TY - JOUR
T1 - Random-walk Monte Carlo simulation of intergranular gas bubble nucleation in UO 2 fuel
AU - Millett, Paul C.
AU - Zhang, Yongfeng
AU - Andersson, D. A.
AU - Tonks, Michael R.
AU - Biner, S. B.
N1 - Funding Information:
The authors gratefully acknowledge financial support from the Nuclear Energy Modeling and Simulation (NEAMS), and specifically the Fundamental Models and Methods (FMM), Programs within the US Department of Energy.
PY - 2012/11
Y1 - 2012/11
N2 - Using a random-walk particle algorithm, we investigate the clustering of fission gas atoms on grain boundaries in oxide fuels. The computational algorithm implemented in this work considers a planar surface representing a grain boundary on which particles appear at a rate dictated by the Booth flux, migrate two dimensionally according to their grain boundary diffusivity, and coalesce by random encounters. Specifically, the intergranular bubble nucleation density is the key variable we investigate using a parametric study in which the temperature, grain boundary gas diffusivity, and grain boundary segregation energy are varied. The results reveal that the grain boundary bubble nucleation density can vary widely due to these three parameters, which may be an important factor in the observed variability in intergranular bubble percolation among grain boundaries in oxide fuel during fission gas release.
AB - Using a random-walk particle algorithm, we investigate the clustering of fission gas atoms on grain boundaries in oxide fuels. The computational algorithm implemented in this work considers a planar surface representing a grain boundary on which particles appear at a rate dictated by the Booth flux, migrate two dimensionally according to their grain boundary diffusivity, and coalesce by random encounters. Specifically, the intergranular bubble nucleation density is the key variable we investigate using a parametric study in which the temperature, grain boundary gas diffusivity, and grain boundary segregation energy are varied. The results reveal that the grain boundary bubble nucleation density can vary widely due to these three parameters, which may be an important factor in the observed variability in intergranular bubble percolation among grain boundaries in oxide fuel during fission gas release.
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U2 - 10.1016/j.jnucmat.2012.06.049
DO - 10.1016/j.jnucmat.2012.06.049
M3 - Article
AN - SCOPUS:84864055187
SN - 0022-3115
VL - 430
SP - 44
EP - 49
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
IS - 1-3
ER -