1. TENDL for FENDL Arjan Koning NRG Petten, The Netherlands FENDL-3 meeting December 6-9, 2011, IAEA, Vienna

2. 2 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

3. 3 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 data Next, 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.

4. 4 Other people using TALYS (publications)

5. 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. 5

6. 6 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

7. 7 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.

8. 8 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.

9. 9 TENDL: Complete ENDF-6 data libraries MF1: description and average fission quantities MF2: resonance data MF3: cross sections MF4: angular distributions MF5: energy spectra MF6: double-differential spectra, particle yields and residual products MF8-10: isomeric cross sections and residual production c.s. (2012) MF12-15: gamma yields, spectra and angular distributions MF31: covariances of average fission quantities) MF32: covariances of resonance parameters MF33: covariances of cross sections MF34: covariances of angular distributions MF35: covariances of fission neutron spectra and particle spectra (2012?) MF40: covariances of isomeric data + residual prod. c.s. (2012)

10. 10 Relative importance of regions of ITER upper port plug Contributions of: equatorial port plugdivertor port plug neutron flux distributions MCNP calculations (A. Hogenbirk, NRG)

11. 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 11

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13. 13 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

14. 14 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) ( ) (H x F)

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16. 16 Isomeric ratio is essential: about 0.22!

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18. TENDL (=FENDL) deuteron DDX data 18 P. Sauvan et al, ND-2010: MCUNED-code New Kalbach systematics for deuteron break-up angular distributions not yet implemented in TALYS (foreseen for 2010).

19. 19 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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21. 21 Resonance Parameters. TARES Experimental data (EXFOR) Nucl. model parameters TALYS TEFAL Output ENDF Gen. purpose file ENDF/EAF Activ. file NJOY PROC. CODE MCNP FIS- PACT Nuclear data scheme: Total Monte Carlo -K-eff -Neutron flux -Etc. - activation - transmutation Determ. code Other codes +Uncertainties +Covariances TASMAN Monte Carlo: 1000 runs of all codes

22. Random libraries vs integral exps. 22

23. Best Cu-63,65 file vs crititcality exps 23

24. Best Cu63,65 file vs Oktavian 24

25. Best Cu-65 file: differential performance 25

26. 26 Oktavian for Co

27. 27 D. Rochman, A.J. Koning and S.C. van der Marck, ``Exact nuclear data uncertainty propagation for fusion design''``Exact nuclear data uncertainty propagation for fusion design'', Fusion Engineering and Design 85, 669-682 (2010)

28. 28 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