Thermal scattering law of ${\left({\text{C}}_2{\text{H}}_4\right)}_{\text{n}}$ : Integrating experimental data with DFT calculations

Journal Article · Sat Jun 30 00:00:00 EDT 2018 · Annals of Nuclear Energy (Oxford)

DOI:https://doi.org/10.1016/j.anucene.2018.06.029· OSTI ID:1460187

Ramic, Kemal ^[1]; Wendorff, Carl ^[1]; Cheng, Yongqiang ^[2]; Kolesnikov, Alexander I. ^[2]; Abernathy, Doug L. ^[2]; Daemen, Luke ^[2]; Arbanas, Goran ^[2]; Leal, Luiz ^[3]; Danon, Yaron ^[1]; Liu, Li Emily ^[1]

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1. Rensselaer Polytechnic Inst., Troy, NY (United States)
2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
3. Radioprotection and Nuclear Safety Inst. (IRSN), Paris (France)

Improvements in determination of the thermal scattering law of moderator materials (measuring, calculating and validating) are important for accurate prediction of neutron thermalization in nuclear systems. In this paper a methodology for producing thermal scattering libraries from the experimental data for polyethylene ${\left({\text{C}}_2{\text{H}}_4\right)}_{\text{n}}$ is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). New scattering kernel evaluations, based on phonon spectrum for ${\left({\text{C}}_2{\text{H}}_4\right)}_{\text{n}}$, are created using the NJOY2016 code. Two different methods were used: direct and indirect geometry neutron scattering at ARCS and SEQUOIA, and VISION instruments, respectively, where the phonon spectrum was derived from the dynamical structure factor S(Q, $\omega$) obtained from the measured DDSCS. In order to compare and validate the newly created library, the experimental setup was simulated using MCNP6.1. Compared with the current ENDF/B-VII.1, the resulting RPI ${\left({\text{C}}_2{\text{H}}_4\right)}_{\text{n}}$ libraries improved both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing ${\left({\text{C}}_2{\text{H}}_4\right)}_{\text{n}}$ from HEU-MET-THERM resulted in an overall improved calculation of $K_{\mathit{eff}}$, although the libraries should be tested against benchmarks more sensitive to ${\left({\text{C}}_2{\text{H}}_4\right)}_{\text{n}}$. The DFT + oClimax method is used and is shown to be most comprehensive method for analysis of moderator materials. Finally, the importance of DFT + oClimax method lies in the fact that it can be validated against all data measured at VISION, ARCS and SEQUOIA, and experimental total scattering cross section measurements.

• Research Organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Grant/Contract Number: AC05-00OR22725
• OSTI ID: 1460187
• Alternate ID(s): OSTI ID: 1543158
• Journal Information: Annals of Nuclear Energy (Oxford), Vol. 120; ISSN 0306-4549
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
phonon spectrum
ENDF
neutron scattering
double differential scattering cross section
GDOS
polyethylene
criticality safety
density function theory