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dc.contributor.authorBurr, PA-
dc.contributor.authorMurphy, ST-
dc.contributor.authorLumley, SC-
dc.contributor.authorWenman, MR-
dc.contributor.authorGrimes, RW-
dc.identifier.citationBurr, P. A., Murphy, S. T., Lumley, S. C., Wenman, M. R., & Grimes, R. W. (2013). Hydrogen accommodation in Zr second phase particles: Implications for H pick-up and hydriding of Zircaloy-2 and Zircaloy-4. Corrosion Science, 69(0), 1-4. doi:10.1016/j.corsci.2012.11.036en_AU
dc.description.abstractAb-initio computer simulations have been used to predict the energies associated with the accommodation of H atoms at interstitial sites in α, β-Zr and Zr–M intermetallics formed with common alloying additions (M = Cr, Fe, Ni). Intermetallics that relate to the Zr2(Ni,Fe) second phase particles (SPPs) found in Zircaloy-2 exhibit favourable solution enthalpies for H. The intermetallic phases that relate to the Zr(Cr,Fe)2 SPPs, found predominantly in Zircaloy-4, do not offer favourable sites for interstitial H. It is proposed that Zr(Cr,Fe)2 particles may act as bridges for the migration of H through the oxide layer, whilst the Zr2(Ni,Fe)-type particles will trap the migrating H until these are dissolved or fully oxidised. © 2012, Elsevier Ltd.en_AU
dc.subjectNuclear fuelsen_AU
dc.titleHydrogen accommodation in Zr second phase particles: implications for H pick-up and hydriding of zircaloy-2 and zircaloy-4en_AU
dc.typeJournal Articleen_AU
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