Using first-principles calculations based on density functional theory, we investigated the effects of surface functionalization on the energetic and electronic properties of hydrogenated and chlorinated silicon nanowires oriented along the <112> direction. We show that the band structure is strongly influenced by the diameter of the nanowire, while substantial variations in the formation energy are observed by changing the passivation species. We modeled an octane moiety absorption on the (111) and (110) surface of the silicon nanowire to address the effects on the electronic structure of the chlorinated and hydrogenated systems. We found that the moiety does not substantially affect the electronic properties of the investigated systems. Indeed, the states localized on the molecules are embedded into the valence and conduction bands, with no generation of intragap energy levels and moderated change in the band gap. Therefore, Si-C bonds can enhance protection of the hydrogenated and chlorinated nanowire surfaces against oxidation without substantial modification of the electronic properties. However, we calculated a significant charge transfer from the silicon nanowires to the octane moiety.
This paper describes the SILER (Seismic-Initiated event risk mitigation in LEad-cooled Reactors) Project results obtained so far in the design of the seismic isolation system of two nuclear power plants: the ELSY configuration for the LFR (Lead-Cooled Fast Reactor) design and the MYRRHA configuration for the accelerator-driven systems (ADS).
The seismic protection of the nuclear buildings by means of seismic isolation has been chosen in order to minimize changes to the standard design of the civil works and internal components of the Nuclear Power Plant. The work led to the identification of the optimal design solution, in terms of type and location of seismic devices, to achieve compliance to the floor response acceleration spectra in horizontal and vertical direction, with levels of horizontal displacements not exceeding the maximum acceptable values for structural and non-structural elements.
The isolators studied in the project are of the type elastomeric, both High Damping Rubber Bearings and Lead Rubber Bearings; moreover the adoption of a fail-safe system to limit the horizontal isolator deformation in case of beyond design earthquakes is studied.
A preliminary evaluation of gaseous radiocarbon (14C) behavior under geological repository conditions for Italian radioactive high level waste-long-lived and intermediate level waste disposal has been performed. Although in Italy there is still no defined project for a geological disposal facility, current work may support future safety assessment studies for a hypothetical future repository in deep salt rock. In the Italian context of radioactive waste, the percentage of 14C bearing waste to be disposed in a possible geological repository is low; irradiated graphite is the most important radiological source. Data about the radiological inventory has been collected to simulate production and migration of gaseous 14C in a hypothetical geological repository. Three different conceptual models have been developed and simulated. The first model has considered a preliminary evaluation of the radiological impact referred to the whole inventory; the second and third model have evaluated the impact only due to the irradiated graphite. A preliminary sensitivity analysis has been carried out, highlighting the importance of geometry and of distribution coefficients (Kd) in materials used to seal the disposal underground facility. Results show the possibility to correlate the Kd values, the volume and the location of the sealing materials to the amount of 14C migrating toward the surface.
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