2023 article
Evaluation of Thermal Neutron Scattering Law and Cross Sections for Calcium Hydride
15TH INTERNATIONAL CONFERENCE ON NUCLEAR DATA FOR SCIENCE AND TECHNOLOGY, ND2022, Vol. 284.
www.epj-conferences.org (publisher PDF)
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(Web of Science)
Source: Web Of Science
Added: September 11, 2023
Presented here 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 do not fully capture the scattering physics of the CaH2 system. 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 derive the TSL. The TSL and cross sections have been evaluated for the three non-equivalent atom cites in the CaH2: Ca, H1, and H2. Each evaluation has been submitted to the NNDC for consideration in the next ENDF/B database release.