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@article{Galvin:2016:40/405002,
author = {Galvin, COT and Cooper, MWD and Fossati, PCM and Stanek, CR and Grimes, RW and Andersson, DA},
doi = {40/405002},
journal = {Journal of Physics: Condensed Matter},
title = {Pipe and grain boundary diffusion of He in UO},
url = {http://dx.doi.org/10.1088/0953-8984/28/40/405002},
volume = {28},
year = {2016}
}

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TY  - JOUR
AB  - Molecular dynamics simulations have been conducted to study the effects of dislocations andgrain boundaries on He diffusion in UO2. Calculations were carried out for the {100}, {110} and{111} h110i edge dislocations, the screw h110i dislocation and Σ5, Σ13, Σ19 and Σ25 tilt grainboundaries. He diffusivity as a function of distance from the dislocation core and grain boundarieswas investigated for the temperature range 2300 - 3000 K. An enhancement in diffusivitywas predicted within 20 Å of the dislocations or grain boundaries. Further investigation showedthat He diffusion in the edge dislocations follows anisotropic behaviour along the dislocationcore, suggesting that pipe diffusion occurs. An Arrhenius plot of He diffusivity against the inverseof temperature was also presented and the activation energy calculated for each structure,as a function of distance from the dislocation or grain boundary
AU  - Galvin,COT
AU  - Cooper,MWD
AU  - Fossati,PCM
AU  - Stanek,CR
AU  - Grimes,RW
AU  - Andersson,DA
DO  - 40/405002
PY  - 2016///
SN  - 0953-8984
TI  - Pipe and grain boundary diffusion of He in UO
T2  - Journal of Physics: Condensed Matter
UR  - http://dx.doi.org/10.1088/0953-8984/28/40/405002
UR  - http://hdl.handle.net/10044/1/38591
VL  - 28
ER  -

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