Journal
CORROSION SCIENCE
Volume 69, Issue -, Pages 1-4Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.corsci.2012.11.036
Keywords
Zirconium; Intermetallics; Hydrogen absorption
Funding
- EPSRC
- ANSTO
- UK-MOD
- EDF Energy
- Engineering and Physical Sciences Research Council [1167319] Funding Source: researchfish
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Ab-initio computer simulations have been used to predict the energies associated with the accommodation of H atoms at interstitial sites in alpha,beta-Zr and Zr-M intermetallics formed with common alloying additions (M = Cr, Fe, Ni). Intermetallics that relate to the Zr-2(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 Zr-2(Ni,Fe)-type particles will trap the migrating H until these are dissolved or fully oxidised. (C) 2012 Elsevier Ltd. All rights reserved.
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