easy-ii (13) - ccfe - culham centre for fusion energy uncertainty nxs particles spectra ... iron...
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CCFE is the fusion research arm of the United Kingdom Atomic Energy Authority
EASY-II (13) “renaissance”
Jean-Christophe C. Sublet, James W. Eastwood*, J. Guy Morgan*
and Mark R. Gilbert
United Kingdom Atomic Energy Authority, *Culham Electromagnetics Ltd
Culham Science Centre Abingdon, OX14 3DB
United Kingdom
EASY-2010 & 2007
• The earlier code has been distributed to around 150 different establishments, ~600 users in 28 countries around the world
• This is not including a handful of commercial licenses • It has now been made freely & publicly available since
December 2011 through the nuclear data centre:
http://www.oecd-nea.org/tools/abstract/detail/NEA-1564/ http://www-rsicc.ornl.gov/codes/ccc/ccc7/ccc-735.html/
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EASY-II framework • FISPACT-II is a modern engineering prediction tool for
activation-transmutation, depletion inventories at the heart of the EASY-II system that relies on the n-TAL collaboration to provide the nuclear data libraries.
• FISPACT-II was designed to be a functional replacement for the code FISPACT-2007 but now includes enhanced capabilities.
• α, γ, d, p, n-Transport Activation Library: TENDL-2012 from the TENDL collaboration, but also ENDF/B, JENDL, JEFF
• All nuclear data processing is handled by NJOY (LANL), PREPRO (LLNL), and CALENDF (CEA-CCFE)
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Development history (2009 - 2013) • Phase I (06-2006 – 03-2007)
ODE solver selection, pre-programming þ
• Phase II (03-2009 – 03-2010) Release 0-20 alpha, 1-00 alpha, EASY-2010 benchmarking, CVS repository, software specification documents þ
• Phase III (06-2010 – 09-2011) FISPACT-II(12) 1.00, User manual, EAF-2010 full integration,
PT’s self shielding factor method, CCFE internal distribution þ
• Phase IV (10-2011 – 03-2012) EASY-II(12) R-2.00 first release þ
• Phase V (06-2012 – 06-2013) V&V suites, EASY-II(13) R-2.10 release þ
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FISPACT-II versus FISPACT-2007
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FISPACT-II FISPACT-2007 Solver Numerical - LSODES 2003 Numerical - EXTRA 1976 Incident particles α, γ, d, p, n (5) d, p, n (3)
EAF’s libraries ✔ XS data (816 targets) ✔ Decay Data (2233 isotopes)
✔ XS data (816 targets) ✔ Decay Data (2233 isotopes)
ENDF’s libraries ✔ XS data (2429 targets) ✔ Decay data (3873 isotopes)
✗
Dpa, Kerma, Gas prod., radionuclide yields ✔ ✗ (Gas production)
Uncertainty ✔ Variance-covariance ✔ 1 to 3 broad groups Temperature 0, 294, 600, 900 K,…30 KeV 294 K
Self-shielding ✔ Resolved and Unresolved Resonance Range
✗ infinitely dilute cross section
Energy range 1.0 10-5 eV – 1 GeV 1.0 10-5 eV - 55 MeV Sensitivity ✔ Monte Carlo ✔ sensitivity coefficient Pathways ✔ multi steps ✔ single step Thin, thick targets ✔ ✗
EASY-II features: FISPACT-II with ENDF’s libraries
• Large number of targets: 2429 from H1 to Ds281 (Darmstadium, mass 110) • Broad energy range: 1.0 10-5 eV – 1 GeV • Five incident particles: α, γ, d, p, n
• Covariance information on neutron entrance channels, uncertainty • Pathways analysis, production routes, dominant contributors • Self-shielding effects: channel, isotopic, elemental
• Sensitivity analysis, (Monte Carlo) • Isomeric states and branching ratio (g, m, n, o, p, ….) • Consistent decay data and cross section data: energy levels
• Transport A2, clearance, inhalation and ingestion indices • DPA, Kerma (primary and secondary), gas and radionuclide production
• Temperatures: 0, 294, 600, 900 K,… and stellar 30 keV • Thin, thick target yields • V&V suites: fusion, fission, accelerator, astrophysics,..
For all nuclear applications 6
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Processing steps • NJOY-99.396
• reconr • broadr • unresr • thermr • heatr • gaspr
• purr • groupr • acer
• PREPRO-2012 • linear • recent • sigma1 • sixpack • activate • merger • dictin • groupie
• CALENDF-2010 • calendf • regroutp • lecritp • ….
