No abstract

We present a theoretical study of xenon incorporation in UO2 nanocavities, by means of Grand Canonical Monte Carlo calculations based on semi-empirical potentials. We first characterize the reconstruction of the matrix around an empty cavity which leads to a stoechiometry change from UO2 to UO in this region. Then, we determine xenon adsorption isotherms which exhibit an abrupt transition from a dilute phase to a dense one and an increase in the density of the latter phase as a function of temperature. This last result is attributed to a vibrational entropy effect by means of a mean field analysis. Finally, the pressure calculation inside the bubble proves the limitations of the usual mesoscopic models based on gas state behaviour.

We present here an analytical method, based on the kinetic theory, to determine the impact of defects such as cavities on the thermal conductivity of a solid. This approach, which explicitly takes into account the effects of internal pore surfaces, will be referred to as the Phonon Interface THermal cONductivity (PITHON) model. Once exposed in the general case, this method is then illustrated in the case of uranium dioxide. It appears that taking properly into account these interface effects significantly modifies the temperature and porosity dependence of thermal conductivity with respect to that issued from either micromechanical models or more recent approaches, in particular, for small cavity sizes. More precisely, it is found that if the mean free path appears to have a major effect in this system in the temperature and porosity distribution range of interest, the variation of the specific heat at the surface of the cavity is predicted to be essential at very low temperature and small sizes for sufficiently large porosity.