629 resultados para CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA::QUIMICA INORGANICA::COMPOSTOS ORGANO-METALICOS


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Existem vários métodos de simulação para calcular as propriedades críticas de sistemas; neste trabalho utilizamos a dinâmica de tempos curtos, com o intuito de testar a eficiência desta técnica aplicando-a ao modelo de Ising com diluição de sítios. A Dinâmica de tempos curtos em combinação com o método de Monte Carlos verificou que mesmo longe do equilíbrio termodinâmico o sistema já se mostra insensível aos detalhes microscópicos das interações locais e portanto, o seu comportamento universal pode ser estudado ainda no regime de não-equilíbrio, evitando-se o problema do alentecimento crítico ( critical slowing down ) a que sistema em equilíbrio fica submetido quando está na temperatura crítica. O trabalho de Huse e Janssen mostrou um comportamento universal e uma lei de escala nos sistemas críticos fora do equilíbrio e identificou a existência de um novo expoente crítico dinâmico θ, associado ao comportamento anômalo da magnetização. Fazemos uima breve revisão das transições de fase e fenômeno críticos. Descrevemos o modelo de Ising, a técnica de Monte Carlo e por final, a dinâmica de tempos curtos. Aplicamos a dinâmica de tempos curtos para o modelo de Insing ferromagnéticos em uma rede quadrada com diluição de sítios. Calculamos o expoente dinâmicos θ e z, onde verificamos que existe quebra de classe de universilidade com relação às diferentes concentrações de sítios (p=0.70,0.75,0.80,0.85,0.90,0.95,1.00). calculamos também os expoentes estáticos β e v, onde encontramos pequenas variações com a desordem. Finalmente, apresentamos nossas conclusões e possíveis extensões deste trabalho

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We have used ab initio calculations to investigate the electronic structure of SiGe based nanocrystals (NC s). This work is divided in three parts. In the first one, we focus the excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals. We also estimate the changes induced by the effect of strain the electronic structure. We show that Ge/Si (Si/Ge) NC s exhibits type II confinement in the conduction (valence) band. The estimated potential barriers for electrons and holes are 0.16 eV (0.34 eV) and 0.64 eV (0.62 eV) for Si/Ge (Ge/Si) NC s. In contradiction to the expected long recombination lifetimes in type II systems, we found that the recombination lifetime of Ge/Si NC s (τR = 13.39μs) is more than one order of magnitude faster than in Si/Ge NC s (τR = 191.84μs). In the second part, we investigate alloyed Si1−xGex NC s in which Ge atoms are randomly positioned. We show that the optical gaps and electron-hole binding energies decrease linearly with x, while the exciton exchange energy increases with x due to the increase of the spatial extent of the electron and hole wave functions. This also increases the electron-hole wave functions overlap, leading to recombination lifetimes that are very sensitive to the Ge content. Finally, we investigate the radiative transitions in Pand B-doped Si nanocrystals. Our NC sizes range between 1.4 and 1.8 nm of diameters. Using a three-levels model, we show that the radiative lifetimes and oscillator strengths of the transitions between the conduction and the impurity bands, as well as the transitions between the impurity and the valence bands are strongly affected by the impurity position. On the other hand, the direct conduction-to-valence band decay is practically unchanged due to the presence of the impurity

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In this work we investigate the stochastic behavior of a large class of systems with variable damping which are described by a time-dependent Lagrangian. Our stochastic approach is based on the Langevin treatment describing the motion of a classical Brownian particle of mass m. Two situations of physical interest are considered. In the first one, we discuss in detail an application of the standard Langevin treatment (white noise) for the variable damping system. In the second one, a more general viewpoint is adopted by assuming a given expression to the so-called collored noise. For both cases, the basic diffententiaql equations are analytically solved and al the quantities physically relevant are explicitly determined. The results depend on an arbitrary q parameter measuring how the behavior of the system departs from the standard brownian particle with constant viscosity. Several types of sthocastic behavior (superdiffusive and subdiffusive) are obteinded when the free pamameter varies continuosly. However, all the results of the conventional Langevin approach with constant damping are recovered in the limit q = 1

