Raman spectroscopy of uranium nitride kernels

Lopez-Honorato, Eddie; Liang, Liangbo; Kurley, J. Matthew; Montoya, Katherine; Cureton, William F.; Siebert, Rachel; Hunt, Rodney Dale; Capps, Nathan; Nelson, Andrew T.

doi:10.1016/j.jnucmat.2024.155050

Raman spectroscopy of uranium nitride kernels

Journal Article · Fri Mar 29 00:00:00 EDT 2024 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2024.155050· OSTI ID:2345326

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Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Uranium nitride is an advanced fuel candidate for a wide variety of advanced nuclear reactors. This work summarizes the first characterization of UN kernels by Raman spectroscopy. First-principles density functional theory calculations were performed to predict the Raman spectra of uranium sesquinitride (U₂N₃), uranium dinitride (UN₂), uranium mononitride (UN), uranium monocarbide (UC), as well as U-N-C (UN_1-xC_x) and a U-N-C-O mixture. Further, a core–shell structure was identified by scanning electron microscopy and Raman spectroscopy imaging. A signal at ~500 cm^-1 was identified on the periphery of the core-shell structure, possibly corresponding to U₂N₃ and/or UN₂. This signal broadens and shifts to 470 cm^-1 because of the formation of UNC, UNCO or U₂N_3+x structures. The culmination of this work demonstrates the feasibility of using Raman spectroscopy to identify variations in composition and phases in UN kernels.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: AC02-05CH11231; AC05-00OR22725

OSTI ID:: 2345326

Journal Information:: Journal of Nuclear Materials, Journal Name: Journal of Nuclear Materials Vol. 595; ISSN 0022-3115

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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