Effects of edge dislocations on thermal transport in UO2

B. Deng, A. Chernatynskiy, P. Shukla, Susan B. Sinnott, S. R. Phillpot

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

Molecular-dynamics simulations are used to characterize the effects of dislocations on the thermal transport properties of UO2. Microstructures with various dislocation densities of the order of 10 16 m-2 are simulated at temperatures between 800 and 1600 K. The effects of dislocations on the thermal-transport properties are found to be independent on temperature, consistent with the classic Klemens-Callaway analysis. The effect of dislocation density is also quantified. The simulation results are also fit to the pertinent part of the empirical formula for the thermal conductivity used in the FRAPCON fuel-performance code, which gives the overall effects of temperature and dislocation effects on thermal conductivity. The fitted results can be well-described within this formalism, indicating that the results of molecular-dynamics simulations can be used as a reliable source of parameters for models at longer length scales.

Original languageEnglish (US)
Pages (from-to)203-209
Number of pages7
JournalJournal of Nuclear Materials
Volume434
Issue number1-3
DOIs
StatePublished - Jan 7 2013

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Edge dislocations
edge dislocations
Transport properties
Molecular dynamics
Thermal conductivity
Computer simulation
thermal conductivity
Temperature
transport properties
molecular dynamics
simulation
Microstructure
temperature effects
Hot Temperature
formalism
microstructure
temperature

All Science Journal Classification (ASJC) codes

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

Cite this

Deng, B. ; Chernatynskiy, A. ; Shukla, P. ; Sinnott, Susan B. ; Phillpot, S. R. / Effects of edge dislocations on thermal transport in UO2. In: Journal of Nuclear Materials. 2013 ; Vol. 434, No. 1-3. pp. 203-209.
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Deng, B, Chernatynskiy, A, Shukla, P, Sinnott, SB & Phillpot, SR 2013, 'Effects of edge dislocations on thermal transport in UO2', Journal of Nuclear Materials, vol. 434, no. 1-3, pp. 203-209. https://doi.org/10.1016/j.jnucmat.2012.11.043

Effects of edge dislocations on thermal transport in UO2. / Deng, B.; Chernatynskiy, A.; Shukla, P.; Sinnott, Susan B.; Phillpot, S. R.

In: Journal of Nuclear Materials, Vol. 434, No. 1-3, 07.01.2013, p. 203-209.

Research output: Contribution to journalArticle

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