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TENDL for FENDL

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

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TENDL for FENDL

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

  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. 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. 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.

  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. 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. 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. 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. Relative importance of regions of ITER neutron flux distributions Contributions of: upper port plug equatorial port plug divertor port plug 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

  12. TENDL proton and deuteron libraries • In ENDF-6 format (transport) and EAF (activation) format • 2430 nuclides (allwithlifetime > 1 sec.) up to 200 MeV • For allnuclides 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 canuse proton data librariesfor transport • MCUNED can use deuteron data libraries for transport • FISPACT-II can use proton and deuteron data libraries for activation

  13. Quality of proton data (EXFOR vs MCNPX, A. Konobeyev, KIT) (Chi-2) (< C/E >) (H x F) ENDF/B-VII-p (LA-150): 30-40 nuclides TENDL-2011: 2430 nuclides

  14. Isomeric ratio is essential: about 0.22!

  15. TENDL (=FENDL) deuteron DDX data 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).

  16. 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)

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

  18. Random libraries vs integral exps.

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

  20. Best Cu63,65 file vs Oktavian

  21. Best Cu-65 file: differential performance

  22. Oktavian for Co

  23. 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)

  24. Conclusions • TENDL for FENDL: • Proton libraries: Complete, versus 30 nuclides in ENDF/B-VII (JENDL/HE?) • Deuteron libraries: the onlyoneexisting, requirestesting in MCUNED (MCNPX++) • Protons and deuterons can be handled by FISPACT-II • Neutron librarieswith TALYS + TENDL • Materialswhich are well evaluated (Sc, Cr, Fe, Ge, Pb, Bi), or are old/non-existing in otherlibraries (C-13, O-17,18, P, S, K, Lu, Re, Pt) • Complete covariance data adopted as shadowlibrary • Extension up to 200 MeVadopted

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