@inproceedings{d915962cd1b64855b977981656d1cec8,
title = "Thermal neutron scattering cross sections of thorium hydride",
abstract = "An ab initio approach is used to calculate the phonon frequency distribution of thorium hydride (ThH 2). The scattering law and the thermal neutron scattering cross sections for Th and H have been generated using this distribution. Due to the lack of experimental data, the results have been compared to zirconium hydride (ZrH 2) data that were generated using a classical lattice dynamics model. Based on this comparison, it is shown that the differences in properties of ThH 2 and ZrH 2 are entirely consistent with the physical differences between the two materials. Consequently, this work provides a set of data that is useful in nuclear reactor technology, and illustrates the utility of the ab initio approach as a unique predictive tool of the properties of materials that are of interest to nuclear reactor design.",
keywords = "Ab initio, Metal hydrides, Phonon frequency distribution, Thermal neutron scattering cross section, Thorium hydride, VASP, Zirconium hydride",
author = "Al-Qasir, {I. I.} and Hawari, {A. I.} and Gillette, {V. H.} and Wehring, {B. W.} and T. Zhou",
year = "2004",
language = "English",
isbn = "0894486837",
series = "Proceedings of the PHYSOR 2004: The Physics of Fuel Cycles and Advanced Nuclear Systems - Global Developments",
pages = "527--533",
booktitle = "Proceedings of the PHYSOR 2004",
note = "PHYSOR 2004: The Physics of Fuel Cycles and Advanced Nuclear Systems - Global Developments ; Conference date: 25-04-2004 Through 29-04-2004",
}