Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications

Chris W. Chapman; Kemal Ramić; Xunxiang Hu; Jesse M. Brown; Goran Arbanas; Alexander I. Kolesnikov; Douglas L. Abernathy; Luke Daemen; Anibal (Timmy) J. Ramirez-Cuesta; Yongqiang Cheng; Matthew B. Stone; Li (Emily) Liu; Yaron Danon

doi:10.1016/j.anucene.2021.108224

Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications

Chris W. Chapman, Kemal Ramić, Xunxiang Hu, Jesse M. Brown, Goran Arbanas, Alexander I. Kolesnikov, Douglas L. Abernathy, Luke Daemen, Anibal (Timmy) J. Ramirez-Cuesta, Yongqiang Cheng, Matthew B. Stone, Li (Emily) Liu, Yaron Danon

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Abstract

Thermal neutron scattering measurements of yttrium hydride from 5 to 1,200 K were conducted to determine the change in inelastic scattering as a function of temperature and to probe for anharmonic effects. Additionally, measurements on samples of YH_x from x = 1.62 to 1.90 were done to determine the effects of varying hydrogen concentration on the inelastic spectra. Changes in temperature affected the inelastic spectra in unanticipated ways, indicating that there are anharmonic effects, whereas hydrogen concentration did not significantly affect the inelastic spectra. These measurements were compared against the ENDF/B-VIII.0 thermal scattering files of YH₂, as well as new thermal scattering files created by using the stochastic temperature-dependent effective potential (s-TDEP). Both libraries were found to be in good agreement with the experimental data at lower temperatures. At higher temperatures, the s-TDEP method is better at predicting the experimentally observed softening of phonon modes in acoustic and optical regions.

Original language	English
Article number	108224
Journal	Annals of Nuclear Energy
Volume	157
DOIs	https://doi.org/10.1016/j.anucene.2021.108224
State	Published - Jul 2021

Funding

This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). This research was sponsored by the Transformational Challenge Reactor Program of the US Department of Energy Office of Nuclear Energy. This research used resources of the Compute and Data Environment for Science at ORNL, which is supported by DOE SC under Contract No. DE-AC05-00OR22725. This research used resources of the National Energy Research Scientific Computing Center, a DOE SC user facility operated under Contract No. DE-AC02-05CH11231.

Keywords

Temperature dependent effective potential
Thermal neutron scattering
Yttrium hydride

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10.1016/j.anucene.2021.108224

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Chapman, C. W., Ramić, K., Hu, X., Brown, J. M., Arbanas, G., Kolesnikov, A. I., Abernathy, D. L., Daemen, L., Ramirez-Cuesta, A. J., Cheng, Y., Stone, M. B., Liu, L., & Danon, Y. (2021). Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications. Annals of Nuclear Energy, 157, Article 108224. https://doi.org/10.1016/j.anucene.2021.108224

@article{c205a0ace8ee40d7abf54c4486ca3079,

title = "Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications",

abstract = "Thermal neutron scattering measurements of yttrium hydride from 5 to 1,200 K were conducted to determine the change in inelastic scattering as a function of temperature and to probe for anharmonic effects. Additionally, measurements on samples of YHx from x = 1.62 to 1.90 were done to determine the effects of varying hydrogen concentration on the inelastic spectra. Changes in temperature affected the inelastic spectra in unanticipated ways, indicating that there are anharmonic effects, whereas hydrogen concentration did not significantly affect the inelastic spectra. These measurements were compared against the ENDF/B-VIII.0 thermal scattering files of YH2, as well as new thermal scattering files created by using the stochastic temperature-dependent effective potential (s-TDEP). Both libraries were found to be in good agreement with the experimental data at lower temperatures. At higher temperatures, the s-TDEP method is better at predicting the experimentally observed softening of phonon modes in acoustic and optical regions.",

keywords = "Temperature dependent effective potential, Thermal neutron scattering, Yttrium hydride",

author = "Chapman, {Chris W.} and Kemal Rami{\'c} and Xunxiang Hu and Brown, {Jesse M.} and Goran Arbanas and Kolesnikov, {Alexander I.} and Abernathy, {Douglas L.} and Luke Daemen and Ramirez-Cuesta, {Anibal (Timmy) J.} and Yongqiang Cheng and Stone, {Matthew B.} and Liu, {Li (Emily)} and Yaron Danon",

note = "Publisher Copyright: {\textcopyright} 2021 Elsevier Ltd",

year = "2021",

month = jul,

doi = "10.1016/j.anucene.2021.108224",

language = "English",

volume = "157",

journal = "Annals of Nuclear Energy",

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Chapman, CW , Ramić, K, Hu, X, Brown, JM , Arbanas, G , Kolesnikov, AI , Abernathy, DL, Daemen, L, Ramirez-Cuesta, AJ , Cheng, Y , Stone, MB, Liu, L & Danon, Y 2021, 'Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications', Annals of Nuclear Energy, vol. 157, 108224. https://doi.org/10.1016/j.anucene.2021.108224

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T1 - Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications

AU - Chapman, Chris W.

AU - Ramić, Kemal

AU - Hu, Xunxiang

AU - Brown, Jesse M.

AU - Arbanas, Goran

AU - Kolesnikov, Alexander I.

AU - Abernathy, Douglas L.

AU - Daemen, Luke

AU - Ramirez-Cuesta, Anibal (Timmy) J.

AU - Cheng, Yongqiang

AU - Stone, Matthew B.

AU - Liu, Li (Emily)

AU - Danon, Yaron

PY - 2021/7

Y1 - 2021/7

N2 - Thermal neutron scattering measurements of yttrium hydride from 5 to 1,200 K were conducted to determine the change in inelastic scattering as a function of temperature and to probe for anharmonic effects. Additionally, measurements on samples of YHx from x = 1.62 to 1.90 were done to determine the effects of varying hydrogen concentration on the inelastic spectra. Changes in temperature affected the inelastic spectra in unanticipated ways, indicating that there are anharmonic effects, whereas hydrogen concentration did not significantly affect the inelastic spectra. These measurements were compared against the ENDF/B-VIII.0 thermal scattering files of YH2, as well as new thermal scattering files created by using the stochastic temperature-dependent effective potential (s-TDEP). Both libraries were found to be in good agreement with the experimental data at lower temperatures. At higher temperatures, the s-TDEP method is better at predicting the experimentally observed softening of phonon modes in acoustic and optical regions.

AB - Thermal neutron scattering measurements of yttrium hydride from 5 to 1,200 K were conducted to determine the change in inelastic scattering as a function of temperature and to probe for anharmonic effects. Additionally, measurements on samples of YHx from x = 1.62 to 1.90 were done to determine the effects of varying hydrogen concentration on the inelastic spectra. Changes in temperature affected the inelastic spectra in unanticipated ways, indicating that there are anharmonic effects, whereas hydrogen concentration did not significantly affect the inelastic spectra. These measurements were compared against the ENDF/B-VIII.0 thermal scattering files of YH2, as well as new thermal scattering files created by using the stochastic temperature-dependent effective potential (s-TDEP). Both libraries were found to be in good agreement with the experimental data at lower temperatures. At higher temperatures, the s-TDEP method is better at predicting the experimentally observed softening of phonon modes in acoustic and optical regions.

KW - Temperature dependent effective potential

KW - Thermal neutron scattering

KW - Yttrium hydride

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DO - 10.1016/j.anucene.2021.108224

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VL - 157

JO - Annals of Nuclear Energy

JF - Annals of Nuclear Energy

M1 - 108224

ER -

Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications

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Keywords

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