Energetics of defect production in fluorite-structured CeO 2 induced by highly ionizing radiation

Shelyug, A.; Palomares, R. I.; Lang, M.; Navrotsky, A.

doi:10.1103/PhysRevMaterials.2.093607

Title: Energetics of defect production in fluorite-structured ${CeO}_{2}$ induced by highly ionizing radiation

Authors:: Shelyug, A.; Palomares, R. I.; Lang, M.; Navrotsky, A.

Publication Date:: Wed Sep 19 00:00:00 EDT 2018

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1471437

Grant/Contract Number:: SC0001089; AC02-06CH11357; NA-0002006

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 9; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Shelyug, A., Palomares, R. I., Lang, M., and Navrotsky, A. Energetics of defect production in fluorite-structured CeO 2 induced by highly ionizing radiation.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevMaterials.2.093607.

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                    Shelyug, A., Palomares, R. I., Lang, M., & Navrotsky, A. Energetics of defect production in fluorite-structured CeO 2 induced by highly ionizing radiation.  United States.  https://doi.org/10.1103/PhysRevMaterials.2.093607

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                    Shelyug, A., Palomares, R. I., Lang, M., and Navrotsky, A. Wed .  
"Energetics of defect production in fluorite-structured CeO 2 induced by highly ionizing radiation".  United States.  https://doi.org/10.1103/PhysRevMaterials.2.093607.

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@article{osti_1471437,

  title        = {Energetics of defect production in fluorite-structured CeO 2 induced by highly ionizing radiation},

  author       = {Shelyug, A. and Palomares, R. I. and Lang, M. and Navrotsky, A.},

  abstractNote = {},

  doi          = {10.1103/PhysRevMaterials.2.093607},

  journal      = {Physical Review Materials},

  number       = 9,

  volume       = 2,

  place        = {United States},

  year         = {Wed Sep 19 00:00:00 EDT 2018},

  month        = {Wed Sep 19 00:00:00 EDT 2018}

}

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Title: Energetics of defect production in fluorite-structured CeO 2 induced by highly ionizing radiation

Citation Formats

Defect accumulation in ThO2 irradiated with swift heavy ions journal, May 2014

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Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal, September 1976

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Radiation tolerance of fluorite-structured oxides subjected to swift heavy ion irradiation journal, May 2009

Grain size effects on irradiated CeO2, ThO2, and UO2 journal, November 2018

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A Coulomb explosion theoretical model of femtosecond laser ablation materials journal, December 2011

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SRIM – The stopping and range of ions in matter (2010) journal, June 2010

Making tracks: electronic excitation roles in forming swift heavy ion tracks journal, November 2009

Radiation Tolerance of Complex Oxides journal, August 2000

Role of surface peroxo and superoxo species in the low-temperature oxygen buffering of ceria: Density functional theory calculations journal, February 2007

Progress and new directions in high temperature calorimetry revisited journal, April 1997

Accommodation of excess oxygen in fluorite dioxides journal, December 2013

Effect of grain size and microstructure on radiation stability of CeO 2 : an extensive study journal, January 2014

Quantum Origin of the Oxygen Storage Capability of Ceria journal, September 2002

Lattice distortions and oxygen vacancies produced in Au+-irradiated nanocrystalline cubic zirconia journal, October 2011

First-principles study on cerium ion behavior in irradiated cerium dioxide journal, September 2009

Some recent developments in the characterization of ceria-based catalysts journal, July 2001

Effect of ion velocity on creation of point defects halos of latent tracks in LiF journal, September 2017

The high burn-up structure in nuclear fuel journal, December 2010

Direct Measurement of Surface Energy of CeO2 by Differential Scanning Calorimetry journal, September 2011

Size dependency variation in lattice parameter and valency states in nanocrystalline cerium oxide journal, September 2005

In situ defect annealing of swift heavy ion irradiated CeO 2 and ThO 2 using synchrotron X-ray diffraction and a hydrothermal diamond anvil cell journal, April 2015

Study of CeO 2 and Its Native Defects by Density Functional Theory with Repulsive Potential journal, October 2014

Alpha-irradiation damage in CeO 2 , UO 2 and PuO 2 journal, January 1984

Binomial distribution function for intuitive understanding of fluence dependence of non-amorphized ion-track area journal, October 2010

Coulomb Explosion and Thermal Spikes journal, April 2002

Nanoscale phase transitions under extreme conditions within an ion track journal, July 2010

Dynamic annealing of defects in irradiated zirconia-based ceramics journal, March 2008

Radiation stability of fluorite-type nuclear oxides journal, June 2008

Characterization of swift heavy ion irradiation damage in ceria journal, March 2015

