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Structure analysis of the defects generated by a thermal spike in single crystal CeO$$_{2}$$; A Molecular dynamics study

Sasajima, Yasushi*; Ajima, Naoki*; Kaminaga, Ryuichi*; Ishikawa, Norito  ; Iwase, Akihiro*

In the present paper, we have extensively analyzed the atomic structures generated by supplying a thermal spike to the single crystal CeO$$_{2}$$. Our analysis results were compared with the atomic structures obtained by the microscope experiments. Our simulation reproduced the distribution of the numbers of oxygen atoms obtained from the analysis of microscope images. We found that the number of vacancies was increased abruptly immediately after the thermal spike, and the number subsequently dropped through a relaxation process within 3 ps.

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