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Title: Hydrogen accommodation in Zr second phase particles: implications for H pick-up and hydriding of zircaloy-2 and zircaloy-4
Authors: Burr, PA
Murphy, ST
Lumley, SC
Wenman, MR
Grimes, RW
Keywords: Zirconium
Nuclear fuels
Issue Date: 1-Apr-2013
Publisher: Elsevier
Citation: Burr, 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.2012.11.036
Abstract: Ab-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.
Gov't Doc #: 6072
ISSN: 0010-938X
Appears in Collections:Journal Articles

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