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    Rights statement: This is the author’s version of a work that was accepted for publication in Journal of Nuclear Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Nuclear Materials, 562, 2022 DOI: 10.1016/j.jnucmat.2022.153612

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Simulation of uranium mononitride spent fuel: A crystallographic approach

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Simulation of uranium mononitride spent fuel: A crystallographic approach. / Degueldre, C.; Goddard, D.T.; Berhane, G. et al.
In: Journal of Nuclear Materials, Vol. 562, 153612, 15.04.2022.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

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Degueldre C, Goddard DT, Berhane G, Simpson A, Boxall C. Simulation of uranium mononitride spent fuel: A crystallographic approach. Journal of Nuclear Materials. 2022 Apr 15;562:153612. Epub 2022 Feb 24. doi: 10.1016/j.jnucmat.2022.153612

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Degueldre, C. ; Goddard, D.T. ; Berhane, G. et al. / Simulation of uranium mononitride spent fuel : A crystallographic approach. In: Journal of Nuclear Materials. 2022 ; Vol. 562.

Bibtex

@article{2d2195640ecb47a990adcd981ee47af8,
title = "Simulation of uranium mononitride spent fuel: A crystallographic approach",
abstract = "Uranium mononitride (UN) is an attractive fuel for a range of reactors, including, with adequate protection against reaction with water, for large scale and small modular light water reactors. The study of the speciation of fission products (Fps) in spent UN fuel is required to understand their properties such as phase stability and retention during long term storage and disposal. The present study reviews and applies Hume-Rothery rules to predict this speciation. This law provides an estimate of the way UN may form solid solutions with actinide (An) and fission product mononitrides from Beginning of Life (BoL) to End of Life (EoL). Composition at EoL is estimated for a high burnup fuel (60 MW d kg−1) using the FISPIN fuel inventory code. Many Fps are trivalent (Ln, Y, Zr, Nb) and are expected to recrystallize in face centred cubic (fcc) solid solutions with UN. Other Fps are divalent (Ba, Sr) and monovalent (Cs, Rb) and some elements are non-valent (Mo, Tc, Ru, Rh, Pd) as well as noble gases (Xe, Kr), and halides (I, Br) which may form nano-precipitates. Actinides formed by neutron capture of 238U are all An3+ which are also expected and found in fcc solid solution with UN. The spent fuel is consequently formed of a large fraction of solid soluble nitrides (U, An, Ln, Y, Zr, Nb)N forming a single rather homogeneous phase according to the Hume-Rothery rules. This phase will also follow Vegard's law. Because of the low temperature of the fuel, the Fps are expected to be soluble or nano-dispersed precipitates. Microscopic precipitated phases are not expected.",
keywords = "Actinide nitride solubility, Fission product nitride solubility, Nitride spent fuel, Transition metal precipitate, Uranium mononitride, Fuel storage, Inert gases, Light water reactors, Nitrides, Nuclear fuel reprocessing, Solid solutions, Solubility, Temperature, Transition metals, Uranium compounds, Actinide nitrides, End of lives, Face-centred cubic, Hume-Rothery rules, Metal precipitates, Mononitride, Nitride spend fuel, Fission products",
author = "C. Degueldre and D.T. Goddard and G. Berhane and A. Simpson and C. Boxall",
note = "This is the author{\textquoteright}s version of a work that was accepted for publication in Journal of Nuclear Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Nuclear Materials, 562, 2022 DOI: 10.1016/j.jnucmat.2022.153612",
year = "2022",
month = apr,
day = "15",
doi = "10.1016/j.jnucmat.2022.153612",
language = "English",
volume = "562",
journal = "Journal of Nuclear Materials",
issn = "0022-3115",
publisher = "Elsevier Science B.V.",

}

RIS

TY - JOUR

T1 - Simulation of uranium mononitride spent fuel

T2 - A crystallographic approach

AU - Degueldre, C.

AU - Goddard, D.T.

AU - Berhane, G.

AU - Simpson, A.

AU - Boxall, C.

