In the past decades, pyrochlores, such as Gd2Zr2O7, have demonstrated great potential to immobilize nuclear wastes such as Pu, which results in the production of Pu2Zr2O7. Due to the high radioactivity of Pu, it is difficult to investigate the radiation response behavior of Pu2Zr2O7 and its physical properties of the damaged state experimentally. Consequently, few related data have been reported in the literature thus far. In this study, first-principles calculations have been carried out to investigate the defect formation and its effect on the thermodynamic properties of Pu2Zr2O7. It reveals that PuZr antisite and O8a interstitial defects are very easy to form in Pu2Zr2O7. In particular, the O8a interstitial defect can be formed spontaneously, while it is mechanically unstable. When vacancy, interstitial or antisite defects are formed in Pu2Zr2O7, and the elastic moduli and Debye temperature are decreased. Besides, better ductility is resulted. As compared with other zirconate pyrochlores, such as Gd2Zr2O7, the Pu2Zr2O7 is suggested to be less resistant to radiation-induced amorphization. This study demonstrates that the created defects due to self-radiation from actinide decay have remarkable influences on the thermophysical properties of Pu2Zr2O7. 相似文献
Surface patterning is a recent promising approach to promote performance of pressure-driven membranes in water treatment and desalination. Nevertheless, knowledge about foulant deposition mechanisms, especially at early stage of filtration, is still lacking. The applicability of particle imaging velocimetry to study fluid characteristics atop surface patterned thin-film composite membranes was investigated at different operating conditions. This work is an important first step toward reliable understanding of the impacts of topographical membrane surface modification on hydrodynamic conditions and foulant deposition mechanisms. 相似文献
During sintering of the silica-based ceramic core of turbine blades, a phenomenon called “nonuniform sintering” occurs that negatively affects the thermal and mechanical properties of the core. Standard samples of silica-based core were prepared by an injection molding method and sintered with alumina backfilling powder with different sodium contents. The effect of sodium content on the nonuniform sintering of silica-based cores and the thermal and mechanical properties was evaluated. Results show that the sintering level and the content of α-cristobalite in the surface layer are significantly higher than that of the sample interior. A considerable number of microcracks are found in the surface layer due to the β to α-phase transition of cristobalite. As the sodium content in the alumina powder decreases, the level of the nonuniform sintering and the amount of crystallized cristobalite in the surface layer decrease, which is beneficial to the thermal expansion and flexural strength at ambient temperature. The flexural strength and thermal deformation at high temperature are improved by reducing the surface cracks, but deteriorated with the decrease of the cristobalite crystallization when the surface cracks are macroscopically invisible.