title: Crystal Structure of the ZrO Phase at Zirconium/Zirconium Oxide Interfaces.
abstract: Zirconium-based alloys are used in water-cooled nuclear reactors for both nuclear fuel cladding and structural components. Under this harsh environment, the main factor limiting the service life of zirconium cladding, and hence fuel burn-up efficiency, is water corrosion. This oxidation process has recently been linked to the presence of a sub-oxide phase with well-defined composition but unknown structure at the metal-oxide interface. In this paper, the combination of first-principles materials modeling and high-resolution electron microscopy is used to identify the structure of this sub-oxide phase, bringing us a step closer to developing strategies to mitigate aqueous oxidation in Zr alloys and prolong the operational lifetime of commercial fuel cladding alloys.
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Rebecca J
authors.initials: RJ
authors.lastname: Nicholls
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Na
authors.initials: N
authors.lastname: Ni
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Sergio
authors.initials: S
authors.lastname: Lozano-Perez
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Andrew
authors.initials: A
authors.lastname: London
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: David W
authors.initials: DW
authors.lastname: McComb
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Peter D
authors.initials: PD
authors.lastname: Nellist
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Chris Rm
authors.initials: CR
authors.lastname: Grovenor
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Chris J
authors.initials: CJ
authors.lastname: Pickard
authors.affiliation: Dr. R. J. Nicholls, Dr. S. Lozano-Perez, A. London, Prof. P. D. Nellist, Prof. C. R. M. Grovenor, Dr. J. R. Yates, Department of Materials, University of Oxford Parks Road, Oxford, OX1 3PH, UK.
authors.forename: Jonathan R
authors.initials: JR
authors.lastname: Yates