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Mira and R Coronae Borealis (R CrB) variable stars are evolved objects surrounded by circumstellar envelopes (CSE) composed of the ejected stellar material. We present a detailed high-spatial resolution morfological study of the CSE of three stars: IRC+10216, the closest and more studied Carbon-Rich Mira; o Ceti, the prototype of the Mira class; and RY Sagitarii (RY Sgr), the brightest R CrB variable of the south hemisphere. JHKL near-infrared adaptive optics images of IRC+10216 with high dynamic range and Vband images with high angular resolution and high depth, collected with the VLT/NACO and VLT/FORS1 instruments, were analyzed. NACO images of o Ceti were also analyzed. Interferometric observations of RY Sgr collected with the VLTI/MIDI instrument allowed us to explore its CSE innermost regions (»20 40 mas). The CSE of IRC+10216 exhibit, in near-infrared, clumps with more complex relative displacements than proposed in previous studies. In V-band, the majority of the non-concentric shells, located in the outer CSE layers, seem to be composed of thinner elongated shells. In a global view, the morphological connection between the shells and the bipolar core of the nebulae, located in the outer layers, together with the clumps, located in the innermost regions, has a difficult interpretation. In the CSE of o Ceti, preliminar results would be indicating the presence of possible clumps. In the innermost regions (.110 UA) of the CSE of RY Sgr, two clouds were detected in different epochs, embedded in a variable gaussian envelope. Based on a rigorous verification, the first cloud was located at »100 R¤ (or »30 AU) from the centre, toward the east-north-east direction (modulo 180o) and the second one was almost at a perpendicular direction, having aproximately 2£ the distance of the first cloud. This study introduces new constraints to the mass-loss history of these kind of variables and to the morphology of their innermost CSE regions

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In this work is presented a new method for the determination of the orbital period (Porb) of eclipsing binary systems based on the wavelet technique. This method is applied on 18 eclipsing binary systems detected by the CoRoT (Convection Rotation and planetary transits) satellite. The periods obtained by wavelet were compared with those obtained by the conventional methods: box Fitting (EEBLS) for detached and semi-detached eclipsing binaries; and polynomial methods (ANOVA) for contact binary systems. Comparing the phase diagrams obtained by the different techniques the wavelet method determine better Porb compared with EEBLS. In the case of contact binary systems the wavelet method shows most of the times better results than the ANOVA method but when the number of data per orbital cicle is small ANOVA gives more accurate results. Thus, the wavelet technique seems to be a great tool for the analysis of data with the quality and precision given by CoRoT and the incoming photometric missions.

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In the first part of this work our concern was to investigate the thermal effects in organic crystals using the theory of the polarons. To analyse such effect, we used the Fröhlich s Hamiltonian, that describes the dynamics of the polarons, using a treatment based on the quantum mechanics, to elucidate the electron-phonon interaction. Many are the forms to analyzing the polaronic phenomenon. However, the measure of the dielectric function can supply important information about the small polarons hopping process. Besides, the dielectric function measures the answer to an applied external electric field, and it is an important tool for the understanding of the many-body effects in the normal state of a polaronic system. We calculate the dielectric function and its dependence on temperature using the Hartree-Fock decoupling method. The dieletric function s dependence on the temperature is depicted by through a 3D graph. We also analyzed the so called Arrhenius resistivity, as a functionof the temperature, which is an important tool to characterize the conductivity of an organic molecule. In the second part we analyzed two perovskita type crystalline oxides, namely the cadmium silicate triclinic (CdSiO3) and the calcium plumbate orthorhombic (CaPbO3), respectively. These materials are normally denominated ABO3 and they have been especially investigated for displaying ferroelectric, piezoelectric, dielectrics, semiconductors and superconductors properties. We found our results through ab initio method within the functional density theory (DFT) in the GGA-PBE and LDA-CAPZ approximations. After the geometry optimization for the two structure using the in two approximations, we found the structure parameters and compared them with the experimental data. We still determined further the angles of connection for the two analyzed cases. Soon after the convergence of the energy, we determined their band structures, fundamental information to characterize the nature of the material, as well as their dielectrics functions, optical absorption, partial density of states and effective masses of electrons and holes

