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Melting behavior of (Th,U)O2 and (Th,Pu)O2 mixed oxides
Authors
A Arya
GK Dey
+5 more
BK Dutta
COT Galvin
PS Ghosh
RW Grimes
N Kuganathan
Publication date
21 June 2016
Publisher
'Elsevier BV'
Doi
Cite
Abstract
© 2016 Elsevier B.V.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
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Last time updated on 17/02/2017