Generation of the Thermal Scattering Law of Uranium Dioxide with Ab Initio Lattice Dynamics to Capture Crystal Binding Effects on Neutron Interactions

Wormald, J. L.; Fleming, N. C.; Hawari, A. I.; Zerkle, M. L.

doi:10.1080/00295639.2020.1820826

Generation of the Thermal Scattering Law of Uranium Dioxide with Ab Initio Lattice Dynamics to Capture Crystal Binding Effects on Neutron Interactions

Journal Article · Thu Nov 05 04:00:00 EST 2020 · Nuclear Science and Engineering

DOI:https://doi.org/10.1080/00295639.2020.1820826· OSTI ID:1925204

^[1]; Fleming, N. C. ^[2]; ^[2]; ^[3]

Naval Nuclear Lab., Schenectady, NY (United States)
North Carolina State Univ., Raleigh, NC (United States)
Naval Nuclear Lab., West Mifflin, PA (United States)

Scattering of thermal neutrons and Doppler broadening of epithermal neutron resonances in uranium and its compounds may be sensitive to crystal binding. The thermal scattering law (TSL) for uranium dioxide, which captures crystal binding effects, has been reevaluated for ENDF/B-VIII.0. Phonon spectra were generated using ab initio lattice dynamics for the paramagnetic phase and validated against experiment. Improved agreement with the Debye-Waller coefficient as a function of temperature is found relative to the spectrum used for the ENDF/B-VII.1 evaluation. The TSL was generated using the phonon expansion method within the NJOY nuclear data processing package and was found to be in reasonable agreement with inelastic neutron scattering measurements. The present evaluation predicts a reduction in the inelastic scattering cross section relative to ENDF/B-VII.1 and a total scattering cross section consistent with neutron transmission experiments

Research Organization:: Naval Nuclear Lab., Howe, ID (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA), Nuclear Criticality Safety Program (NCSP); USDOE Office of Nuclear Energy (NE), Nuclear Energy University Program (NEUP); Naval Nuclear Propulsion Program

DOE Contract Number:: 89233018CNR000004

OSTI ID:: 1925204

Journal Information:: Nuclear Science and Engineering, Journal Name: Nuclear Science and Engineering Journal Issue: 3 Vol. 195; ISSN 0029-5639

Publisher:: Taylor & Francis

Country of Publication:: United States

Language:: English

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73 NUCLEAR PHYSICS AND RADIATION PHYSICS
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Nuclear Criticality Safety Program (NCSP)
Nuclear Data
phonons
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uranium dioxide

Generation of the Thermal Scattering Law of Uranium Dioxide with Ab Initio Lattice Dynamics to Capture Crystal Binding Effects on Neutron Interactions

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