, JEFF-3.11)• Photonuclear library in preparation
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DCHAIN-SP 2001 (Kai, Maekawa, Kosako, Kasugai, Takada, Ikeda)
Present Version:• Developed from DCHAIN-2 code at JAEA • Decay library with 3139 nuclides, EAF-3.1, FENDL/D-2, ENSDF• Neutron activation cross sections in 175 groups from FENDL/A-2,
JENDL-AC96, JENDL-3.3• Decay Gamma lines from ENSDF, one line per nuclide (averaged
gamma energy)• Revised 65 partial activation cross sections to match better
experimental dataUpdates underway:• Improved neutron activation cross sections from JEFF-3.1A in
1968 groups improves contributions from resonance region
18 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
EASY-2007 (Forrest, Kopecky, Sublet)
EASY-2007 is the activation package of the fusion community.• Includes FISPACT-2007 activation code,• Uses EAF-2007 decay data (2233 nuclides) and cross
sections(n,p,d) for 800+ nuclides to 60 MeV• Package provides multi-group cross section libraries in various
group structures (69-351)and collapsed with flat, fission, and fusion spectra
• FISPACT-2007 can give uncertainties due to cross sections and decay constants (not yet due to input flux statistical errors)
• Contains the SAFEPAQ-II tool for processing and evaluating activation cross sections
Updates:• EAF-2010 libraries on the way• Heard rumors that FISPACT-2010 may be able to handle user-
provided radionuclide production rates extension to spallation products.
19 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
ORIHET3 (Atchison, Schaal - no longer developed)
• Decay databases:– NUBASEX built from NUBASE 3738 nuclides and uses more
than 40 decay modes – Original ORIHET data for 2456 nuclides and recognises 7
decay modes • Gamma library:
Darmstadt Gamma-ray atlas: 30752 gamma lines and intensities for 1275 nuclides
• No beta library• Requires radionuclide production rates as input
20 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Other Activation Tools
• ALARA (Paul Wilson, U. Wisconsin)• DeTra (Aarnio, CERN)• …
21 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Activation Data
• Decay databases• Activation cross section libraries
22 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
Decay Databases
Database Number of isotopes
Origin of data
ENDF/B-VII 3838 ENSDF, Nuclear Wallet Cards
EAF-2010(includes spin and uncertainties)
2233 ENSDF, NUBASE, JEF2.2, JEFF-3.1.1, Browne and Firestone, Nuclear Wallet Cards
JEFF-3.1.1 3852 NUBASE, ENSDF, LNHB, UKHEDD-2.x, UKPADD-6.x
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High-energy Neutron Induced Activation Cross Section Databases
Library Number of Isotopes
Z Range Upper Energy
EAF-2007 816 1-100 60 MeV
JENDL/HE-2007 106 1-95 3 GeV
JEFF-3.1/A 774 1-100 20 MeV
MENDL-2 505 13-84 100 MeV
TENDL-2009 2375 6-110 200 MeV
IEAF-2009 682 1-84 1 GeV
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High-energy Proton Induced Activation Cross Section Databases
Library Number of Isotopes
Z Range Upper Energy
EAF-2007 810 1-100 60 MeV
PADF-2007 2355 12-88 150 MeV
JENDL/HE-2007 106 1-95 3 GeV
JEFF-3.1 26 20-83 200 MeV
TENDL-2009 2375 6-110 200 MeV
HEPAD-2008 682 1-84 1 GeV
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High-energy Activation Cross Section Databases
Library Incident Particles
Procedure of Generation
PADF-2007 p TALYS, ALICE/ASH, EXFOR
HEAD-2009 (IEAF-2009+HEPAD-2009)
p,n (Bertini,Isabel,INCL)*(Dresner,ABLA)CASCADE, CEM03, EXFOR global
TENDL-2009 p,n,d,t,he3,α TALYS (default and adjusted)Validated for integral isotope prod. xs
EAF-2007 p,n,d EXFOR+TALYS+IEAF+ALICE…evaluated
JENDL/HE-2007 p,n ENDF/B-6+GNASH+ALICE-F +JAM/GEM+JQMD/GEM
JEFF-3.1 p,n For neutrons EAF-2003 reformattedFor protons TALYS
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Benchmarking
• Microscopic benchmarking – of Spallation Models (CEM, INCL, JAM, CASCADE, QMD,
DPMJET, …)– Precompound nuclear reaction models
• Macroscopic benchmarking – through application type quanitities (decay heat, residual
dose rates, foil activation)– Measured integral production cross sections
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IAEA Spallation Physics Benchmark – Radionuclide Production
Isotope distributions by inverse kinematic experiments
Mass and Charge distributions by inverse kinematic experiments
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Examples: Mass Production
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Uncertainty in activation cross-section calculations –A. Yu. Konobeyev et al., Kerntechnik 73, 2008
(p,x) E=0-150MeV
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Benchmarking of isotope production in mixed energy and mixed particle fields
• Typically libraries like EAF and TENDL are validated to a collection of experimental integral production cross sections– J. Kopecky, VALIDATION OF TENDL2009 USING INTEGRAL
MEASUREMENTS,JUKO Research, EAFDoc54, Feb 2010
– RA Forrest et al., Validation of EASY-2007 using integral measurements, UKAEA FUS 547, EURATOM/UKAEA Fusion, April 2008
• Many other examples in proceedings of SATIF-x, ARIA2008, AccApp’xx, ICRS-xx, …
31 Managed by UT-Battellefor the U.S. Department of Energy CERN - SATIF-2010
How to improve Activation Analyses?
• Continue improving reaction models and benchmarking• make use of cross section data bases extended to
intermediate-energy• multi-group formalism and its limitations need to be
addressed• Waiting for gamma-activation cross section library• Uncertainty analysis is in development in FISPACT, can
it be adopted in other activation codes? Correct formalism needs bulky covariance matrices.