Thermal Scattering Kernel S(α,β): Measurement, Evaluation and Application

WPEC Subgroup 42 (SG42)

Information on this web page is for exclusive use by participants in the subgroup activities. The data from this web page should not be quoted or used without the explicit consent of the contributing author.

• SG42 proposal by G. Noguere, WPEC meeting, May 2015
• SG42 mailing list for questions, comments or to consult archives

Meetings

• NEA, Issy-les-Moulineaux, France, 19 May 2015
• NEA, OECD Conference Centre, Paris, France, 10-11 May 2016
• NEA, OECD Conference Centre, Paris, France, 16-18 May 2017
• NEA, OECD Conference Centre, Paris, France, 15-16 May 2018
  + Joint SG42/44 meeting, 15 May 2018
  

Related links

• Thermal Scattering Libraries, Centro Atomico Bariloche, Argetina
• The Thermal Scattering Law Data IAEA Nuclear Data Library
• The NAUSICAA collaboration
• EXFOR compilation of thermal neutron scattering data

Publications and documents

Methodologies (access to the files are restricted to SG42 members)

• "Evaluation of the neutron scattering cross-section for light water by molecular dynamics". Y.Abe n, T.Tsuboi, S.Tasaki, Nuclear Instruments and Methods in Physics Research A, 735 (2014) 568–573.
• "Molecular dynamics analysis of incoherent neutron scattering from light water via the Van Hove space–time self-correlation function with a new quantum correction", Y. Abe, S. Tasaki, Annals of Nuclear Energy 83 (2015) 302.
• "Cold and thermal neutron scattering in liquid water: cross-section model and dynamics of water molecules", Yoshinobu Edura, Nobuhiro Morishima, Nuclear Instruments and Methods in Physics Research A 534 (2004) 531–543.
• Cold and thermal neutron scattering in liquid water—II: Scattering laws and group constants for H2O and D2O, Yoshinobu Edura, Nobuhiro Morishima, Nuclear Instruments and Methods in Physics Research A 545 (2005) 309–318.
• Generation of neutron multigroup constants in the energy range 0:1 meV–10MeV for light and heavy water at four different temperatures, Yoshinobu Edura, Nobuhiro Morishima, Nuclear Instruments and Methods in Physics Research A 560 (2006) 485–493.
• Light and heavy water dynamic structure factor for neutron transport codes, Emmanuel Farhi, Ghislain Ferran, Wim Haeck, Eric Pellegrini and Yoann Calzavara, Journal of Nuclear Science and Technology, 2015, Vol. 52, No. 6, 844–856.
• Modern Techniques for Inelastic Thermal Neutron Scattering Analysis, A.I. Hawari1, Nuclear Data Sheets 118 (2014) 172–175.
• Phonon density of states and anharmonicity of UO2, Judy W. L. Pang,  Aleksandr Chernatynskiy, Bennett C. Larson, William J. L. Buyers, Douglas L. Abernathy, Kenneth J. McClellan, and Simon R. Phillpot, PHYSICAL REVIEW B 89, 115132 (2014).
• Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity of UO2 by Neutron Scattering and Theory, Judy W. L. Pang, William J. L. Buyers, Aleksandr Chernatynskiy, Mark D. Lumsden, Bennett C. Larson, and Simon R. Phillpot, PHYSICAL REVIEW LETTERS 110, 157401 (2013).
• Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems, Florent Réal, Valérie Vallet, Jean-Pierre Flament, and Michel Masella, THE JOURNAL OF CHEMICAL PHYSICS 139, 114502 (2013).
• Thermal Neutron Scattering Cross Sections for H in CaH2 and Ca in CaH2, O. Serot, JEFF-DOC 1053, No. 2004.
• Generation of Thermal Scattering Laws for YH2 using Ab Initio Methods, Michael L. Zerkle, Transactions of the American Nuclear Society, Vol. 111, Anaheim, California, November 9–13, 2014.
• CAB models for water: A new evaluation of the thermal neutron scattering laws for light and heavy water in ENDF-6 format, J.I. Marquez Damian, J.R. Granada a, D.C. Malaspina, Annals of Nuclear Energy 65 (2014) 280–289.

