Lattice contraction and lattice deformation of UO2 and ThO2 doped with Gd2O3

Angela Baena; Thomas Cardinaels; Kevin Govers; Janne Pakarinen; Koen Binnemans; Marc Verwerft

doi:10.1016/j.jnucmat.2015.09.018

Lattice contraction and lattice deformation of UO₂ and ThO₂ doped with Gd₂O₃

Angela Baena
, Thomas Cardinaels
, Kevin Govers
, Janne Pakarinen
, Koen Binnemans
, Marc Verwerft^*

^*Corresponding author for this work

Not published at VTT

Belgian Nuclear Research Centre (SCK CEN)
Katholieke Universiteit Leuven (KU Leuven)

Research output: Contribution to journal › Article › Scientific › peer-review

26 Citations (Scopus)

Abstract

The lattice deformations in two doped fluorite systems, (U_1-xGd_x)O_2.00 and (Th_1-xGd_x)O_2-x/2, have been reassessed by precise X-ray and electron diffraction investigations and the results were interpreted using the Bond Valence Sum (BVS) approach. For the (U_1-xGd_x)O_2.00 system, the experimental findings and theoretical assessment confirm earlier work: the lattice keeps its fluorite structure with a unit cell parameter that contracts linearly with dopant concentration. The lattice contraction in the (Th_1-xGd_x)O_2-x/2 system has for the first time been analyzed up to the solubility limit. Similar as for (U_1-xGd_x)O_2.00, the (Th_1-xGd_x)O_2-x/2 solid solution contracts linearly as a function of dopant concentration but additionally, it develops a superstructure which is closely related to the parent fluorite structure. An excess anion bixbyite trial model is proposed to describe this superstructure.

Original language	English
Pages (from-to)	135-143
Journal	Journal of Nuclear Materials
Volume	467
DOIs	https://doi.org/10.1016/j.jnucmat.2015.09.018
Publication status	Published - 1 Dec 2015
MoE publication type	A1 Journal article-refereed

Keywords

Bixbyite structure
Bond Valence Sum
Condensed matter
Diffuse scattering
Electron diffraction
Fluorite structure
Gadolinium sesquioxide
Solid solutions
Structure defects
ThO-GdO
Thorium dioxide
UO-GdO
Uranium dioxide
X-ray diffraction

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10.1016/j.jnucmat.2015.09.018

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@article{f4283df6a167440cac640c7450d9c757,

title = "Lattice contraction and lattice deformation of UO2 and ThO2 doped with Gd2O3",

abstract = "The lattice deformations in two doped fluorite systems, (U1-xGdx)O2.00 and (Th1-xGdx)O2-x/2, have been reassessed by precise X-ray and electron diffraction investigations and the results were interpreted using the Bond Valence Sum (BVS) approach. For the (U1-xGdx)O2.00 system, the experimental findings and theoretical assessment confirm earlier work: the lattice keeps its fluorite structure with a unit cell parameter that contracts linearly with dopant concentration. The lattice contraction in the (Th1-xGdx)O2-x/2 system has for the first time been analyzed up to the solubility limit. Similar as for (U1-xGdx)O2.00, the (Th1-xGdx)O2-x/2 solid solution contracts linearly as a function of dopant concentration but additionally, it develops a superstructure which is closely related to the parent fluorite structure. An excess anion bixbyite trial model is proposed to describe this superstructure.",

keywords = "Bixbyite structure, Bond Valence Sum, Condensed matter, Diffuse scattering, Electron diffraction, Fluorite structure, Gadolinium sesquioxide, Solid solutions, Structure defects, ThO-GdO, Thorium dioxide, UO-GdO, Uranium dioxide, X-ray diffraction",

author = "Angela Baena and Thomas Cardinaels and Kevin Govers and Janne Pakarinen and Koen Binnemans and Marc Verwerft",

note = "Publisher Copyright: {\textcopyright}2015 Published by Elsevier B.V.",

year = "2015",

month = dec,

day = "1",

doi = "10.1016/j.jnucmat.2015.09.018",

language = "English",

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journal = "Journal of Nuclear Materials",

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TY - JOUR

T1 - Lattice contraction and lattice deformation of UO2 and ThO2 doped with Gd2O3

AU - Baena, Angela

AU - Cardinaels, Thomas

AU - Govers, Kevin

AU - Pakarinen, Janne

AU - Binnemans, Koen

AU - Verwerft, Marc

PY - 2015/12/1

Y1 - 2015/12/1

N2 - The lattice deformations in two doped fluorite systems, (U1-xGdx)O2.00 and (Th1-xGdx)O2-x/2, have been reassessed by precise X-ray and electron diffraction investigations and the results were interpreted using the Bond Valence Sum (BVS) approach. For the (U1-xGdx)O2.00 system, the experimental findings and theoretical assessment confirm earlier work: the lattice keeps its fluorite structure with a unit cell parameter that contracts linearly with dopant concentration. The lattice contraction in the (Th1-xGdx)O2-x/2 system has for the first time been analyzed up to the solubility limit. Similar as for (U1-xGdx)O2.00, the (Th1-xGdx)O2-x/2 solid solution contracts linearly as a function of dopant concentration but additionally, it develops a superstructure which is closely related to the parent fluorite structure. An excess anion bixbyite trial model is proposed to describe this superstructure.

AB - The lattice deformations in two doped fluorite systems, (U1-xGdx)O2.00 and (Th1-xGdx)O2-x/2, have been reassessed by precise X-ray and electron diffraction investigations and the results were interpreted using the Bond Valence Sum (BVS) approach. For the (U1-xGdx)O2.00 system, the experimental findings and theoretical assessment confirm earlier work: the lattice keeps its fluorite structure with a unit cell parameter that contracts linearly with dopant concentration. The lattice contraction in the (Th1-xGdx)O2-x/2 system has for the first time been analyzed up to the solubility limit. Similar as for (U1-xGdx)O2.00, the (Th1-xGdx)O2-x/2 solid solution contracts linearly as a function of dopant concentration but additionally, it develops a superstructure which is closely related to the parent fluorite structure. An excess anion bixbyite trial model is proposed to describe this superstructure.

KW - Bixbyite structure

KW - Bond Valence Sum

KW - Condensed matter

KW - Diffuse scattering

KW - Electron diffraction

KW - Fluorite structure

KW - Gadolinium sesquioxide

KW - Solid solutions

KW - Structure defects

KW - ThO-GdO

KW - Thorium dioxide

KW - UO-GdO

KW - Uranium dioxide

KW - X-ray diffraction

UR - https://www.scopus.com/pages/publications/84942323737

U2 - 10.1016/j.jnucmat.2015.09.018

DO - 10.1016/j.jnucmat.2015.09.018

M3 - Article

AN - SCOPUS:84942323737

SN - 0022-3115

VL - 467

SP - 135

EP - 143

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

ER -

Lattice contraction and lattice deformation of UO₂ and ThO₂ doped with Gd₂O₃

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Keywords

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