First-principles comparative study of UN and Zr corrosion
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DOI: 10.1016/j.jnucmat.2019.06.017
Abstract: Abstract We studied surface corrosion effects on Zr and UN using first-principles density functional theory-based calculations. We focused on the energetics of Zr (1000), UN (100) and UN (110) surfaces, exposed to water and oxygen.… read more here.
Keywords: surface; comparative study; principles comparative; first principles ... See more keywords