Propriedades física de molécilas orgânicas e compostos do tipo perovskita CdSiO3 e CaPbO3

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

Conexão entre as redes complexas e estatística de Kaniadakis e busca eficiente das propriedades críticas do processo epidêmico difusivo 1D

In this work we study a connection between a non-Gaussian statistics, the Kaniadakis statistics, and Complex Networks. We show that the degree distribution P(k)of a scale free-network, can be calculated using a maximization of information entropy in the context of non-gaussian statistics. As an example, a numerical analysis based on the preferential attachment growth model is discussed, as well as a numerical behavior of the Kaniadakis and Tsallis degree distribution is compared. We also analyze the diffusive epidemic process (DEP) on a regular lattice one-dimensional. The model is composed of A (healthy) and B (sick) species that independently diffusive on lattice with diffusion rates DA and DB for which the probabilistic dynamical rule A + B → 2B and B → A. This model belongs to the category of non-equilibrium systems with an absorbing state and a phase transition between active an inactive states. We investigate the critical behavior of the DEP using an auto-adaptive algorithm to find critical points: the method of automatic searching for critical points (MASCP). We compare our results with the literature and we find that the MASCP successfully finds the critical exponents 1/ѵ and 1/zѵ in all the cases DA =DB, DA DB. The simulations show that the DEP has the same critical exponents as are expected from field-theoretical arguments. Moreover, we find that, contrary to a renormalization group prediction, the system does not show a discontinuous phase transition in the regime o DA >DB.

Estudo de sistemas complexos com interações de longo alcance : percolação, redes e tráfego

In this thesis we investigate physical problems which present a high degree of complexity using tools and models of Statistical Mechanics. We give a special attention to systems with long-range interactions, such as one-dimensional long-range bondpercolation, complex networks without metric and vehicular traffic. The flux in linear chain (percolation) with bond between first neighbor only happens if pc = 1, but when we consider long-range interactions , the situation is completely different, i.e., the transitions between the percolating phase and non-percolating phase happens for pc < 1. This kind of transition happens even when the system is diluted ( dilution of sites ). Some of these effects are investigated in this work, for example, the extensivity of the system, the relation between critical properties and the dilution, etc. In particular we show that the dilution does not change the universality of the system. In another work, we analyze the implications of using a power law quality distribution for vertices in the growth dynamics of a network studied by Bianconi and Barabási. It incorporates in the preferential attachment the different ability (fitness) of the nodes to compete for links. Finally, we study the vehicular traffic on road networks when it is submitted to an increasing flux of cars. In this way, we develop two models which enable the analysis of the total flux on each road as well as the flux leaving the system and the behavior of the total number of congested roads

Efeitos interfaciais em heteroestruturas quânticas nô-abruptas: GaAs/ALxGa1-xAs

Um minuncioso estudo das propriedades de confinamento em heterostructuras bidimensionais(poços quânticos) GaAs/AlxGa1_xAs, com interfaces graduais é realizado. Um modelo teórico que represente bem a variação da fração molar do alumínio nas interfaces, resultante do aparecimento de micro-rugosidades e ilhas durante os processos de crescimento e recozimento pós-crescimento da amostra, é elaborado. Vários perfis desta fração molar de alumínio nas interfaces são considerados. Soluções analíticas da equação de Schrodinger, na aproximação da massa efetiva constatne nas interfaces, resultando em equações transcendentais, que possibilitam a obtenção dos níveis de energia dos portadores, decorrentes do seu confinamento quântico, são apresentadas. Energias de ligação e de confinamento de excitons 2D, utilizando-se um método analítico e numerérico e a aproximação do potencial efetivo, são também calculadas. Resultados numéricos para os níveis de energia dos portadores e para as energias de ligação e de confinamento dos excitons 2D, em poços quânticos GaAs/Al0.35Ga0.65As não-abruptos, sem e com a presença de campo elétrico aplicado para vários perfis interfaciais da fração de molar, são mostrados. Para a obtenção desses resultados, faz-se uso do método dos degraus múltiplos e da técnica da matriz de transferência, e adota-se, como operador de energia cinética, o de Ben-Daniel e Duque para uma massa efetiva dependente da posição. Conclui-se que um modelo que leva em conta a existência de interfaces não-abruptas e seus diversos perfis é indispensável para uma melhor descrição das propriedades opto-eletrônicas de poços quânticos GaAs/AlxGa1-xAs, enquanto que a aproximação das interfaces abruptas apresenta-se bastante limitada