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In this work we study the phase transitions of the ferromagnetic three-color Ashkin-Teller Model in the hierarquical lattice generated by the Wheatstone bridge using real space renormalization group approach. With such technique we obtain the phase diagram and its critical points with respective critical exponents v. This model presents four phases: ferromagnetic, paramagnetic and two intermediates. Nine critical points were found, three of which are of Ising model type, three are of four states Potts model type, one is of eight states Potts model type and the last two which do not correspond to any Potts model with integer number of states. iv

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In this Thesis, we analyzed the formation of maxwellian tails of the distributions of the rotational velocity in the context of the out of equilibrium Boltzmann Gibbs statistical mechanics. We start from a unified model for the angular momentum loss rate which made possible the construction of a general theory for the rotational decay in the which, finally, through the compilation between standard Maxwellian and the relation of rotational decay, we defined the (_, _) Maxwellian distributions. The results reveal that the out of equilibrium Boltzmann Gibbs statistics supplies us results as good as the one of the Tsallis and Kaniadakis generalized statistics, besides allowing fittings controlled by physical properties extracted of the own theory of stellar rotation. In addition, our results point out that these generalized statistics converge to the one of Boltzmann Gibbs when we inserted, in your respective functions of distributions, a rotational velocity defined as a distribution

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The purpose of this study is to describe the implementation of the Low Energy Electron Diffaction (LEED) technique in the Laboratory of Magnetic Nanostructures and Semiconductors of the Department of Theoretical and Experimental Physics of the Universidade Federal do Rio Grande do Norte (UFRN), Natal, Brazil. During this work experimental apparatus were implemented for a complete LEED set-up. A new vacuum system was also set up. This was composed of a mechanical pump, turbomolecular pump and ionic pump for ultra-high vacuum and their respective pressure measurement sensors (Pirani gauge for low vacuum measures and the wide range gauge -WRG); ion cannon maintenance, which is basically mini-sputtering, whose function is sample cleaning; and set-up, maintenance and handling of the quadrupole mass spectrometer, whose main purpose is to investigate gas contamination inside the ultra-high vacuum chamber. It should be pointed out that the main contribution of this Master's thesis was the set-up of the sample heating system; that is, a new sample holder. In addition to the function of sample holder and heater, it was necessary to implement the function of sustaining the ultra-high vacuum environment. This set of actions is essential for the complete functioning of the LEED technique

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We present a nestedness index that measures the nestedness pattern of bipartite networks, a problem that arises in theoretical ecology. Our measure is derived using the sum of distances of the occupied elements in the adjacency matrix of the network. This index quantifies directly the deviation of a given matrix from the nested pattern. In the most simple case the distance of the matrix element ai,j is di,j = i+j, the Manhattan distance. A generic distance is obtained as di,j = (i¬ + j¬)1/¬. The nestedness índex is defined by = 1 − where is the temperature of the matrix. We construct the temperature index using two benchmarks: the distance of the complete nested matrix that corresponds to zero temperature and the distance of the average random matrix that is defined as temperature one. We discuss an important feature of the problem: matrix occupancy. We address this question using a metric index ¬ that adjusts for matrix occupancy

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One of the main goals of CoRoT Natal Team is the determination of rotation period for thousand of stars, a fundamental parameter for the study of stellar evolutionary histories. In order to estimate the rotation period of stars and to understand the associated uncertainties resulting, for example, from discontinuities in the curves and (or) low signal-to-noise ratio, we have compared three different methods for light curves treatment. These methods were applied to many light curves with different characteristics. First, a Visual Analysis was undertaken for each light curve, giving a general perspective on the different phenomena reflected in the curves. The results obtained by this method regarding the rotation period of the star, the presence of spots, or the star nature (binary system or other) were then compared with those obtained by two accurate methods: the CLEANest method, based on the DCDFT (Date Compensated Discrete Fourier Transform), and the Wavelet method, based on the Wavelet Transform. Our results show that all three methods have similar levels of accuracy and can complement each other. Nevertheless, the Wavelet method gives more information about the star, from the wavelet map, showing the variations of frequencies over time in the signal. Finally, we discuss the limitations of these methods, the efficiency to give us informations about the star and the development of tools to integrate different methods into a single analysis

