Understanding xenon and vacancy behavior in UO<sub>2</sub>, UN and U<sub>3</sub>Si<sub>2</sub>: a comparative DFT+<i>U</i>study
Jiajun Zhao, Dan Sun, Xi Liu, Ping Chen, Jijun Zhao, Yuanyuan Wang
Abstract
indicates the excellent storage capacity of fission gas products in the matrix. Overall, this work provides comprehensive insights into the origins of the interplay between Xe and vacancies as well as the thermodynamic behavior of defects in uranium-based fuels.
Topics & Concepts
Vacancy defectXenonAtom (system on chip)Charge (physics)Atomic physicsMaterials sciencePhysicsCondensed matter physicsQuantum mechanicsComputer scienceEmbedded systemNuclear Materials and PropertiesRadioactive element chemistry and processingRare-earth and actinide compounds