Energetics of defect production in fluorite-structured CeO2 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

Journal Article · Sat Sep 01 00:00:00 EDT 2018 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.2.093607· OSTI ID:1541402

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

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA); Carnegie Inst. of Washington, Washington, DC (United States); Univ. of Notre Dame, IN (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

DOE Contract Number:: NA0002006; SC0001089; AC02-06CH11357

OSTI ID:: 1541402

Journal Information:: Physical Review Materials, Vol. 2, Issue 9; ISSN 2475-9953

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (70)

Radiation Tolerance of Complex Oxides Sickafus, K. E. Science, Vol. 289, Issue 5480 https://doi.org/10.1126/science.289.5480.748	journal	August 2000
Radiation stability of fluorite-type nuclear oxides Garrido, Frédérico; Vincent, Laetitia; Nowicki, Lech Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 266, Issue 12-13 https://doi.org/10.1016/j.nimb.2008.03.128	journal	June 2008
Radiation tolerance of fluorite-structured oxides subjected to swift heavy ion irradiation Garrido, Frédérico; Moll, Sandra; Sattonnay, Gaël Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 267, Issue 8-9 https://doi.org/10.1016/j.nimb.2009.01.070	journal	May 2009
Heavy ion carcinogenesis and human space exploration Durante, Marco; Cucinotta, Francis A. Nature Reviews Cancer, Vol. 8, Issue 6, p. 465-472 https://doi.org/10.1038/nrc2391	journal	May 2008
Coulomb Explosion and Thermal Spikes Bringa, E. M.; Johnson, R. E. Physical Review Letters, Vol. 88, Issue 16 https://doi.org/10.1103/PhysRevLett.88.165501	journal	April 2002
Damage creation via electronic excitations in metallic targets part II : A theoretical model Lesueur, D.; Dunlop, A. Radiation Effects and Defects in Solids, Vol. 126, Issue 1-4 https://doi.org/10.1080/10420159308219701	journal	March 1993
A Coulomb explosion theoretical model of femtosecond laser ablation materials Lin, XiaoHui; Chen, HaiQuan; Jiang, ShuYun Science China Technological Sciences, Vol. 55, Issue 3 https://doi.org/10.1007/s11431-011-4702-8	journal	December 2011
Nanoscale phase transitions under extreme conditions within an ion track Zhang, Jiaming; Lang, Maik; Ewing, Rodney C. Journal of Materials Research, Vol. 25, Issue 7 https://doi.org/10.1557/JMR.2010.0180	journal	July 2010
Recovery and restructuring induced by fission energy ions in high burnup nuclear fuel Kinoshita, M.; Yasunaga, K.; Sonoda, T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 267, Issue 6 https://doi.org/10.1016/j.nimb.2009.02.022	journal	March 2009
First-principles computational study of defect clustering in solid solutions of ${ThO}_{2}$ with trivalent oxides Alexandrov, Vitaly; Grønbech-Jensen, Niels; Navrotsky, Alexandra Physical Review B, Vol. 82, Issue 17 https://doi.org/10.1103/PhysRevB.82.174115	journal	November 2010
Ordering of oxygen vacancies and excess charge localization in bulk ceria: A $DFT + U$ study Murgida, G. E.; Ferrari, V.; Ganduglia-Pirovano, M. Verónica Physical Review B, Vol. 90, Issue 11 https://doi.org/10.1103/PhysRevB.90.115120	journal	September 2014
The high burn-up structure in nuclear fuel Rondinella, Vincenzo V.; Wiss, Thierry Materials Today, Vol. 13, Issue 12 https://doi.org/10.1016/S1369-7021(10)70221-2	journal	December 2010
Lattice distortions and oxygen vacancies produced in Au+-irradiated nanocrystalline cubic zirconia Edmondson, Philip D.; Weber, William J.; Namavar, Fereydoon Scripta Materialia, Vol. 65, Issue 8 https://doi.org/10.1016/j.scriptamat.2011.07.010	journal	October 2011
Nanoscale Manipulation of Pyrochlore: New Nanocomposite Ionic Conductors Lian, J.; Wang, L. M.; Wang, S. X. Physical Review Letters, Vol. 87, Issue 14 https://doi.org/10.1103/PhysRevLett.87.145901	journal	September 2001
Redox response of actinide materials to highly ionizing radiation Tracy, Cameron L.; Lang, Maik; Pray, John M. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7133	journal	January 2015