Análises estatísticas em redes complexas: propriedades topológicas, críticas e dinâmicas

In this thesis, we address two issues of broad conceptual and practical relevance in the study of complex networks. The first is associated with the topological characterization of networks while the second relates to dynamical processes that occur on top of them. Regarding the first line of study, we initially designed a model for networks growth where preferential attachment includes: (i) connectivity and (ii) homophily (links between sites with similar characteristics are more likely). From this, we observe that the competition between these two aspects leads to a heterogeneous pattern of connections with the topological properties of the network showing quite interesting results. In particular, we emphasize that there is a region where the characteristics of sites play an important role not only for the rate at which they get links, but also for the number of connections which occur between sites with similar and dissimilar characteristics. Finally, we investigate the spread of epidemics on the network topology developed, whereas its dissemination follows the rules of the contact process. Using Monte Carlo simulations, we show that the competition between states (infected/healthy) sites, induces a transition between an active phase (presence of sick) and an inactive (no sick). In this context, we estimate the critical point of the transition phase through the cumulant Binder and ratio between moments of the order parameter. Then, using finite size scaling analysis, we determine the critical exponents associated with this transition

Em busca de um novo indicador Espectroscópico do período de rotação das Estrelas do tipo solar

The study of sunspots consistently contributed to a better understanding of magnetic phenomena of the Sun, as its activity. It was found with the dynamics of sunspots that the Sun has a rotation period of twenty-seven days around your axis. With the help of Project Sun-As-A-Star that solar spectra obtained for more than thirty years we observed oscillations of both the depth of the spectral line and its equivalent width, and analysis of the return information about the characteristics of solar magnetism. It also aims to find patterns of solar magnetic activity cycle and the average period of rotation of the Sun will indicate the spectral lines that are sensitive to magnetic activity and which are not. Sensitive lines how Ti II 5381.0 Å stands as the best indicator of the solar rotation period and also shows different periods of rotation cycles of minimum and maximum magnetic activity. It is the first time we observe clearly distinct rotation periods in the different cycles. The analysis also shows that Ca II 8542.1 Å and HI 6562.0 Å indicate the cycle of magnetic activity of eleven years. Some spectral lines no indicated connection with solar activity, this result can help us search for programs planets using spectroscopic models. Data analysis was performed using the Lomb-Scargle method that makes the time series analysis for unequally spaced data. Observe different rotation periods in the cycles of magnetic activity accounts for a discussion has been debated for many decades. We verified that spectroscopy can also specify the period of stellar rotation, thus being able to generalize the method to other stars

Propriedades críticas de sistemas fora do equilíbrio via simulação Monte Carlo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fraturas e caminhos ótimos na rede de Barabasi-Albert

Following the study of Andrade et al. (2009) on regular square lattices, here we investigate the problem of optimal path cracks (OPC) in Complex Networks. In this problem we associate to each site a determined energy. The optimum path is defined as the one among all possible paths that crosses the system which has the minimum cost, namely the sum of the energies along the path. Once the optimum path is determined, at each step, one blocks its site with highest energy, and then a new optimal path is calculated. This procedure is repeated until there is a set of blocked sites forming a macroscopic fracture which connects the opposite sides of the system. The method is applied to a lattice of size L and the density of removed sites is computed. As observed in the work by Andrade et al. (2009), the fractured system studied here also presents different behaviors depending on the level of disorder, namely weak, moderated and strong disorder intensities. In the regime of weak and moderated disorder, while the density of removed sites in the system does not depend of the size L in the case of regular lattices, in the regime of high disorder the density becomes substantially dependent on L. We did the same type of study for Complex Networks. In this case, each new site is connected with m previous ones. As in the previous work, we observe that the density of removed sites presents a similar behavior. Moreover, a new result is obtained, i.e., we analyze the dependency of the disorder with the attachment parameter m

