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Effect of Ce4+ and Th4+ Ion Substitution in Uranium Dioxide

Published online by Cambridge University Press:  14 February 2012

Rakesh K. Behera  and
Chaitanya S. Deo
Rakesh K. Behera
Affiliation:
Nuclear and Radiological Engineering Program, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332, U.S.A.
Chaitanya S. Deo
Affiliation:
Nuclear and Radiological Engineering Program, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332, U.S.A.
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Abstract

Uranium dioxide is the most common fuel used in commercial light water nuclear reactors. The fission of the fuel generates fission products (FPs) and minor actinides (MAs), which affects the thermo-physical properties of the fuel. The understanding of the physical and chemical properties of the FPs and MAs is still limited. In this study we have used atomic level simulations to estimate the effect of Ce4+ and Th4+ ions in urania matrix. Our results show that the structural variation depends on the elastic effect, which is guided by the ionic radius of the substituted ion. Ce4+ (ionic radius 0.97 Å) reduces the overall lattice parameter, while Th4+ (ionic radius 1.05 Å) increases the overall lattice parameter of the urania matrix (U4+ ionic radius 1.00 Å). In addition bulk modulus of the U1-xCexO2 system does not change with substitution while the modulus of U1-xThxO2 reduces with an increase in Th4+ ion concentration. This observation is in accordance with Vegard’s law prediction based on the modulus values of bulk UO2, CeO2 and ThO2 systems.

Keywords

simulationnuclear materialselastic properties
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1383: Symposium A – Material Challenges in Current and Future Nuclear Technologies , 2012 , mrsf11-1383-a01-03
Copyright
Copyright © Materials Research Society 2012

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