Evaluation of Thermal Neutron Scattering Law and Cross Sections for Calcium Hydride

Conference · Fri Jul 22 04:00:00 EDT 2022

OSTI ID:1897650

Laramee, Briana K. ^[1]; Hawari, Ayman I. ^[1]

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1. North Carolina State Univ., Raleigh, NC (United States)

Presented in this paper are the calculated thermal scattering law (TSL) and thermal neutron scattering cross sections for Calcium Hydride, hereafter referred to by its chemical symbol CaH₂. The only other such data prior to this evaluation are thermal neutron scattering libraries in the JEFF database, which suffer from nonphysical features and inaccuracies. The data in this evaluation are calculated from first principles; Density Functional Theory (DFT) is used to calculate the phonon density of states (DOS), which is the primary input required to calculate the TSL. The TSL and cross sections have been evaluated for the three non-equivalent atom cites in the CaH_2: Ca, H₁, and H₂. Each evaluation has been submitted to the NNDC for consideration in the next ENDF/B release.

• Research Organization: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA), Nuclear Criticality Safety Program (NCSP)
• DOE Contract Number: AC52-07NA27344
• OSTI ID: 1897650
• Country of Publication: United States
• Language: English

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS
Density Functional Theory (DFT)
Density of States (DOS)
Nuclear Criticality Safety Program (NCSP)
Nuclear Data
Thermal Scattering Law (TSL)