Trapping and diffusion of fission products in ThO2 and CeO2

Journal Article · Fri Jul 01 04:00:00 EDT 2011 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2011.05.037· OSTI ID:1386663

Xiao, H. Y.; Zhang, Y.; Weber, W. J.

The trapping and diffusion of Br, Rb, Cs and Xe in ThO2 and CeO2 have been studied using an Ab Initio total energy method in the local-density approximation of density functional theory. Fission products incorporated in cation mono-vacancy, cation–anion di-vacancy and Schottky defect sites are found to be stable, with the cation mono-vacancy being the preferred site in most cases. In both oxides, Rb and Cs are the most likely to be trapped, and Xe is more difficult to incorporate than other fission products. The energy barriers for migration of each species in ThO2 and CeO2 are also calculated. Alkali metals are relatively more mobile than other fission products, and bromine is the least mobile.

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)
• Sponsoring Organization: USDOE SC Office of Basic Energy Sciences (SC-22)
• DOE Contract Number: SC0001089
• OSTI ID: 1386663
• Journal Information: Journal of Nuclear Materials, Journal Name: Journal of Nuclear Materials Journal Issue: 3 Vol. 414; ISSN 0022-3115
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS
nuclear (including radiation effects)
materials and chemistry by design
synthesis (novel materials)
synthesis (self-assembly)