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 Palomares, Raul I.; Tracy, Cameron L.; Zhang, Fuxiang Journal of Applied Crystallography, Vol. 48, Issue 3 https://doi.org/10.1107/S160057671500477X	journal	April 2015
Defect accumulation in swift heavy ion-irradiated CeO ₂ and ThO ₂ Palomares, Raul I.; Shamblin, Jacob; Tracy, Cameron L. Journal of Materials Chemistry A, Vol. 5, Issue 24 https://doi.org/10.1039/C7TA02640D	journal	January 2017
Energetics of radiation damage in natural zircon (ZrSiO4) Ellsworth, Susan; Navrotsky, Alexandra; Ewing, Rodney C. Physics and Chemistry of Minerals, Vol. 21, Issue 3 https://doi.org/10.1007/BF00203144	journal	July 1994
Energetics of stepwise disordering transformation in pyrochlores, RE2Ti2O7 (RE=Y, Gd and Dy) Hayun, Shmuel; Tran, Tien B.; Lian, Jie Acta Materialia, Vol. 60, Issue 10 https://doi.org/10.1016/j.actamat.2012.04.007	journal	June 2012
Thermal annealing of natural, radiation-damaged pyrochlore Zietlow, Peter; Beirau, Tobias; Mihailova, Boriana Zeitschrift für Kristallographie - Crystalline Materials, Vol. 232, Issue 1-3 https://doi.org/10.1515/zkri-2016-1965	journal	January 2017
Thermodynamic and structural evolution of Dy2Ti2O7 pyrochlore after swift heavy ion irradiation Chung, Cheng-Kai; Shamblin, Jacob; O'Quinn, Eric C. Acta Materialia, Vol. 145 https://doi.org/10.1016/j.actamat.2017.12.044	journal	February 2018
Applicability of CeO2 as a surrogate for PuO2 in a MOX fuel development Kim, Han Soo; Joung, Chang Yong; Lee, Byung Ho Journal of Nuclear Materials, Vol. 378, Issue 1 https://doi.org/10.1016/j.jnucmat.2008.05.003	journal	August 2008
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
Some recent developments in the characterization of ceria-based catalysts Trovarelli, Alessandro; Boaro, Marta; Rocchini, Eliana Journal of Alloys and Compounds, Vol. 323-324 https://doi.org/10.1016/S0925-8388(01)01181-1	journal	July 2001
Analysis of Intrinsic Defects in CeO ₂ Using a Koopmans-Like GGA+ U Approach Keating, Patrick R. L.; Scanlon, David O.; Morgan, Benjamin J. The Journal of Physical Chemistry C, Vol. 116, Issue 3 https://doi.org/10.1021/jp2080034	journal	November 2011
Ceria and Its Defect Structure: New Insights from a Combined Spectroscopic Approach Filtschew, Anastasia; Hofmann, Kathrin; Hess, Christian The Journal of Physical Chemistry C, Vol. 120, Issue 12 https://doi.org/10.1021/acs.jpcc.6b00959	journal	March 2016
Study of CeO ₂ and Its Native Defects by Density Functional Theory with Repulsive Potential Huang, Bolong; Gillen, Roland; Robertson, John The Journal of Physical Chemistry C, Vol. 118, Issue 42 https://doi.org/10.1021/jp506625h	journal	October 2014
Ab initio analysis of the defect structure of ceria Zacherle, T.; Schriever, A.; De Souza, R. A. Physical Review B, Vol. 87, Issue 13 https://doi.org/10.1103/PhysRevB.87.134104	journal	April 2013
Lattice Defects and Oxygen Storage Capacity of Nanocrystalline Ceria and Ceria-Zirconia Mamontov, E.; Egami, T.; Brezny, R. The Journal of Physical Chemistry B, Vol. 104, Issue 47 https://doi.org/10.1021/jp0023011	journal	November 2000
Size dependency variation in lattice parameter and valency states in nanocrystalline cerium oxide Deshpande, Sameer; Patil, Swanand; Kuchibhatla, Satyanarayana VNT Applied Physics Letters, Vol. 87, Issue 13 https://doi.org/10.1063/1.2061873	journal	September 2005
Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment Paier, Joachim; Penschke, Christopher; Sauer, Joachim Chemical Reviews, Vol. 113, Issue 6 https://doi.org/10.1021/cr3004949	journal	December 2012
Dynamic annealing of defects in irradiated zirconia-based ceramics Devanathan, Ram; Weber, William J. Journal of Materials Research, Vol. 23, Issue 3 https://doi.org/10.1557/JMR.2008.0104	journal	March 2008
Size dependent oxygen buffering capacity of ceria nanocrystals Xu, Jiahui; Harmer, Jeffrey; Li, Guoqiang Chemical Communications, Vol. 46, Issue 11 https://doi.org/10.1039/b923780a	journal	January 2010
