The diffusion of two volatile fission products, xenon (Xe) and krypton (Kr), in zirconia (ZrO₂) is investigated. Samples of Yttria (Y₂O₃)-stabilised tetragonal ZrO₂ were implanted with either Xe or Kr, at 300 keV, with a fluence of 10¹⁷ at./cm², and subsequently analysed with time-of-flight elastic recoil detection analysis (ToF-ERDA) to obtain elemental composition depth profiles. Samples were then annealed at 1200 °C for 9 h, and the effect of the annealing was assessed by ToF-ERDA measurements. From these measurements, first-order approximations of diffusion coefficients for Xe and Kr in ZrO<inf>2</inf> were derived, using a model based on Fick's second law, these being (1.36±0.87)×10⁻¹⁹ m²/s and (2.94±1.96)×10⁻¹⁹ m²/s at 1200 °C for Kr and Xe respectively. It was shown that ToF-ERDA can provide data to analyse the diffusion of elements in solid sample matrices and that a model based on Fick's Law can predict the diffusion of the implanted ions.

Proton irradiation with a primary ion energy of 2 MeV was used to simulate radiation damage in UN and (U,Zr)N fuel pellets. The pellets, nominally at room temperature, were irradiated to peak levels of 0.1,1,10 dpa and 100.0 dpa resulting in a peak hydrogen concentration of at most 90 at. %. Microstructure and mechanical properties of the samples were investigated and compared before and after irradiation. The irradiation induced an increase in hardness, whereas a decrease in Young's modulus was observed for both samples. Microstructural characterization revealed irradiation-induced cracking, initiated in the bulk of the material, where the peak damage was deposited, propagating towards the surface. Additionally, transmission electron microscopy was used to study irradiation defects. Dislocation loops and fringes were identified and observed to increase in density with increasing dose levels. The high density of irradiation defects and hydrogen implanted are proposed as the main cause of swelling and consequent sample cracking, leading simultaneously to increased hardening and a decrease in Young's modulus.

In the present study, physical properties of the ternary phase U2CrN3 are evaluated experimentally and by modeling methods. High density pellets containing the ternary phase were prepared by spark plasma sintering (SPS). The microstructural and crystallographic analyses of the composite pellets were performed using scanning electron microscopy (SEM), standardised energy dispersive spectroscopy (EDS) and electron backscatter diffraction (EBSD). Evaluation of the mechanical properties was performed by nanoindentation test. The impact of temperature on lattice properties was evaluated using high temperature X-ray diffraction (XRD) coupled with modeling. Progressive change in the lattice parameters was obtained from room temperature (RT) to 673 K, and the result was used to calculate average linear thermal expansion coefficients, as well as an input for the density functional theory (DFT) modeling to reassess the degradation of the mechanical properties. The ab-initio calculation provides an initial assessment of electronic configuration of this ternary phase in a direct comparison with one of UN phase. For this goal, modeling was also employed to evaluate point defect formation energies and electronic charge distribution in the ternary phase. Results indicate that the U2CrN3 phase has similar mechanical properties to UN (Young's, bulk, shear moduli, hardness). No preferential crystallographic orientation was observed in the composite pellet. However, charge electron density distribution highlights the significant directionality of chemical bonds, which is in agreement with the anisotropy and non-linear behaviour of the obtained thermal expansion (α¯(aa) = 9.12 × 10−6/K, α¯(ab) = 5.81 × 10−6/K and α¯(ac) = 6.08 × 10−6/K). As a consequence, uranium was found to be more strongly bound in the ternary structure which may delay diffusion and vacancy formation, promising an acceptable performance as nuclear fuel.