TY - JOUR
T1 - Effects of edge dislocations on thermal transport in UO2
AU - Deng, B.
AU - Chernatynskiy, A.
AU - Shukla, P.
AU - Sinnott, S. B.
AU - Phillpot, S. R.
N1 - Funding Information:
This work was co-authored by a subcontractor (SRP) of the U.S. Government under DOE Contract No. DE-AC07-05ID14517 , under the Energy Frontier Research Center (Office of Science, Office of Basic Energy Science, FWP 1356) . Accordingly, the U.S. Government retains and the publisher (by accepting the article for publication) acknowledges that the U.S. Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. Government purposes.
PY - 2013
Y1 - 2013
N2 - 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.
AB - 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.
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U2 - 10.1016/j.jnucmat.2012.11.043
DO - 10.1016/j.jnucmat.2012.11.043
M3 - Article
AN - SCOPUS:84871784981
SN - 0022-3115
VL - 434
SP - 203
EP - 209
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
IS - 1-3
ER -