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dc.contributor.authorBurr, PA-
dc.contributor.authorWenman, MR-
dc.contributor.authorGault, B-
dc.contributor.authorMoody, MP-
dc.contributor.authorIvermark, M-
dc.contributor.authorRushton, MJD-
dc.contributor.authorPreuss, M-
dc.contributor.authorEdwards, L-
dc.contributor.authorGrimes, RW-
dc.identifier.citationBurr, P. A., Wenman, M. R., Gault, B., Moody, M. P., Ivermark, M., Rushton, M. J. D., Preuss, M., Edwards, L. & Grimes, R. W. (2015). From solid solution to cluster formation of Fe and Cr in α-Zr. Journal of Nuclear Materials, 467, 320-331. doi:10.1016/j.jnucmat.2015.10.001en_AU
dc.description.abstractTo understand the mechanisms by which the re-solution of Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, the solubility and clustering of Fe and Cr in model binary Zr alloys was investigated using a combination of experimental and modelling techniques — atom probe tomography (APT), x-ray diffraction (XRD), thermoelectric power (TEP) and density functional theory (DFT). Cr occupies both interstitial and substitutional sites in the α-Zr lattice; Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of Fe and Cr content in the α-Zr matrix deviates from Vegard's law and is strongly anisotropic for Fe additions, expanding the c-axis while contracting the a-axis. Matrix content of solutes cannot be reliably estimated from lattice parameter measurements, instead a combination of TEP and APT was employed. Defect clusters form at higher solution concentrations, which induce a smaller lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased apparent solubility of defect clusters; the implications for irradiation induced microstructure changes in Zr alloys are discussed. © 2015 Elsevier B.V.en_AU
dc.publisherElsevier B.V.en_AU
dc.subjectX-ray diffractionen_AU
dc.subjectThermoelectric reactorsen_AU
dc.subjectDensity functional methoden_AU
dc.subjectVegard Lawen_AU
dc.titleFrom solid solution to cluster formation of Fe and Cr in α-Zren_AU
dc.typeJournal Articleen_AU
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