Molecular dynamics simulation of collective behaviour of Xe in UO2 |
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Authors: | Tian Xiao-Feng Long Chong-Sheng Zhu Zheng-He Gao Tao |
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Affiliation: | Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China; The National Key Laboratory of Nuclear Fuel and Materials, NuclearPower Institute of China, Chengdu 610041, China |
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Abstract: | This paper performs atomic simulations of the nucleationand growth of Xe bubble in UO$_{2}$ at 1600~K. The bubble growth wassimulated up to the bubble containing 50 Xe atoms. The Xe atoms wereadded directly to the bubble one by one, followed by a relaxation ofthe system for several picoseconds. The simulations estimated thebubble pressure and radius at different Xe concentrations. Theresults indicate that the bubble pressure drops with the increasingXe/U and bubble size at low Xe concentration, while the pressurewill increase with the Xe/U ratio at high Xe concentration. Theswelling of the system associated with the bubble growth was alsoobtained. Finally, the recovery of the damaged structure wasinvestigated. |
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Keywords: | uranium dioxide molecular dynamics bubble growth swelling |
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