Experimental and molecular dynamics study of thermo-physical and transport properties of ThO2-5wt.%CeO2 mixed oxides (original) (raw)

Journal of Nuclear Materials, 2015

Abstract

Abstract We have determined the thermo-physical (elastic modulus, specific heat, thermal expansion and thermal conductivity) and transport (ionic conductivity) properties of ThO 2 -5wt.%CeO 2 mixed oxide (MOX) using a combined experimental and theoretical methodology. The specific heat, ionic conductivity and elastic properties of ThO 2 -5wt.%CeO 2 pellets prepared by conventional powder metallurgy (POP) and coated agglomerate pelletization (CAP) routes (sintered in both air and Ar-8%H 2 atmosphere) are compared with respect to homogeneity (CeO 2 distribution in ThO 2 matrix), microstructure, porosity and oxygen to metal ratio. The effects of inhomogeneity and pore distribution on thermal expansion and thermal conductivity of the mixed-oxide pellets are identified. Molecular dynamics (MD) simulations using the Coulomb-Buckingham-Morse-many-body model based interatomic potentials are used to predict elastic properties in the temperature range between 300 and 2000 K and thermodynamic properties, viz. , enthalpy increment and specific heats of ThO 2 . Finally, the thermal expansion coefficient and thermal conductivity of ThO 2 and (Th,Ce)O 2 mixed-oxides obtained from MD are compared with available experimental results.

Pranesh Sengupta hasn't uploaded this paper.

Let Pranesh know you want this paper to be uploaded.

Ask for this paper to be uploaded.