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Double radio sources have been studied since the discovery of extragalactic radio sources in the decade of 1930. Since then, several numerical studies and analytical models have been proposed seeking a better understanding of the physical phenomena that determines the origin and evolution of such objects. In this thesis, we intended to study the evolution problem of the double radio sources in two fronts: in the ¯rst we have developed an analytical self-similar model that represents a generalization of most models found in the literature and solve some existent problems related to the jet head evolution. We deal with this problem using samples of hot spot sizes to ¯nd a power law relation between the jet head dimension and the source length. Using our model, we were able to draw the evolution curves of the double sources in a PD diagram for both compact sources (GPS and CSS) and extended sources of the 3CR catalogue. We have alson developed a computation tool that allows us to generate synthetic radio maps of the double sources. The objective is to determine the principal physical parameters of those objects by comparing synthetic and observed radio maps. In the second front, we used numeric simulations to study the interaction of the extra- galactic jets with the environment. We simulated situations where the jet propagates in a medium with high density contrast gas clouds capable to block the jet forward motion, forming the distorted structures observed in the morphology of real sources. We have also analyzed the situation in which the jet changes its propagation direction due to a change of the source main axis, creating the X-shaped sources. The comparison between our simulations and the real double radio sources, enable us to determine the values of the main physical parameters responsible for the distortions observed in those objects

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In this work we deposit via non-reactive magnetron sputtering of radio-frequency nanofilmes of nitreto of aluminum(AlN). The nanofilms aluminum nitride are semiconductors materials with high thermal conductivity, high melting point, piezoelectricity and wide band gap (6, 2 eV) with hexagonal wurtzite crystal structure, belonging to the group of new materials called III-V nitrides in which together with the gallium nitride and indium nitride have attracted much interest because they have physical and chemical properties relevant to new technological applications, mainly in microelectronic and optoelectronic devices. Three groups were deposited with thicknesses nanofilms time dependent on two substrates (glass and silicon) at a temperature of 25 ° C. The nanofilms AlN were characterized using three techniques, X-ray diffraction, Raman spectroscopy and atomic force microscopy (AFM), examined the morphology of these. Through the analysis of X-rays get the thickness of each sample with its corresponding deposition rate. The analysis of X-rays also revealed that nanofilms are not crystalline, showing the amorphous character of the samples. The results obtained by the technique, atomic force microscopy (AFM) agree with those obtained using the technique of X-rays. Characterization by Raman spectroscopy revealed the existence of active modes characteristic of AlN in the samples

