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2. General overview of TALYS

2. General overview of TALYS. Prof. Dr. A.J. (Arjan) Koning 1,2 1 International Atomic Energy Agency, Vienna 2 Division of Applied Nuclear Physics, Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden Email: A.koning @iaea.org. EXTEND

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2. General overview of TALYS

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  1. 2. General overview of TALYS Prof. Dr. A.J. (Arjan) Koning1,2 1International Atomic Energy Agency, Vienna 2Division of Applied Nuclear Physics, Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden Email:A.koning@iaea.org EXTEND European School on Experiment, Theory and Evaluation of Nuclear Data, Uppsala University, Sweden, August 29 - September 2, 2016

  2. www.talys.eu

  3. PLATYPUS

  4. GENERAL FEATURESSituation in 1998 ! ALICE – LLNL – 1974 – Blann (Mc-)GNASH – LANL – 1977 – Young, Arthur & Chadwick TNG – ORNL – 1980 – Fu STAPRE – Univ. Vienna – 1980 – Uhl UNF,MEND – CIAE, Nanking Univ. – 1985 – Cai, Zhang EXIFON – Univ. Dresden – 1989 – Kalka EMPIRE – ENEA/IAEA/BNL – 1980 – Herman TALYS – NRG/CEA – 1998 – Koning, Hilaire & Duijvestijn Modern computers (i.e. speed and memory) available when the code conception was started

  5. GENERAL FEATURES GNASH Input file before 1998

  6. GENERAL FEATURESIdeasbehind TALYS conception - TALYS mantra : “ First Completeness then Quality” No NaNs No Crash Warnings to identify malfunctions Default « simple » models which will later be improved (anticipation) All output channels smoothly described - Transparent programming No unnecessary assumptions No equation simplification (one can recognize a general expression) Many comments No implicit definition of variables The variables are defined following the order of appearance in subroutines

  7. GENERAL FEATURESWhat TALYS does ! - Simulates a nuclear reaction projectiles : n,p,d,t,3he, 4he and gamma targets : 3 ≤ Z ≤ 110 or 5 ≤ A ≤ 339 (either isotopic or natural) - Incident projectile energy from a few keV up to 200 MeV (code works up to1 GeVbut physics?) - TALYS can be used : . In depth single reaction analysis . Global nuclear reaction network calculation (eg astrophysics) . Within a more global code system (reactor physics) . Without reaction calculation (only structure data provided) TALYS is always under development, while a stable version is released every 2 years.

  8. GENERAL FEATURESTechnicaldetails - Fortran 77 -  110000 lines (+ 20000 lines of ECIS) - Modern programming - modular (312 subroutines) - Explicit variable names and many comments (30% of total number of lines) - Transparent programming (few exceptions) - Flexible use and extensive validation - Flexibility : default 4 line idiot proof input (element, mass, projectile, energy) adjustment  300 keywords - Random input generation to check stability - Drip-line to drip-line calculations help removing bugs - >500 pages manual - Compiled and tested with several compilers and OS

  9. GENERAL FEATURESTypicalcalculation 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 energiesbetween 0 and 20 MeV:1 min. (Al-27) 4 min. (Pb-208) 10 min. (U-238) • 100 incident energiesbetween 0 and 200 MeV:20 min. (Al-27) 3-100 hours (U-238) depending on OMP • 60 incident energiesbetween 0 and 20 MeVforall2629 nuclides, stable or with t> 1 sec: about 200 hours • Toobtaincredible Monte Carlo basedcovariance data: multiply the abovenumbersby 50-500.

