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EEE4.05 - Atomic Structure and Evolution of the Defects in Irradiated Materials 
April 23, 2014   10:15am - 10:30am

Despite much research, the detailed atomistic structure and evolution of the defects produced under irradiation remains unknown in many cases. We discuss the structure of two systems which reveal interesting aspects of irradiation behavior. We first analyze the structure of dislocations and dislocation loops in UO, with particular focus on the segregation of the impurities to the dislocations core. It is found, that the driving force behind segregation is the dislocations strain field; thus a simple model predicting behavior of impurities is constructed. Second, we examine simulations of the formation of voids in UO and their interactions with grain boundaries. Because voids affect the thermal conductivity of the fuel, we also perform the thermal transport simulations of the system with the voids and compare its results with available analytical models. It is found that small voids affect thermal transport stronger than predicted by the simple models. This work was supported by the DOE-NE Nuclear Energy University Program 10-2258 and by the DOE-NE Advanced Modeling and Simulation (NEAMS) Program, and FUELS: Integrated Performance and Safety Code (IPSC) Project.

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