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A rotação estelar é um dos mais importantes observáveis da evolução estelar. Neste sentido, o satélite CoRoT representa uma oportunidade única de medir os períodos rotacionais para uma amostra de estrelas estatisticamente robusta, oferecendo dados absolutamente necessários para o estudo da rotação e seu papel na evolução estelar. Para conseguir isto, um passo fundamental é a caracterização física e química das estrelas observadas pelo CoRoT, especificamente devido ao fato de que o cálculo de períodos rotacionais confiáveis é um trabalho difícil sem a ajuda dos parâmetros estelares. Desta forma, foi elaborado um importante seguimento observacional das estrelas nos campos do CoRoT do anticentro LRa01 e do centro LRc01, permitindo a correta identificação dos períodos que reflitam a modulação rotacional. Nesta tese de doutorado são apresentados os resultados de tal seguimento. Parâmetros físicos e químicos, tais como temperatura efetiva Teff , gravidade superficial log(g), velocidade de microturbulência Vmic, abundância de ferro [Fe/H], velocidade de rotação projetada Vsin(i), e abundância de lítio A(Li) são apresentados para uma amostra de 116 estrelas dos campos CoRoT. Elas se encontram em diferentes estágios evolutivos, desde a sequência principal (SP) até o ramo das gigantes vermelhas (GV). As observações foram feitas utilizando os espectrógrafos UVES (VLT) e HYDRA (CTIO). Para a derivação de tais parâmetros foram utilizados o programa TurboSpectrum e os modelos de atmosfera de MARCS. Paralelamente, velocidades rotacionais Vsin(i) foram obtidas a partir do ajuste dos perfis observados e sintéticos das linhas de ferro e por meio de uma calibração de função de correlação cruzada (CCF). Períodos rotacionais Prot para 77 estrelas da amostra foram obtidos a partir das curvas de luz do satélite CoRoT. Extensas tabelas destes parâmetros e seus respectivos erros são apresentadas. Foram encontradas diferenças nas distribuições de Teff , [Fe/H] e estágios evolutivos entre os diferentes campos do CoRoT, indicando possíveis efeitos de seleção na amostra, assim como a existência de diferentes populações estelares do disco Galáctico. Por outro lado, o comportamento rotacional e as abundâncias de lítio não apresentam diferenças entre estrelas de parâmetros físicos similares, mas que pertencem a diferentes campos do CoRoT. A partir da análise de temperaturas, foi encontrada uma maior extinção por avermelhamento para estrelas do CoRoT localizadas no campo LRc01, assim como um gradiente deste valor em função da distância. Os resultados mostram que as abundâncias de lítio, as velocidades de rotação e os períodos rotacionais apresentam o mesmo comportamento descrito na literatura. Por outro lado, é apresentada pela primeira vez a relação que existe entre o lítio e o período de rotação em diferentes estágios evolutivos, mostrando, tal como era esperado, que ambas as grandezas possuem uma anticorrelação. Também é apresentada a evolução simultânea da rotação e do lítio, e foram calculadas relações que permitem obter valores médios de A(Li) como função da temperatura efetiva e do período rotacional. Os dados apresentados nesta tese de doutorado representam um importante ponto de partida para serem utilizados como uma amostra de calibração para diferentes programas no contexto da missão do satélite CoRoT, uma vez que a lista de estrelas aqui analisadas são parte das mais brilhantes que compõem o campo Exo do CoRoT

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We use a finite diference eulerian numerical code, called ZEUS 3D, to do simulations involving the collision between two magnetized molecular clouds, aiming to evaluate the rate of star formation triggered by the collision and to analyse how that rate varies depending on the relative orientations between the cloud magnetic fields before the shock. The ZEUS 3D code is not an easy code to handle. We had to create two subroutines, one to study the cloud-cloud collision and the other for the data output. ZEUS is a modular code. Its hierarchical way of working is explained as well as the way our subroutines work. We adopt two sets of different initial values for density, temperature and magnetic field of the clouds and of the external medium in order to study the collision between two molecular clouds. For each set, we analyse in detail six cases with different directions and orientations of the cloud magnetic field relative to direction of motion of the clouds. The analysis of these twelve cases allowed us to conform analytical-theoretical proposals found in the literature, and to obtain several original results. Previous works indicate that, if the cloud magnetic fields before the collision are orthogonal to the direction of motion, then a strong inhibition of star formation will occur during a cloud-cloud shock, whereas if those magnetic fields are parallel to the direction of motion, star formation will be stimulated. Our treatment of the problem confirmed numerically those results, and further allowed us to quantify the relative star forming efficiencies in each case. Moreover, we propose and analyse an intermediate case where the field of one of the clouds is orthogonal to the motion and the field of the other one is parallel to the motion. We conclude that, in this case, the rate at which the star formation occurs has a value also intermediate between the two extreme cases we mentioned above. Besides that we study the case in which the fields are orthogonal to the direction of the motion but, instead of being parallel to each other, they are anti-parallel, and we obtained for this case the corresponding variation of the star formation rate due to this alteration of the field configuration. This last case has not been studied in the literature before. Our study allows us to obtain, from the simulations, the rate of star formation in each case, as well as the temporal dependence of that rate as each collision evolves, what we do in detail for one of the cases in particular. The values we obtain for the rate of star formation are in accordance with those expected from the presently existing observational data