Simulação computacional de materiais bidimensionais: funcionalização de defeitos extensos no grafeno e retenção de contaminantes por argilominerais

In this work are considered two bidimensional systems, with distints chacacteristcs and applicabilitys. Is studied the adsorption of transition metals (MT) Fe, Co, Mn and Ru in extended defects, formed by graphene grain boundaries. First in pristine graphene The hollow site of carbon hexagon, in pristine graphene, are the most stable for MT adsorption. The Dirac cone in eletronic structure of graphene was manteined with the presence of MT. For the considered grain boundaries the MT has a greater stability for absorption in the grain boundaries sites in comparison with pristine graphene. Through the energy barrier values, are observed diffusion chanels for MT localized on the grain boundaries. This diffusion chanels indicate a possible formation of nanolines of MT in graphene. For the first stage of the nanolines, ate observed a better stability for the system with greater MT concentration, due to MT-MT interactions. Also, due to the magnetic moment of the MT, the nanolines show a magnetization. For the most stable configurations the system are metallics, particularly for Fe the band structure indicates an anisotropic spin current. In a second study, are considereted the retention capacity for metallic contaminants Cd and Hg in clayminerals, kaolinite (KAO) and montmorillonite (MMT). Through the adsorption energies of contaminantes in the clayminerals, was observed a increase in stability with the increase of contaminants concentration, due to the interaction Cd-Cd and Hg-Hg. Also, was observed that KAO has a strong interaction beteween monolayers than MMT. In this sence, for the adsoption process of contaminantes in the natural form of KAO and MMT, the latter has a better retention capacity, due to the small net work for contaminant intercalation. However, when the modification of clayminerals, with molecules that increase the spacing between monolayers, exist a optimal condition, which the contaminant absorption are more stable in KAO system than in MMT. In the Langmuir adsorption model for the clayminerals in the optimal monolayer spacing, the retention capacity for Cd and Hg in KAO system are 21% greater than in MMT system. Also, for the X-ray Absorption Near Edge Spectroscopy (XANES) for the K edge of Cd and Hg, are found a positive shift of absorption edge with the decreasing of monolayer spacing. This result indicates a possible way to determine the concentration of adsorbed contaminats in relation to unabsorbed ones, from the decomposition of experimental XANES in the obteined spectras.

A influência do amortecimento viscoelástico na estabilidade aeroelástica de painéis aeronáuticos

Since the creation of supersonic vehicles, during the Second World War, the engineers have given special attention to the interaction between the aerodynamic efforts and the structures of the aircrafts due to a highly destructive phenomenon called flutter in aeronautical panel. Flutter in aeronautical panels is a self-excited aeroelastic phenomenon, which can occurs during supersonic flights due to dynamic instability of inertia, elastic and aerodynamic forces of the system. In the flutter condition, when the critical aerodynamic pressure is reached, the vibration amplitudes of the panel become dynamically unstable and increase exponentially with time, affecting significantly the fatigue life of the existing aeronautical components. Thus, in this paper, the interest is to investigate the possibility of reducing the effects of the supersonic aeroelastic instability of rectangular plates by applying passive constrained viscoelastic layers. The rationale for such study is the fact that as the addition of viscoelastic materials provides decreased vibration amplitudes it becomes important to quantify the suppression of plate flutter coalescence modes that can be obtained. Moreover, despite the fact that much research on the suppression of panel flutter has been carried out by using passive, semi-active and active control techniques, very few of them are adapted to deal with the problem of estimating the flutter speeds of viscoelastic systems, since they must conveniently account for the frequency- and temperature-dependent behavior of the viscoelastic material. In this context, two different model of viscoelastic material are developed and applied to the model of sandwich plate by using finite elements. After the presentation of the theoretical foundations of the methodology, the description of a numerical study on the flutter analysis of a three-layer sandwich plate is addressed.