PT file
ENDF file ACE file
cross-check
cross-check
Single script for all TENDL files
EASY-II TENDL’s libraries – 1 GeV • n-tendl-2012 (2011), multi temperature, 709 group
library; 2434 targets ü full set of covariance ü probability tables in the RRR and URR ü xs, dpa, kerma, gas, radionuclide production
• γ-tendl-2012, 162 xs group library, 2430 targets • p-tendl-2012, 162 xs group library, 2429 targets • d-tendl-2012, 162 xs group library, 2428 targets • α-tendl-2012, 162 xs group library, 2429 targets
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EASY-II other libraries ü Decay-2012, 3873 isotopes (23 decay modes; 7
single and 16 multi-particle ones) ü Ingestion and inhalation, clearance and transport
indices libraries, 3873 isotopes ü JEFF-3.1, UKFY4.2 fission yields
ü EAF-2010 decay data: 2233 isotopes ü EAF-2010 ingestion and inhalation, clearance and
transport indices libraries, 2233 isotopes ü EAF-2003 libraries; 293K, 774 targets (20 MeV) ü EAF-2007 libraries; 293K, 816 targets (55 MeV) ü EAF-2010 libraries; 293K, 816 targets (55 MeV) ü EAF’s uncertainty files
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EASY-II &TENDL-2012
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TENDL
pXS
Fission
Yield
ʺFY
Radioactivity
Number
density
sFY
ʸXS
dXS
ʺXS
Covariance
Dpa Kerma
Probability
table
Temperature
JENDL
JEFF
ENDF/B
Half-lifeDecay
scheme
energy
Absorption
data
Clearance
index
Transport
A2
Inhalation
indices
Ingestion
indices
Decay
23 modes
pFY
Prompt
& decay
heat
Dose
rates
ʸ, ʹ
and ʺ energies
Inhalation
Ingestion
Transport
clearance
indices
Dpa,
Kerma
gas appm
Inventory
+ UQ
CPS13.1028
Independant
nFY
Cumulative
Probability
tableUncertainty
nXS
Particles
spectra
Irradiation
conditions
Material
FISPACT-II
EASY-II (13) roadmap ① FISPACT-2007+ & EAF-2010 in EAF format processed by SAFEPAQ-II
þ 08/2010 ② FISPACT-II (11) & EAF-2010 in EAF format processed by SAFEPAQ-II
þ 01/2011 ③ FISPACT-II (11) & EAF-2010 + CALENDF PT’s ssf method, ENDF’s
format and processing framework þ 09/2011 ④ EASY-II (12) = FISPACT-II(12) & EAF’s and TENDL-2011
ENDF’s libraries processed by NJOY, PREPRO & CALENDF þ 03/2012
⑤ EASY-II (13) = FISPACT-II & EAF’s and TENDL’s V&V
libraries processed by NJOY, PREPRO & CALENDF þ 06/2013
Vigilant, thorough V&V stepped approach 11
Verifications and Validations • With TENDL-2012(2011), the NRG libraries have entered the
secluded world of criticality benchmarking – superseding the unfortunately terminated EAF libraries
• TENDL-2012 uniquely contains covariance information • TENDL-2012 provides for all applications: transport, burn-up,
inventory, transmutation, dosimetry, astrophysics,… • TENDL-2012 has fully benefited from TENDL-2008, 2009,
2010, 2011, EAF’s V&V and the T6 technological construction framework
• n-TENDL-2012 evaluated nuclear data libraries already outwit in many aspects the regional majors: ENDF, JENDL, JEFF,..
• However, low z isotopes still will need to come from R-matrix theory and the actinides from carefully nurtured TALYS model
TENDL-2012: reliable, V&V libraries for all applications 14
(n,p) for Final
Max
cro
ss s
ectio
n (b
)
Asymmetry (s)
1E-03
1E+01
1E-02
1E-01
1E+00
0.00 0.05 0.10 0.15 0.20 0.25
Integral C/E for Fe-54(n,p)Mn-54
C/E
Neutron Spectrum
C/E = 0.9504
C/E = 1.0436
C/E = 0.9722
C/E = 1.0833
C/E = 0.9669C/E = 0.9422
C/E = 1.0302
C/E = 0.9926C/E = 0.9949
C/E = 1.1032C/E = 1.1150
C/E = 1.1645
C/E = 0.9806
C/E = 1.0208C/E = 1.0569
C/E = 1.2776
1.10
0.91
0.70
0.90
1.10
1.30
1.50
sneg_2 fng_f82h.asc cf252_flux_1 cf252_flux_1 cf252_flux_1 fzk_ss316 fng_vanad.asc rez_DFsneg_1 fzk_2 fns_7hour cf252_flux_1 cf252_flux_1 fzk_ss316 fzk_1 fng_eurofer.asc
Y-89(n,2n)Y-88
Final
Cros
s sec
tion (
b)
Energy (eV)
0.0E+00
3.0E-01
6.0E-01
9.0E-01
1.2E+00
1.5E+00
1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07
SystmPAT79RI 99KGU00LAS75KYU79MOH84ANL87BRC81LAS75KOS81FEI89FEI89SAV98BRC02RI 99LAS75AUB76JAE93LAS77AEP89
Validation: SACS
V&V, C/E integral and differential with uncertainty
• 2434 targets (H1 to Ds281) • Cross section, 90 reaction types
• Decay data: 3873 nuclides; 24 types • Stables and isomeric states; g, m, n, o,..