  10. GENERAL FEATURESTALYS versions online http://www.talys.eu • TALYS 1.0 (ND 2007) • TALYS 1.2 (End of 2009) • - new keywords (mainly to improve fitting possibilities) • - bugs corrected to solve crashes or unphysical results • - inclusion of microscopic ph level densities • - inclusion of Skm-HFB structure information (def., masses, g strengths) • - inclusion of D1M • TALYS 1.4 (End of 2011) • - new alpha and deuteron OMP • - URR extension • TALYS 1.6 (End of 2013) • - non-equidistant excitation energy binning possible (extension to energies > 200 MeV) • - direct and semi-direct capture added • - new microscopic lds from D1M • - medical isotope production implemented • - coupling to GEF for fission yields done • TALYS 1.8 (End of 2015) • Resolved resonance range added • More extensive GEF and fission possibilities (PFNS) added

  11. GENERAL FEATURESTALYS versions online http://www.talys.eu

  12. GENERAL FEATURESTALYS users and publications • User feedback via talys mailing list : info@talys.eu to be added to mailing list • : talys-l@nrg.eu to inform mailing list PUBLICATIONS

  13. TALYS code scheme

  14. n + 238U Optical model + Statistical model + Pre-equilibrium model sR = sd + s PE+ sCN Cross section (barn) Neutron energy (MeV) REACTION MODELS & REACTION CHANNELS (REMINDER) = snn’+ snf + sng + ...

  15. TIME SCALES AND ASSOCIATED MODELS (1/4) Typicalspectrumshape • Alwaysevaporationpeak • Discretepeaks at forward angles • Flat intermediateregion

  16. Reaction time TIME SCALES AND ASSOCIATED MODELS (2/4) d2s / dWdE Compound Nucleus Direct components Pre-equilibrium MSC MSD Lowemissionenergy Reaction time  10-18 s Isotropicangular distribution Intermediateemissionenergy Intermediatereaction time Anisotropicangular distribution smoothly increasing to forwardpeakedshape withoutgoingenergy High emissionenergy Reaction time  10-22 s Anisotropicangular distribution - forwardpeaked - oscillatorybehavior  spin and parity of residual nucleus Emission energy

  17. TIME SCALES AND ASSOCIATED MODELS (4/4)

  18. GENERAL FEATURESWhat TALYS yields Cross sections : total, reaction, elastic (shape & compound), non-elastic, inelastic (discrete levels & total) total particle production all exclusive reactions (n,nd2a) all exclusive isomer production all exclusive discrete and continuum g-ray production Spectra : elastic and inelastic angular distribution or energy spectra all exclusive double-differential spectra total particle production spectra compound and pre-equilibrium spectra per reaction stage. Fission observables : cross section (total, per chance) fission fragment mass and isotopic yields Miscellaneous : recoil cross sections and ddx particle multiplicities s and p wavefunctions and potentialscattering radius r’ nuclear structure only (levels, Q, ld tables, …) specificpre-equilibrium output (ph lds, decaywidths …) astrophysicalreaction rates

  19. Statistical Analysis of Cross Sections (SACS) by J. Kopecky: (n,p) Trend line Discrepant reactions S=(N-Z)/A

  20. Installing TALYS

  21. TALYS setup

  22. Alternative (manual) setup • cd talys/source • editmachine.f • replace the pathnameby the totalpathname of the structure database on your system • save machine.f • gfortran –c *.f • gfortran *.o –o talys • mv talys ~/bin or whereveryou want to have the executable

  23. Running the TALYS sample cases • Go to the samples/ directory • verify • Wait for 1-2 hours before all 27 sample cases have finished…….or try your own input files • All 27 sample cases are described in the manual, with input files, output files, plots etc. • See talys/doc/talys1.8.pdf

  24. TALYS sample cases (see manual) 232Th

  25. TALYS sample cases (see manual)

  26. TALYS sample cases (see manual)

  27. TALYS sample cases (see manual) • 19. Unresolved resonance range parameters: n + 136Ba • 20. Maxwellian averaged cross section at 30 keV: n + 138Ba • 21. Medical isotope production with p + 100Mo • 22. Calculations up to 500 MeV for p + 209Bi • 23. Neutron multiplicities and fission yields for n + 242Pu • 24. Local parameter adjustment for n + 93Nb • 25. Direct neutron capture for n + 89Y

  28. Sample 1A: simplest case (1 energy) • Cd talys/samples/1/a/new All important results are in the output file

  29. Sample 1: output

  30. Sample 1: output (continued)

  31. Sample 8: residual production with protons • Cd talys/samples/8/new; talys <input > output • (pre-calculated results in talys/samples/8/org)

  32. Residual production c.s. for Fe • Plot: xmgrace rp027056.tot

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