TENDL for FENDL

Arjan Koning

NRG Petten, The Netherlands

FENDL-3 meeting

December 6-9, 2011, IAEA, Vienna

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Contents

• AK’s conclusions from previous FENDL meeting • TALYS-based libraries in FENDL-3• Some recent TALYS developments• Examples for neutrons• Examples for protons and deuterons• A glimpse into the future• Conclusions

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Conclusions from previous FENDL meeting (AK)We are approaching the situation in which the production of a complete

ENDF-6 file is standard, quality assured and reproducible. When this is indeed accomplished, the main challenges are:• Better physics models and parameterization of the nuclear models• Selecting and measuring good experimental dataNext, computer power does the rest

NRG offers TENDL to FENDL• To fill gaps in the fusion material chart• To adopt covariance data, for transport and activation libraries• To adopt high-energy data• To adopt complete proton and deuteron libraries• To adopt entire or parts of neutron libraries whenever the FENDL group

thinks that is appropriate

and only requests feedback in return.

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Other people using TALYS (publications)

TALYS additions in 2010-2011

• New phenomenological break-up model from Connie Kalbach (FENDL-3 report 2010)

• More alpha OMP’s (e.g. Demetriou-Goriely double-folding)

• More deuteron OMP’s (Y. Han, Haixia An, etc.)

• Extended flexibility for level densities (choice of level density model per nucleus)

• Generation of URR parameters (collaboration with Gilles Noguere, CEA/CAD)

• Calculation of effective cross sections for integral activation measurements.

• Small bug fixes and addition of input flexibility

TALYS-1.4: release december 2011.

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TALYS Evaluated Nuclear Data Library: TENDL-2011

• Neutron, proton, deuteron, triton, Helium-3, alpha and gamma libraries: ENDF-6 format and x-y tables

• 2430 targets (all with lifetime > 1 sec.)• Neutron library: complete covariance data • For all nuclides processed MCNP-libraries (“ACE-files”) (n,p and

d), PENDF files and processed multi-group covariances (neutrons only)

Strategy:• Always ensure completeness, global improvement in 2011, 2012,

… Production time: 2 months for 150 processors• Extra effort for important nuclides, especially when high precision

is required (e.g. actinides): Fitted model calculations and direct inclusion of experimental/evaluated data. Keep the input files.

• All libraries are always reproducible from scratch• All libraries based on compact reaction info: default TALYS

input file or input file with adjusted parameters, parameter uncertainties, resonance parameters + uncertainties, “rescue” file with adoption from other libraries

• www.talys.eu

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Typical calculation times

Numbers based on a single Intel Xeon X5472 3.0 GhZ processor

Time needed to get all cross sections, level densities, spectra, angular distributions. gamma production etc.:

• 14 MeV neutron on non-deformed target: 3 sec.

• 60 incident energies between 0 and 20 MeV:

1 min. (Al-27) to 4 min. (Pb-208) to 10 min. (U-238)

• 100 incident energies between 0 and 200 MeV:

20 min. (Al-27) to 3 hours (U-238)

• To obtain credible Monte Carlo based covariance data: multiply the above numbers by 50-500.

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Neutronics, activation and nuclear data for fusion

Monte Carlo calculational procedure specifically suitable for ITER/IFMIF/DEMO neutronics analyses

Many relevant parameters can be determined:

- Neutron flux distributions

- Gamma flux distributions

- Radiation dose in optical fibers + required shielding

- Dose rates in port cell

- Nuclear heating

- Other relevant response parameters

Activation issues:

- activity, radiotoxicity, gamma dose rate, decay heat

Complete and good quality transport and activation data libraries are essential for a full simulation of all these effects.

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TENDL: Complete ENDF-6 data libraries

MF1: description and average fission quantitiesMF2: resonance dataMF3: cross sectionsMF4: angular distributionsMF5: energy spectraMF6: double-differential spectra, particle yields and residual productsMF8-10: isomeric cross sections and residual production c.s. (2012)MF12-15: gamma yields, spectra and angular distributionsMF31: covariances of average fission quantities)MF32: covariances of resonance parametersMF33: covariances of cross sectionsMF34: covariances of angular distributionsMF35: covariances of fission neutron spectra and particle spectra

(2012?)MF40: covariances of isomeric data + residual prod. c.s. (2012)

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Relative importance of regions of ITER

upper port plug

Contributions of:

equatorial port plug divertor port plug

neutron flux distributions

MCNP calculations (A. Hogenbirk, NRG)

TALYS-based libraries in FENDL-3

• FENDL-3: a total of 180 neutron libraries, of which 40 are TALYS-based.

