Abstract
With the advancements in technology (both experimental and computational) the determination of the“true” experimental phonon spectrum became more accessible. In this work a methodology for producing thermal scattering libraries from the experimental data (namely the DFT + oClimax method) for lucite (C5O2H8)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 the phonon spectrum for (C5O2H8)n,were created using oClimax and NJOY2016 codes. In order to compare and asses the performance of the newly created library, the experimental setup was simulated using MCNP6.1. Compared to the current ENDF/B-VIII.0, the resulting RPI (C5O2H8)n library improved the calculation of both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing (C5O2H8)n from HEU-MET-THERM resulted in an overall improved calculation of K_eff. The DFT + oClimax method is shown to be the most comprehensive method for analysis of moderator materials, due to the fact that it can be verified against all data measured at VISION, ARCS and SEQUOIA neutron spectrometers at SNS ORNL, and experimental total scattering cross section measurements. This method also provides a new technique for calculating any phonon spectrum-related quantities such as scattering law kernel, specific heat capacity, thermal conductivity, etc. for any solid state material.
