Simulation of the dynamics of oxygen atoms in UO in the presence of defects of metal lattice

Ichinomiya, Takashi*; Nishiura, Yasumasa*; Itakura, Mitsuhiro ; Kinoshita, Motoyasu

The effect of lattice defects in UO such Uranium vacancy and Xe atom on the diffusion of oxygen vacancy has been investigated by temperature accelerated MD simulations. U-vacancy was found to have very low mobility and its migration was very rare. O-vacancy is bound to this U-vacancy with 0.76 eV bounding energy. From these results, we found that O-vacancy diffusion is suppressed by U-vacancy.

Language	:	Japanese
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Meeting title	:	日本原子力学会2008年秋の大会
Held date	:	2008/09
Location (city)	:	香美
Location (country)	:	日本
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Registration No. : BB20081221
JAEA Abstracts No. :
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