Understanding Ceria Nanoparticles from First-Principles Calculations journal, July 2007

Redox Behavior of High-Surface-Area Rh-, Pt-, and Pd-Loaded Ce0.5Zr0.5O2Mixed Oxide journal, February 1999

Lattice Defects and Oxygen Storage Capacity of Nanocrystalline Ceria and Ceria-Zirconia journal, November 2000

Redox response of actinide materials to highly ionizing radiation journal, January 2015

Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment journal, December 2012

Analysis of Intrinsic Defects in CeO 2 Using a Koopmans-Like GGA+ U Approach journal, November 2011

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal, July 2007

Thermodynamic and structural evolution of Dy2Ti2O7 pyrochlore after swift heavy ion irradiation journal, February 2018

Electron Localization Determines Defect Formation on Ceria Substrates journal, July 2005

Progress and new directions in high temperature calorimetry journal, January 1977

Molecular Dynamics Simulation of Fission Fragment Damage in Nuclear Fuel and Surrogate Material journal, January 2017

Progress and New Directions in Calorimetry: A 2014 Perspective journal, October 2014

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Raman scattering in uranium dioxide journal, August 1966

Atomic structure of ion tracks in Ceria journal, May 2014

Size dependent oxygen buffering capacity of ceria nanocrystals journal, January 2010

Ab initio analysis of the defect structure of ceria journal, April 2013

Adsorption of Gases in Multimolecular Layers journal, February 1938

Ordering of oxygen vacancies and excess charge localization in bulk ceria: A DFT + U study journal, September 2014

Energetics of stepwise disordering transformation in pyrochlores, RE2Ti2O7 (RE=Y, Gd and Dy) journal, June 2012

Oxygen defects created in CeO2 irradiated with 200MeV Au ions journal, March 2009

Damage creation via electronic excitations in metallic targets part II : A theoretical model journal, March 1993

Ab initio molecular dynamics simulations of low-energy recoil events in ThO 2 , CeO 2 , and ZrO 2 journal, August 2012

Ceria and Its Defect Structure: New Insights from a Combined Spectroscopic Approach journal, March 2016

Defect accumulation in swift heavy ion-irradiated CeO 2 and ThO 2 journal, January 2017

Thermal annealing of natural, radiation-damaged pyrochlore journal, January 2017

Stability and migration of charged oxygen interstitials in ThO2 and CeO2 journal, December 2013

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Heavy ion carcinogenesis and human space exploration journal, May 2008

Nanoscale Manipulation of Pyrochlore: New Nanocomposite Ionic Conductors journal, September 2001

Title: Energetics of defect production in fluorite-structured ${CeO}_{2}$ induced by highly ionizing radiation

Defect accumulation in ThO2 irradiated with swift heavy ions
journal, May 2014

First-principles computational study of defect clustering in solid solutions of ${ThO}_{2}$ with trivalent oxides
journal, November 2010

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Nuclear track irradiations at GSI
journal, June 1980

Change in magnetic properties induced by swift heavy ion irradiation in CeO2
journal, September 2012

Raman and x‐ray studies of Ce _{1− x} RE _x O _{2− y} , where RE=La, Pr, Nd, Eu, Gd, and Tb
journal, August 1994

Recovery and restructuring induced by fission energy ions in high burnup nuclear fuel
journal, March 2009

Energetics of radiation damage in natural zircon (ZrSiO4)
journal, July 1994

GSAS-II : the genesis of a modern open-source all purpose crystallography software package
journal, March 2013

Swift heavy ions in magnetic insulators: A damage-cross-section velocity effect
journal, July 1993

Radiation tolerance of fluorite-structured oxides subjected to swift heavy ion irradiation
journal, May 2009

Grain size effects on irradiated CeO2, ThO2, and UO2
journal, November 2018

Lattice strain in irradiated materials unveils a prevalent defect evolution mechanism
journal, January 2018

A Coulomb explosion theoretical model of femtosecond laser ablation materials
journal, December 2011

Applicability of CeO2 as a surrogate for PuO2 in a MOX fuel development
journal, August 2008

Reduced cerium oxide as an efficient and durable high temperature desulfurization sorbent
journal, November 2000

SRIM – The stopping and range of ions in matter (2010)
journal, June 2010

Making tracks: electronic excitation roles in forming swift heavy ion tracks
journal, November 2009

Radiation Tolerance of Complex Oxides
journal, August 2000

Role of surface peroxo and superoxo species in the low-temperature oxygen buffering of ceria: Density functional theory calculations
journal, February 2007

Progress and new directions in high temperature calorimetry revisited
journal, April 1997