α, γ, n, p, d-TENDL-2012
(2011)
UKFY-4.2 Decay-2012
Indices
Covariance ENDF/B, JENDL, JEFF
x3 / EAF x 1.7 / EAF
EASY-II &TENDL-2012 (2011)
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(n,p) for Final
Max
cro
ss s
ectio
n (b
)
Asymmetry (s)
1E-03
1E+01
1E-02
1E-01
1E+00
0.00 0.05 0.10 0.15 0.20 0.25
Integral C/E for Fe-54(n,p)Mn-54
C/E
Neutron Spectrum
C/E = 0.9504
C/E = 1.0436
C/E = 0.9722
C/E = 1.0833
C/E = 0.9669C/E = 0.9422
C/E = 1.0302
C/E = 0.9926C/E = 0.9949
C/E = 1.1032C/E = 1.1150
C/E = 1.1645
C/E = 0.9806
C/E = 1.0208C/E = 1.0569
C/E = 1.2776
1.10
0.91
0.70
0.90
1.10
1.30
1.50
sneg_2 fng_f82h.asc cf252_flux_1 cf252_flux_1 cf252_flux_1 fzk_ss316 fng_vanad.asc rez_DFsneg_1 fzk_2 fns_7hour cf252_flux_1 cf252_flux_1 fzk_ss316 fzk_1 fng_eurofer.asc
Y-89(n,2n)Y-88
Final
Cros
s sec
tion (
b)
Energy (eV)
0.0E+00
3.0E-01
6.0E-01
9.0E-01
1.2E+00
1.5E+00
1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07
SystmPAT79RI 99KGU00LAS75KYU79MOH84ANL87BRC81LAS75KOS81FEI89FEI89SAV98BRC02RI 99LAS75AUB76JAE93LAS77AEP89
Validation: SACS Validation: C/E
Cross sections
• 816 targets (H-1 to Fm-257) • 86 reaction types
• 2,233 nuclides • Stables and isomeric states (T½ > 1s)
Decay data
EAF-2010
5096 important reactions
2265 major reactions
1728 reactions with any experimental data
66256 neutron induced reactions
470 reactions with integral data
EASY-II & EAF-2010 libraries
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EASY-II (13) package 1. The directory /doc containing user documentation. The report CCFE-
R(11)11; the FISPACT-II User Manual and the V&V reports 2. The directory /fispact containing the FISPACT-II software. Its
directory structure is as follows: 1. /exec - directory containing prebuilt executables (g95, gfortran, ifort,
pgfortran, oracle) • Linux - directory containing Linux executables (8) • Mac-OSX - directory containing Mac OS X executables (3) • Unix-Sparc - directory containing Sparc executables (1) • Unix-x86 - directory containing X86 executables (1) • Windows - directory containing Windows executables (6)
2. /source - software source directory • build - directory for building an executable using make • build_win - directory for building an executable using a windows batch file • config - directory for configuration files • f77 - directory for Fortran 77 source • f90 - directory for Fortran 95 source 57,968 lines of code
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EASY-II (13) package 3. The software test data directories: 439 test cases
/getting_started - Tutorial examples described in the User Manual /fispQA - Validation tests for FISPACT-II using ENDF format nuclear data /fispQA2011 - Validation tests for FISPACT-II using ENDF format nuclear data /fispQA2010 - Validation tests for FISPACT-II using EAF format nuclear data /fispQA2007 - Validation tests for FISPACT-II using EAF format nuclear data and old style input files
4. The nuclear data directories:
/ENDFdata - TENDL-2012, -2011 libraries and ENDF version of EAF 2010 data (25 Gb) /EAF2003data – EAF 2003 library data /EAF2010data - EAF 2010 library data /EAF2007data - EAF 2007 library data
Total ~28 Gb (6.6 Gb compressed, fits on DL DVD)
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EASY-II (13)
21st century multi-particle inventory code package for stockpile and fuel cycle stewardship, materials characterization and life cycle management for:
• Magnetic and inertial confinement fusion • Fission Gen II, III+, IV plants • High energy and accelerator physics • Medical applications, isotope production • Earth exploration, Astrophysics • Homeland security
http://www.ccfe.ac.uk/EASY.aspx
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Roadmap : 2 years program
• Enhanced physics § Unified Monte-Carlo sampling distributions § Charged particle induced and spontaneous fissions § Residual and emitted particle spectra for material science § Monte Carlo using covariance input data
• Coding improvements § Multi projectile irradiation § Fast library loading § Multi-threading
• Extended data libraries • Automated Verification and Validation processes
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Simulation in space, energy and time
MCNP6 US
TRIPOLI EU
TART US
ORIGEN US
EASY-II EU
ACAB EU
Interfaces
Boltzmann equation Bateman equation (t-dependence of inventories)
Number densities (tn ) Mass densities ( tn ) Particle prompt spectra Point-wise reaction rates Elastic & inelastic reaction rates
Number densities (tn+Δt) Mass densities (tn+Δt) Secondary, decay spectra - gamma, beta, alpha Number density control - removal, homogenisation, virtual cells, irradiation conditions
Carousels Carousels
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