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

Tungsten transmutation with EASY-II

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Iron transmutation with EASY-II

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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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