• NRG-evaluations (2005):• Sc-45, Fe-58, Ge-70,72,73,74,76• Pb-204,206,207,208, Bi-209

• TENDL-2010:• C-13, O-17,18• P-31, S-32,33,34,36, K-39,40,41• La-138,139, Lu-175,176• Re-185,187, Pt-190,192,194,195,196,198

• KIT (2010):• Cr-50,52,53,54

• CEA-CAD (2005):• I-127

+ many extensions up to 200 MeV + covariance data+ proton and deuteron libraries

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TENDL proton and deuteron libraries

• In ENDF-6 format (transport) and EAF (activation) format• 2430 nuclides (all with lifetime > 1 sec.) up to 200 MeV• For all nuclides we have processed MCNP-libraries (ACE files)• Safe formatting (i.e. equal to LA-150p = ENDF/B-VIIp):

• MF3/MT2• MF3/MT5• MF6/MT2• MF6/MT5

Applied (fusion) codes:• MCNPX can use proton data libraries for transport• MCUNED can use deuteron data libraries for transport• FISPACT-II can use proton and deuteron data libraries for

activation

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Quality of proton data (EXFOR vs MCNPX, A. Konobeyev, KIT)

ENDF/B-VII-p (LA-150): 30-40 nuclides TENDL-2011: 2430 nuclides

(Chi-2)

(< C/E >)

(H x F)

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Isomeric ratio is essential: about 0.22!

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TENDL (=FENDL) deuteron DDX data

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0 10 20 30

1E-6

1E-4

1E-6

1E-4

1E-6

1E-4

1E-6

1E-4

1E-6

1E-4

=135º

En(MeV)

=75º

=45º

n/d/

MeV

/sr

=15º

=0º

MCUNED-Tendl09 K.Shin etal.

P. Sauvan et al, ND-2010:

MCUNED-code

New Kalbach systematics for deuteron break-upangular distributions not yetimplemented in TALYS (foreseenfor 2010).

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A glimpse into the future: Automatic optimization

• Analyze isotope in depth with TALYS (parameter fitting) and adopt resonance parameters

• Assign realistic uncertainties to all data• Create > 1000 random data libraries inside these uncertainties• Benchmark them all against all integral experiments containing

the isotope• Take the best random library and promote that one to the best

file (including covariance data)

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ResonanceParameters

.TARES

Experimental data

(EXFOR)

Nucl. model parameters TALYS

TEFAL

Output

Output

ENDFGen. purpose

file

ENDF/EAFActiv. file

NJOY

PROC.CODE

MCNP

FIS-PACT

Nuclear data scheme: Total Monte Carlo

-K-eff

-Neutron flux

-Etc.

- activation

- transmutation

Determ.code

Othercodes

+Uncertainties

+Uncertainties

+Covariances

+Covariances

TASMAN Monte Carlo: 1000 runs of all codes

Random libraries vs integral exps.

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Best Cu-63,65 file vs crititcality exps

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Best Cu63,65 file vs Oktavian

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Best Cu-65 file: differential performance

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Oktavian for Co

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D. Rochman, A.J. Koning and S.C. van der Marck, ``Exact nuclear data uncertainty propagation for fusion design'', Fusion Engineering and Design 85, 669-682 (2010)

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Conclusions

TENDL for FENDL:•Proton libraries: Complete, versus 30 nuclides in ENDF/B-VII (JENDL/HE?)•Deuteron libraries: the only one existing, requires testing in MCUNED (MCNPX++)•Protons and deuterons can be handled by FISPACT-II•Neutron libraries with TALYS + TENDL

- Materials which are well evaluated (Sc, Cr, Fe, Ge, Pb, Bi), or are old/non-existing in other libraries (C-13, O-17,18, P, S, K, Lu, Re, Pt)

- Complete covariance data adopted as shadow library- Extension up to 200 MeV adopted