Segregation of ruthenium to edge dislocations in uranium dioxide

Anuj Goyal, Thomas Rudzik, Bowen Deng, Minki Hong, Aleksandr Chernatynskiy, Susan B. Sinnott, Simon R. Phillpot

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

Atomic-level simulation methods are used to determine the interaction of a metallic fission product, Ru4+, with the core of a o/2〈1 1 0〉{1 1 0} and ao/2〈1 1 0〉{0 0 1} edge dislocations in UO2, experimentally the most active slip systems. Specifically, the segregation behavior of Ru4+ is examined at the cationic substitution site; comparisons are made with both continuum-elastic results and with the results of atomistic simulations on strained single crystals. The results on strained single crystals suggest that segregation behavior is a strong function of the elastic strain field around the detailed atomic structure at the dislocation core. Furthermore, the segregation is affected by the orientation of the dislocation and electrostatic interactions at the atomic defect site.

Original languageEnglish (US)
Pages (from-to)96-102
Number of pages7
JournalJournal of Nuclear Materials
Volume441
Issue number1-3
DOIs
StatePublished - Jun 24 2013

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Materials Science(all)
  • Nuclear Energy and Engineering

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    Goyal, A., Rudzik, T., Deng, B., Hong, M., Chernatynskiy, A., Sinnott, S. B., & Phillpot, S. R. (2013). Segregation of ruthenium to edge dislocations in uranium dioxide. Journal of Nuclear Materials, 441(1-3), 96-102. https://doi.org/10.1016/j.jnucmat.2013.05.031