Accommodation of excess oxygen in fluorite dioxides
journal, December 2013

Effect of grain size and microstructure on radiation stability of CeO ₂ : an extensive study
journal, January 2014

Quantum Origin of the Oxygen Storage Capability of Ceria
journal, September 2002

Lattice distortions and oxygen vacancies produced in Au+-irradiated nanocrystalline cubic zirconia
journal, October 2011

First-principles study on cerium ion behavior in irradiated cerium dioxide
journal, September 2009

Some recent developments in the characterization of ceria-based catalysts
journal, July 2001

Effect of ion velocity on creation of point defects halos of latent tracks in LiF
journal, September 2017

The high burn-up structure in nuclear fuel
journal, December 2010

Direct Measurement of Surface Energy of CeO2 by Differential Scanning Calorimetry
journal, September 2011

Size dependency variation in lattice parameter and valency states in nanocrystalline cerium oxide
journal, September 2005

In situ defect annealing of swift heavy ion irradiated CeO ₂ and ThO ₂ using synchrotron X-ray diffraction and a hydrothermal diamond anvil cell
journal, April 2015

Study of CeO ₂ and Its Native Defects by Density Functional Theory with Repulsive Potential
journal, October 2014

Alpha-irradiation damage in CeO ₂ , UO ₂ and PuO ₂
journal, January 1984

Binomial distribution function for intuitive understanding of fluence dependence of non-amorphized ion-track area
journal, October 2010

Coulomb Explosion and Thermal Spikes
journal, April 2002

Nanoscale phase transitions under extreme conditions within an ion track
journal, July 2010

Dynamic annealing of defects in irradiated zirconia-based ceramics
journal, March 2008

Radiation stability of fluorite-type nuclear oxides
journal, June 2008

Characterization of swift heavy ion irradiation damage in ceria
journal, March 2015

Understanding Ceria Nanoparticles from First-Principles Calculations
journal, July 2007

Redox Behavior of High-Surface-Area Rh-, Pt-, and Pd-Loaded Ce0.5Zr0.5O2Mixed Oxide
journal, February 1999

Lattice Defects and Oxygen Storage Capacity of Nanocrystalline Ceria and Ceria-Zirconia
journal, November 2000

Redox response of actinide materials to highly ionizing radiation
journal, January 2015

Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment
journal, December 2012

Analysis of Intrinsic Defects in CeO ₂ Using a Koopmans-Like GGA+ U Approach
journal, November 2011

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
journal, July 2007

Thermodynamic and structural evolution of Dy2Ti2O7 pyrochlore after swift heavy ion irradiation
journal, February 2018

Electron Localization Determines Defect Formation on Ceria Substrates
journal, July 2005

Progress and new directions in high temperature calorimetry
journal, January 1977

Molecular Dynamics Simulation of Fission Fragment Damage in Nuclear Fuel and Surrogate Material
journal, January 2017

Progress and New Directions in Calorimetry: A 2014 Perspective
journal, October 2014

Interface Energies of Nanocrystalline Doped Ceria: Effects of Manganese Segregation
journal, November 2015

Raman scattering in uranium dioxide
journal, August 1966

Atomic structure of ion tracks in Ceria
journal, May 2014

Size dependent oxygen buffering capacity of ceria nanocrystals
journal, January 2010

Ab initio analysis of the defect structure of ceria
journal, April 2013

Adsorption of Gases in Multimolecular Layers
journal, February 1938

Ordering of oxygen vacancies and excess charge localization in bulk ceria: A $DFT + U$ study
journal, September 2014

Energetics of stepwise disordering transformation in pyrochlores, RE2Ti2O7 (RE=Y, Gd and Dy)
journal, June 2012

Oxygen defects created in CeO2 irradiated with 200MeV Au ions
journal, March 2009

Damage creation via electronic excitations in metallic targets part II : A theoretical model
journal, March 1993

Ab initio molecular dynamics simulations of low-energy recoil events in ThO $_{2}$ , CeO $_{2}$ , and ZrO $_{2}$
journal, August 2012

Ceria and Its Defect Structure: New Insights from a Combined Spectroscopic Approach
journal, March 2016

Defect accumulation in swift heavy ion-irradiated CeO ₂ and ThO ₂
journal, January 2017

Thermal annealing of natural, radiation-damaged pyrochlore
journal, January 2017

Stability and migration of charged oxygen interstitials in ThO2 and CeO2
journal, December 2013

Raman spectroscopy study of damage induced in cerium dioxide by swift heavy ion irradiations
journal, November 2017

Heavy ion carcinogenesis and human space exploration
journal, May 2008

Nanoscale Manipulation of Pyrochlore: New Nanocomposite Ionic Conductors
journal, September 2001