N1 - This is the author’s version of a work that was accepted for publication in Journal of Nuclear Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Nuclear Materials, 562, 2022 DOI: 10.1016/j.jnucmat.2022.153612

PY - 2022/4/15

Y1 - 2022/4/15

N2 - Uranium mononitride (UN) is an attractive fuel for a range of reactors, including, with adequate protection against reaction with water, for large scale and small modular light water reactors. The study of the speciation of fission products (Fps) in spent UN fuel is required to understand their properties such as phase stability and retention during long term storage and disposal. The present study reviews and applies Hume-Rothery rules to predict this speciation. This law provides an estimate of the way UN may form solid solutions with actinide (An) and fission product mononitrides from Beginning of Life (BoL) to End of Life (EoL). Composition at EoL is estimated for a high burnup fuel (60 MW d kg−1) using the FISPIN fuel inventory code. Many Fps are trivalent (Ln, Y, Zr, Nb) and are expected to recrystallize in face centred cubic (fcc) solid solutions with UN. Other Fps are divalent (Ba, Sr) and monovalent (Cs, Rb) and some elements are non-valent (Mo, Tc, Ru, Rh, Pd) as well as noble gases (Xe, Kr), and halides (I, Br) which may form nano-precipitates. Actinides formed by neutron capture of 238U are all An3+ which are also expected and found in fcc solid solution with UN. The spent fuel is consequently formed of a large fraction of solid soluble nitrides (U, An, Ln, Y, Zr, Nb)N forming a single rather homogeneous phase according to the Hume-Rothery rules. This phase will also follow Vegard's law. Because of the low temperature of the fuel, the Fps are expected to be soluble or nano-dispersed precipitates. Microscopic precipitated phases are not expected.

AB - Uranium mononitride (UN) is an attractive fuel for a range of reactors, including, with adequate protection against reaction with water, for large scale and small modular light water reactors. The study of the speciation of fission products (Fps) in spent UN fuel is required to understand their properties such as phase stability and retention during long term storage and disposal. The present study reviews and applies Hume-Rothery rules to predict this speciation. This law provides an estimate of the way UN may form solid solutions with actinide (An) and fission product mononitrides from Beginning of Life (BoL) to End of Life (EoL). Composition at EoL is estimated for a high burnup fuel (60 MW d kg−1) using the FISPIN fuel inventory code. Many Fps are trivalent (Ln, Y, Zr, Nb) and are expected to recrystallize in face centred cubic (fcc) solid solutions with UN. Other Fps are divalent (Ba, Sr) and monovalent (Cs, Rb) and some elements are non-valent (Mo, Tc, Ru, Rh, Pd) as well as noble gases (Xe, Kr), and halides (I, Br) which may form nano-precipitates. Actinides formed by neutron capture of 238U are all An3+ which are also expected and found in fcc solid solution with UN. The spent fuel is consequently formed of a large fraction of solid soluble nitrides (U, An, Ln, Y, Zr, Nb)N forming a single rather homogeneous phase according to the Hume-Rothery rules. This phase will also follow Vegard's law. Because of the low temperature of the fuel, the Fps are expected to be soluble or nano-dispersed precipitates. Microscopic precipitated phases are not expected.

KW - Actinide nitride solubility

KW - Fission product nitride solubility

KW - Nitride spent fuel

KW - Transition metal precipitate

KW - Uranium mononitride

KW - Fuel storage

KW - Inert gases

KW - Light water reactors

KW - Nitrides

KW - Nuclear fuel reprocessing

KW - Solid solutions

KW - Solubility

KW - Temperature

KW - Transition metals

KW - Uranium compounds

KW - Actinide nitrides

KW - End of lives

KW - Face-centred cubic

KW - Hume-Rothery rules

KW - Metal precipitates

KW - Mononitride

KW - Nitride spend fuel

KW - Fission products

U2 - 10.1016/j.jnucmat.2022.153612

DO - 10.1016/j.jnucmat.2022.153612

M3 - Journal article

VL - 562

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

M1 - 153612

ER -