The role of charge and ionic radius on fission product segregation to a model UO2 grain boundary

Minki Hong, Blas P. Uberuaga, Simon R. Phillpot, David A. Andersson, Christopher R. Stanek, Susan B. Sinnott

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

The segregation energies of a range of fission products in UO2 to a Σ5 symmetric tilt grain boundary have been calculated using empirical potentials and their dependency on site, charge, and ionic radius has been determined. Density functional theory calculations provide information about the detailed bonding environment around the segregates. While most of the fission products prefer to reside in sites with large free volume, there are some that form strong bonds with neighboring oxygen ions, and thus prefer sites with high oxygen coordination. This result provides insight into nuclear fuel design to enhance control of fission product retention.

Original languageEnglish (US)
Article number134902
JournalJournal of Applied Physics
Volume113
Issue number13
DOIs
StatePublished - Apr 7 2013

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Fingerprint Dive into the research topics of 'The role of charge and ionic radius on fission product segregation to a model UO<sub>2</sub> grain boundary'. Together they form a unique fingerprint.

Cite this