Melting behavior of (Th,U)O-2 and (Th,Pu)O-2 mixed oxides

PS Ghosh and N Kuganathan and COT Galvin and A Arya and GK Dey and BK Dutta and RW Grimes, JOURNAL OF NUCLEAR MATERIALS, 479, 112-122 (2016).

DOI: 10.1016/j.jnucmat.2016.06.037

The melting behaviors of pure ThO2, UO2 and PuO2 as well as (Th,U)O-2 and (Th,Pu) O-2 mixed oxides (MOX) have been studied using molecular dynamics (MD) simulations. The MD calculated melting temperatures (MT) of ThO2, UO2 and PuO2 using two-phase simulations, lie between 3650-3675 K, 3050 -3075 K and 2800-2825 K, respectively, which match well with experiments. Variation of enthalpy increments and density with temperature, for solid and liquid phases of ThO2, PuO2 as well as the ThO2 rich part of (Th,U)O-2 and (Th,Pu)O-2 MOX are also reported. The MD calculated MT of (Th,U) O-2 and (Th,Pu)O-2 MOX show good agreement with the ideal solidus line in the high thoria section of the phase diagram, and evidence for a minima is identified around 5 atom% of ThO2 in the phase diagram of (Th,Pu)O-2 MOX. (C) 2016 Elsevier B.V. All rights reserved.

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