Melting behavior of (Th,U)O2 and (Th,Pu)O2 mixed oxides

P. S. Ghosh, N. Kuganathan, C. O.T. Galvin, A. Arya, G. K. Dey, B. K. Dutta, R. W. Grimes

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Abstract

The melting behaviors of pure ThO2, UO2 and PuO2 as well as (Th,U)O2 and (Th,Pu)O2 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)O2 and (Th,Pu)O2 MOX are also reported. The MD calculated MT of (Th,U)O2 and (Th,Pu)O2 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)O2 MOX.

Original languageEnglish
Pages (from-to)112-122
Number of pages11
JournalJournal of Nuclear Materials
Volume479
Early online date27 Jun 2016
DOIs
Publication statusPublished - 1 Oct 2016
Externally publishedYes

ASJC Scopus subject areas

  • Nuclear and High Energy Physics
  • Nuclear Energy and Engineering
  • Materials Science(all)

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    Ghosh, P. S., Kuganathan, N., Galvin, C. O. T., Arya, A., Dey, G. K., Dutta, B. K., & Grimes, R. W. (2016). Melting behavior of (Th,U)O2 and (Th,Pu)O2 mixed oxides. Journal of Nuclear Materials, 479, 112-122. https://doi.org/10.1016/j.jnucmat.2016.06.037