Abstract
AbstractThe Bredig transition to the superionic phase indicated with the $$\lambda $$-peak in $${C_p}$$ was highly expected for plutonium dioxide ($${\rm{Pu}}{{\rm{O}}_2}$$) as other actinide dioxides. However, least-square fit and local smoothing techniques applied to the experimental enthalpy data of PuO2 in 1980s could not detect a $$\lambda $$-peak in specific heat that might be due to too scattered and insufficient experimental data. Therefore, this issue has not been yet put beyond the doubts. In the current article, a superionic model of $${\rm{Pu}}{{\rm{O}}_2}$$ is developed with partially ionic model of a rigid ion potential. Thermophysical properties were calculated in constant pressure–temperature ensemble using molecular dynamics simulation. The Bredig transition with vicinity of a $$\lambda $$-peak in specific heat was successfully observed for the model system at about 2,100 K. Moreover, the experimental enthalpy change was well reproduced before and after the estimated transition temperature.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
