Defect accumulation in swift heavy ion-irradiated CeO2 and ThO2

Raul I. Palomares; Jacob Shamblin; Cameron L. Tracy; Joerg Neuefeind; Rodney C. Ewing; Christina Trautmann; Maik Lang

doi:10.1039/c7ta02640d

Defect accumulation in swift heavy ion-irradiated CeO₂ and ThO₂

Raul I. Palomares, Jacob Shamblin, Cameron L. Tracy, Joerg Neuefeind, Rodney C. Ewing, Christina Trautmann, Maik Lang

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Abstract

Neutron total scattering was used to investigate defect accumulation mechanisms in CeO₂ and ThO₂ irradiated with 2.2 GeV Au ions. Pair distribution function (PDF) analysis was applied to characterize the local structural evolution and irradiation-induced defects as a function of irradiation fluence. CeO₂ exhibits a greater amount of disorder than ThO₂ under the same irradiation conditions. The local structures of the two materials evolve differently as a function of ion fluence, even if similar defects are produced. The PDF analysis indicates that oxygen dimer and/or peroxide defects with 〈O-O〉 distances of ∼1.45 Å are formed in CeO₂, while irradiation-induced defects in ThO₂ result in a change in the mean O-Th-O bond angle and a distortion of local ThO₈ polyhedra. Understanding how bound oxygen defects, such as peroxide, affect bulk oxygen transport in CeO₂ will aid in better predicting and improving properties of fluorite structure materials for fast ion conductor applications.

Original language	English
Pages (from-to)	12193-12201
Number of pages	9
Journal	Journal of Materials Chemistry A
Volume	5
Issue number	24
DOIs	https://doi.org/10.1039/c7ta02640d
State	Published - 2017
Externally published	Yes

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title = "Defect accumulation in swift heavy ion-irradiated CeO2 and ThO2",

abstract = "Neutron total scattering was used to investigate defect accumulation mechanisms in CeO2 and ThO2 irradiated with 2.2 GeV Au ions. Pair distribution function (PDF) analysis was applied to characterize the local structural evolution and irradiation-induced defects as a function of irradiation fluence. CeO2 exhibits a greater amount of disorder than ThO2 under the same irradiation conditions. The local structures of the two materials evolve differently as a function of ion fluence, even if similar defects are produced. The PDF analysis indicates that oxygen dimer and/or peroxide defects with 〈O-O〉 distances of ∼1.45 {\AA} are formed in CeO2, while irradiation-induced defects in ThO2 result in a change in the mean O-Th-O bond angle and a distortion of local ThO8 polyhedra. Understanding how bound oxygen defects, such as peroxide, affect bulk oxygen transport in CeO2 will aid in better predicting and improving properties of fluorite structure materials for fast ion conductor applications.",

author = "Palomares, {Raul I.} and Jacob Shamblin and Tracy, {Cameron L.} and Joerg Neuefeind and Ewing, {Rodney C.} and Christina Trautmann and Maik Lang",

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T1 - Defect accumulation in swift heavy ion-irradiated CeO2 and ThO2

AU - Palomares, Raul I.

AU - Shamblin, Jacob

AU - Tracy, Cameron L.

AU - Neuefeind, Joerg

AU - Ewing, Rodney C.

AU - Trautmann, Christina

AU - Lang, Maik

PY - 2017

Y1 - 2017

N2 - Neutron total scattering was used to investigate defect accumulation mechanisms in CeO2 and ThO2 irradiated with 2.2 GeV Au ions. Pair distribution function (PDF) analysis was applied to characterize the local structural evolution and irradiation-induced defects as a function of irradiation fluence. CeO2 exhibits a greater amount of disorder than ThO2 under the same irradiation conditions. The local structures of the two materials evolve differently as a function of ion fluence, even if similar defects are produced. The PDF analysis indicates that oxygen dimer and/or peroxide defects with 〈O-O〉 distances of ∼1.45 Å are formed in CeO2, while irradiation-induced defects in ThO2 result in a change in the mean O-Th-O bond angle and a distortion of local ThO8 polyhedra. Understanding how bound oxygen defects, such as peroxide, affect bulk oxygen transport in CeO2 will aid in better predicting and improving properties of fluorite structure materials for fast ion conductor applications.

AB - Neutron total scattering was used to investigate defect accumulation mechanisms in CeO2 and ThO2 irradiated with 2.2 GeV Au ions. Pair distribution function (PDF) analysis was applied to characterize the local structural evolution and irradiation-induced defects as a function of irradiation fluence. CeO2 exhibits a greater amount of disorder than ThO2 under the same irradiation conditions. The local structures of the two materials evolve differently as a function of ion fluence, even if similar defects are produced. The PDF analysis indicates that oxygen dimer and/or peroxide defects with 〈O-O〉 distances of ∼1.45 Å are formed in CeO2, while irradiation-induced defects in ThO2 result in a change in the mean O-Th-O bond angle and a distortion of local ThO8 polyhedra. Understanding how bound oxygen defects, such as peroxide, affect bulk oxygen transport in CeO2 will aid in better predicting and improving properties of fluorite structure materials for fast ion conductor applications.

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Defect accumulation in swift heavy ion-irradiated CeO₂ and ThO₂

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