Thermal Scattering Libraries

Access to the files are restricted to SG42 members

• New Thermal Neutron Scattering Files for ENDF/B-VI Release 2, R. E. MacFarlane, LA-12639-MS (ENDF356) UC-413 Issued: March 1994.
• Thermal Neutron Scattering Data for the Moderator Materials H2O, D2O and ZrHx in ENDF-6 Format and as ACE Library for MCNP(X) Codes, M. Mattes and J. Keinert, INDC(NDS)-0470

Generating S(a,b) covariances

Access to the files are restricted to SG42 members

• Generation of an S(α, β) Covariance Matrix by Monte Carlo Sampling of the Phonon Frequency Spectrum, J.C. Holmes and A.I. Hawari, Nuclear Data Sheets 118 (2014) 392–395.
• Monte Carlo Calculation of Thermal Neutron Inelastic Scattering Cross Section Uncertainties by Sampling Perturbed Phonon Spectra. PhD Thesis, HOLMES, JESSE CURTIS.
• Production of an S(α,β) Covariance Matrix with a Monte Carlo-Generated Set of Perturbed Phonon Frequency Spectra, Jesse C. Holmes, Ayman. I. Hawari,  Luiz Leal, Slides NC State University, ANS 2012.

Interpolation in S(a,b)

Access to the files are restricted to SG42 members

• "Comparison of thermal scattering processing options for S(a,b) cards in MCNP", Stefan Cerba, Jose Ignacio Marquez Damian, Jakub Luley, Branislav Vrban, Gabriel Farkas, Vladimir Necas, Jan Hascik, Annals of Nuclear Energy 55 (2013) 18–22.
• "On-the-fly sampling of temperature-dependent thermal neutron scattering data for Monte Carlo simulations", Andrew T. Pavlou, Wei Ji. Annals of Nuclear Energy 71 (2014) 411–426.

Practical application

• Review of Recent International Activities on Neutron Thermal Scattering in past JEFF meetings, O. Cabellos, JEF/DOC-1602, November 2014.
• The thermal scattering law data files for JEFF, G. Noguere, JEF/DOC-1601, November 2014.
• NAUSICAA project : new cross sections evaluation for thermal neutrons, Y. Calzavara,  JEF/DOC-1578, April 2014.
• "Thermal Scattering Libraries Processing", E. Castro, O. Cabellos, EFFDOC-1205, November 2013.
• "Propagation of U235-238, Pu239 and STL Nuclear Data Uncertainties for PWR core analysis", O. Cabellos. JEF/DOC-1524, November 2013.
• PROPAGATION OF NUCLEAR DATA UNCERTAINTIES FOR PWR CORE ANALYSIS, O. Cabellos, E. Castro, C. Ahnert, and C. Holgado, Nuclear Engineering and Technology, Volume 46, Issue 3, June 2014, Pages 299–312.
• Random Adjustment of the H in H2O Neutron Thermal Scattering Data, D. Rochman and A. J. Koning, NUCLEAR SCIENCE AND ENGINEERING: 172, 287–299 (2012).

NEA/CPS links

• NEA-0480 ADDELT. ADDELT, Scattering Law Correlation for Delta Function Phonon Spectra. 1979
• NESC0263 GASKET, GASKET-2, Thermal Neutron Scattering Law for Moderators, Harmonic Vibrations and Gaseous. 1973
• NEA-0479 LEAP. LEAP, Scattering Law for Continuous Phonon Spectra. 1979
• NESC0574 MACS, MACS, Lattice Vibrations Structure Factors for Thermal Neutron Scattering in Moderators. 1974
• NEA-0482 PIXSE.PIXSE, Scattering Moments Calculation from Scattering Law. 1978
• NEA-0484 S1CALC. S1CALC, Scattering Law for Delta Function or Gaussian Phonon Spectra. 1978
• NEA-0658 THRUSH. THRUSH, Thermal Neutron Coherent and Incoherent Scattering Kernels by Phonon Expansion. 1986
• NESC0543:  ZZ-THERMOS. ZZ THERMOS, Multigroup P0 to P5 Thermal Scattering Kernels from ENDF/B Scattering Law Data. 1975
• iaea1418, ZZ INDL/TSL, Thermal Neutron Scattering Data for H2O, D2O and ZrHx in ENDF-6 Format and as MCNP(X) Data Sets. 2005
• nea-1787 ZZ CRYO-S(A,B)-ACE1, Scattering law and continuous energy cross section library of materials at cryogenic temperatures. 2007
• nea-1883, ZZ TSL-ACE/2013, Thermal Scattering Libraries processed to ACE format. 2014

Memo and disclaimer

• "Needs for improving TSL data file for H in CaH2 and Ca in CaH2" by G. Gilles NOGUERE
• "Production of Model Parameter Covariance Matrix for the LEAPR model of NJOY with the CONRAD code, preliminary results" by Gilles NOGUERE, Edwin PRIVAS, Juan Pablo SCOTTA, Pascal ARCHIER, C. De Saint Jean
• Notes on Using the NJOY Code for Mixed Moderators by Dr. Jesse C. Holmes

Random TSL files for TMC calculations

1000 H in H2O files based on JEFF-311

Co-ordinator: Guilles Noguere

Contact

For more information, please contact: Michael Fleming

Last update: 3 September 2018