Abstract:
The results of the atomistic simulation of a superionic transition and melting of uranium dioxide are presented. The temperature dependences of the concentration of defects in the oxygen sublattice and changes in the heat capacity and isothermal compressibility upon the superionic transition are calculated. It is shown that the curve of the superionic transition in the PT diagram can be described by the Ehrenfest’s equation. The possibility of describing the superionic transition within the framework of the theory of second- order phase transitions is discussed. Based on the results obtained, it is considered that this structural transformation can occur in other materials.
Citation:
M. A. Korneva, S. V. Starikov, “Atomistic simulation of a superionic transition in UO2”, Fizika Tverdogo Tela, 58:1 (2016), 170–175; Phys. Solid State, 58:1 (2016), 177–182
\Bibitem{KorSta16}
\by M.~A.~Korneva, S.~V.~Starikov
\paper Atomistic simulation of a superionic transition in UO$_2$
\jour Fizika Tverdogo Tela
\yr 2016
\vol 58
\issue 1
\pages 170--175
\mathnet{http://mi.mathnet.ru/ftt10126}
\elib{https://elibrary.ru/item.asp?id=25668770}
\transl
\jour Phys. Solid State
\yr 2016
\vol 58
\issue 1
\pages 177--182
\crossref{https://doi.org/10.1134/S1063783416010194}
Linking options:
https://www.mathnet.ru/eng/ftt10126
https://www.mathnet.ru/eng/ftt/v58/i1/p170
This publication is cited in the following 7 articles:
Cyrille Takoukam-Takoundjou, Emeric Bourasseau, Véronique Lachet, “Study of thermodynamic properties of U1-yPuyO2 MOX fuel using classical molecular Monte Carlo simulations”, Journal of Nuclear Materials, 534 (2020), 152125
M A Sineva, I V Morozov, G V Belov, N M Aristova, Ya Lavrinenko, “Simultaneous analysis of the enthalpy increment and heat capacity data measurements for updating the IVTANTHERMO database”, J. Phys.: Conf. Ser., 1385:1 (2019), 012025
S. Starikov, M. Korneva, “Description of phase transitions through accumulation of point defects: UN, UO2 and UC”, Journal of Nuclear Materials, 510 (2018), 373
N. M. Aristova, G. V. Belov, I. V. Morozov, M. A. Sineva, “Thermodynamic properties of condensed uranium dioxide”, High Temperature, 56:5 (2018), 652–661
Hector Balboa, Laurent Van Brutzel, Alain Chartier, Yann Le Bouar, “Assessment of empirical potential for MOX nuclear fuels and thermomechanical properties”, Journal of Nuclear Materials, 495 (2017), 67
A.V. Lunev, A.Yu. Kuksin, S.V. Starikov, “Glide mobility of the 1/2[1 1 0](0 0 1) edge dislocation in UO2 from molecular dynamics simulation”, International Journal of Plasticity, 89 (2017), 85
M A Korneva, S V Starikov, “Atomistic simulation of a superionic transition in fluorite type structures UO2, UN2, TiH2”, J. Phys.: Conf. Ser., 774 (2016), 012037