A Study on Defect Formation Energies in UO2 and UN Nuclear Fuels and on Xenon Stability in the Defects

Autor:	Hee moon Kim, Chang je Park, Sung ryul Kim, Youn suk Yun, Yong Uhn Kim
Rok vydání:	2013
Předmět:	Physics Fission products Uranium dioxide General Physics and Astronomy Schottky diode chemistry.chemical_element Uranium Molecular physics Crystallography chemistry.chemical_compound Xenon chemistry Vacancy defect Uranium nitride
Zdroj:	New Physics: Sae Mulli. 63:661-665
ISSN:	2289-0041 0374-4914
DOI:	10.3938/npsm.63.661
Popis:	Atomic Xenon one of the fission products of uranium nitride (UN) and uranium dioxide (UO2) in nuclear reactors, diffuses as a gas. We investigated defect formation and xenon mobility in the fuel by using first-principles calculations as implemented in the VASP code. Frenkel defects in uranium were more difficult to find than Frenkel defects in anions and Schottky defects in the UN and the UO2 fuels. Our calculations of the formation energies of extrinsic defects showed that the vacancy formation energies of anions were higher than the vacancy formation energy of the uranium. When xenon diffused in the UN and the UO2 fuels, it preferred sites of vacancy clusters to single vacancies. This means that xenon in Schottky defects site is difficult to remove.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::088e27e49654b7764c95db5374554467 https://doi.org/10.3938/npsm.63.661 Zobrazit plný text záznamu