Understanding Ceria Nanoparticles from First-Principles Calculations Loschen, Christoph; Bromley, Stefan T.; Neyman, Konstantin M. The Journal of Physical Chemistry C, Vol. 111, Issue 28 https://doi.org/10.1021/jp072787m	journal	July 2007
Role of surface peroxo and superoxo species in the low-temperature oxygen buffering of ceria: Density functional theory calculations Huang, Min; Fabris, Stefano Physical Review B, Vol. 75, Issue 8 https://doi.org/10.1103/PhysRevB.75.081404	journal	February 2007
Quantum Origin of the Oxygen Storage Capability of Ceria Skorodumova, N. V.; Simak, S. I.; Lundqvist, B. I. Physical Review Letters, Vol. 89, Issue 16 https://doi.org/10.1103/PhysRevLett.89.166601	journal	September 2002
Electron Localization Determines Defect Formation on Ceria Substrates Esch, F. Science, Vol. 309, Issue 5735 https://doi.org/10.1126/science.1111568	journal	July 2005
Nuclear track irradiations at GSI Spohr, Reimar Nuclear Tracks, Vol. 4, Issue 2 https://doi.org/10.1016/0191-278X(80)90019-0	journal	June 1980
SRIM – The stopping and range of ions in matter (2010) Ziegler, James F.; Ziegler, M. D.; Biersack, J. P. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 11-12 https://doi.org/10.1016/j.nimb.2010.02.091	journal	June 2010
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Farrow, C. L.; Juhas, P.; Liu, J. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335219	journal	July 2007
Adsorption of Gases in Multimolecular Layers Brunauer, Stephen; Emmett, P. H.; Teller, Edward Journal of the American Chemical Society, Vol. 60, Issue 2, p. 309-319 https://doi.org/10.1021/ja01269a023	journal	February 1938
Progress and new directions in high temperature calorimetry Navrotsky, Alexandra Physics and Chemistry of Minerals, Vol. 2, Issue 1-2 https://doi.org/10.1007/BF00307526	journal	January 1977
Progress and new directions in high temperature calorimetry revisited Navrotsky, Alexandra Physics and Chemistry of Minerals, Vol. 24, Issue 3 https://doi.org/10.1007/s002690050035	journal	April 1997
Progress and New Directions in Calorimetry: A 2014 Perspective Navrotsky, Alexandra Journal of the American Ceramic Society, Vol. 97, Issue 11 https://doi.org/10.1111/jace.13278	journal	October 2014
Interface Energies of Nanocrystalline Doped Ceria: Effects of Manganese Segregation Wu, Longjia; Aguiar, Jeffery A.; Dholabhai, Pratik P. The Journal of Physical Chemistry C, Vol. 119, Issue 49 https://doi.org/10.1021/acs.jpcc.5b09255	journal	November 2015
Change in magnetic properties induced by swift heavy ion irradiation in CeO2 Shimizu, K.; Kosugi, S.; Tahara, Y. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 286 https://doi.org/10.1016/j.nimb.2012.01.008	journal	September 2012
Reduced cerium oxide as an efficient and durable high temperature desulfurization sorbent Zeng, Y.; Kaytakoglu, S.; Harrison, D. P. Chemical Engineering Science, Vol. 55, Issue 21 https://doi.org/10.1016/S0009-2509(00)00117-2	journal	November 2000
Grain size effects on irradiated CeO2, ThO2, and UO2 Cureton, William F.; Palomares, Raul I.; Walters, Jeffrey Acta Materialia, Vol. 160 https://doi.org/10.1016/j.actamat.2018.08.040	journal	November 2018
Accommodation of excess oxygen in fluorite dioxides Middleburgh, S. C.; Lumpkin, G. R.; Grimes, R. W. Solid State Ionics, Vol. 253 https://doi.org/10.1016/j.ssi.2013.09.020	journal	December 2013
Characterization of swift heavy ion irradiation damage in ceria Yablinsky, Clarissa A.; Devanathan, Ram; Pakarinen, Janne Journal of Materials Research, Vol. 30, Issue 9 https://doi.org/10.1557/jmr.2015.43	journal	March 2015
Stability and migration of charged oxygen interstitials in ThO2 and CeO2 Xiao, H. Y.; Zhang, Y.; Weber, W. J. Acta Materialia, Vol. 61, Issue 20 https://doi.org/10.1016/j.actamat.2013.09.001	journal	December 2013
First-principles study on cerium ion behavior in irradiated cerium dioxide Iwasawa, Misako; Ohnuma, Toshiharu; Chen, Ying Journal of Nuclear Materials, Vol. 393, Issue 2 https://doi.org/10.1016/j.jnucmat.2009.06.026	journal	September 2009
Raman scattering in uranium dioxide Marlow, P. G.; Russell, J. P.; Hardy, J. R. Philosophical Magazine, Vol. 14, Issue 128 https://doi.org/10.1080/14786436608219022	journal	August 1966
Effect of grain size and microstructure on radiation stability of CeO ₂ : an extensive study Grover, V.; Shukla, R.; Kumari, Renu Phys. Chem. Chem. Phys., Vol. 16, Issue 48 https://doi.org/10.1039/C4CP04215H	journal	January 2014
Oxygen defects created in CeO2 irradiated with 200MeV Au ions Ohhara, K.; Ishikawa, N.; Sakai, S. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 267, Issue 6 https://doi.org/10.1016/j.nimb.2009.02.034	journal	March 2009
Raman and x‐ray studies of Ce _{1− x} RE _x O _{2− y} , where RE=La, Pr, Nd, Eu, Gd, and Tb McBride, J. R.; Hass, K. C.; Poindexter, B. D. Journal of Applied Physics, Vol. 76, Issue 4 https://doi.org/10.1063/1.357593	journal	August 1994
Redox Behavior of High-Surface-Area Rh-, Pt-, and Pd-Loaded Ce0.5Zr0.5O2Mixed Oxide Fornasiero, Paolo; Kašpar, Jan; Sergo, Valter Journal of Catalysis, Vol. 182, Issue 1 https://doi.org/10.1006/jcat.1998.2321	journal	February 1999
Defect accumulation in ThO2 irradiated with swift heavy ions Tracy, Cameron L.; McLain Pray, J.; Lang, Maik Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 326 https://doi.org/10.1016/j.nimb.2013.08.070	journal	May 2014
Atomic structure of ion tracks in Ceria Takaki, S.; Yasuda, K.; Yamamoto, T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 326 https://doi.org/10.1016/j.nimb.2013.10.077	journal	May 2014
Binomial distribution function for intuitive understanding of fluence dependence of non-amorphized ion-track area Ishikawa, N.; Ohhara, K.; Ohta, Y. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 19 https://doi.org/10.1016/j.nimb.2010.06.006	journal	October 2010
Alpha-irradiation damage in CeO ₂ , UO ₂ and PuO ₂ Weber, W. J. Radiation Effects, Vol. 83, Issue 1-2 https://doi.org/10.1080/00337578408215798	journal	January 1984
Ab initio molecular dynamics simulations of low-energy recoil events in ThO $_{2}$ , CeO $_{2}$ , and ZrO $_{2}$ Xiao, H. Y.; Zhang, Y.; Weber, W. J. Physical Review B, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevB.86.054109	journal	August 2012
Direct Measurement of Surface Energy of CeO2 by Differential Scanning Calorimetry Hayun, Shmuel; Ushakov, Sergey V.; Navrotsky, Alexandra Journal of the American Ceramic Society, Vol. 94, Issue 11 https://doi.org/10.1111/j.1551-2916.2011.04843.x	journal	September 2011
Molecular Dynamics Simulation of Fission Fragment Damage in Nuclear Fuel and Surrogate Material Devanathan, Ram MRS Advances, Vol. 2, Issue 21-22 https://doi.org/10.1557/adv.2017.9	journal	January 2017
Making tracks: electronic excitation roles in forming swift heavy ion tracks Itoh, N.; Duffy, D. M.; Khakshouri, S. Journal of Physics: Condensed Matter, Vol. 21, Issue 47 https://doi.org/10.1088/0953-8984/21/47/474205	journal	November 2009
Raman spectroscopy study of damage induced in cerium dioxide by swift heavy ion irradiations Costantini, Jean-Marc; Miro, Sandrine; Gutierrez, Gaëlle Journal of Applied Physics, Vol. 122, Issue 20 https://doi.org/10.1063/1.5011165	journal	November 2017
Swift heavy ions in magnetic insulators: A damage-cross-section velocity effect Meftah, A.; Brisard, F.; Costantini, J. M. Physical Review B, Vol. 48, Issue 2 https://doi.org/10.1103/PhysRevB.48.920	journal	July 1993
Lattice strain in irradiated materials unveils a prevalent defect evolution mechanism Debelle, Aurélien; Crocombette, Jean-Paul; Boulle, Alexandre Physical Review Materials, Vol. 2, Issue 1 https://doi.org/10.1103/PhysRevMaterials.2.013604	journal	January 2018
Effect of ion velocity on creation of point defects halos of latent tracks in LiF Volkov, A. E.; Schwartz, K.; Medvedev, N. A. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 407 https://doi.org/10.1016/j.nimb.2017.05.065	journal	September 2017

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