Contribuições ao estudo das redes complexas: modelo de qualidade

In this work we analyse the implications of using a power law distribution of vertice's quality in the growth dynamics of a network studied by Bianconi anel Barabási. In particular, we start studying the random networks which characterize or are related to some real situations, for instance the tide movement. In this context of complex networks, we investigate several real networks, as well as we define some important concepts in the network studies. Furthermore, we present the first scale-free network model, which was proposed by Barabási et al., and a modified model studied by Bianconi and Barabási, where now the preferential attachment incorporates the different ability (fitness) of the nodes to compete for links. At the end, our results, discussions and conclusions are presented

Prospecção de genes associados ao processo de floração em tomateiro.

Flowering is a process marked by switch of shoot apical meristem to floral meristem, and it involves a complex regulation by endogenous and environmental factors. Analyses of key flowering genes have been carried out primarily in Arabidopsis thaliana and have provided a foundation for understanding the underlying molecular genetic mechanisms controlling different aspects of floral development. Several homologous have been found in other species, but for crops species such as tomatoes this process is not well known. The aim of this work was to use the genetic natural variation associated to the flowering process and use molecular tools such as subtractive libraries and real time PCR in order to identify and analyze the expression from genes that may be associated to flowering in these two species: L. esculentum cv Micro-Tom and L. pimpinellifolium. Our results showed there were identified many genes related to vegetative and possibly to the flowering process. There were also identified many sequences that were unknown. We ve chosen three genes to analyze the expression by real time PCR. The histone H2A gene gave an expression higher in L. pimpinellifolium, due to this the expression of this gene may be associated to flowering in this specie. It was also analyzed the expression of an unknown gene that might be a key factor of the transition to flowering, also in L. pimpinellifolium. For the elongation factor 1-α expression, the expression results were not informative, so this gene may have a constitutive expression in vegetative and flowering state. The results observed allowed us to identify possible genes that may be related to the flowering process. For further results it will be necessary a better characterization of them.

A festa da urbe e o nascimento da cidade: A Cidade Antiga como prelúdio da modernidade

This work is a result of an research that aims to understand in which way the work The Ancient City of the French historian Fustel de Coulanges built a moral model for the institutions and for the construction of the French territory in the century XIX understood like The Modern City . Our intention is to present a study on the way like the ancient city it was built, when nationalist of century XIX is taking into account his connections with the space reforms and the discussion in France. In this sense, we go besides the works of the historiography of the century XIX on this subject and of the articles and tests of the beginning of the century XX, when urbanity planner tied the narrative Scientifics of Fustel with the discussion in France of this period and his contribution, through this connection between history and space, with the national education of the individuals and the formation of the French identity. In this way, we understand which History, Nation and Space were the bases of sustenance of the theory of Coulanges about The Ancient City and of the formation of the French territory. Besides, the discussion historiography between Frenchmen and Germans on the origins of his respective nations influenced Coulanges the perspective of narrating a history of the Antiquity, taking into account the cultural approach of the past and the modern Institutions

Música dos espaços: paisagem sonora do Nordeste no movimento armorial

This work exams the presence of music in the imaginary constitution of spaces, taking as study s object part of the musical production of the Armorial Movement, officially casted in 1970 in the city of Recife, Pernambuco. From that so called, by the Armorial s discourse, the essence of the brazilian northeastern popular art , the armorialists has intended to make an art that express an idea of northeasternity and brazility . Tries to demonstrate how the music has exerted a basic function of condensation and spreading of the armorial aesthetics, auditorily delimiting the territory of Brazilian Northeastern and, at the same time, trying to impose a sonority to it. This work still analyses the elaboration of what would be a proper soundscape of the Northeastern and how this elaboration passes trough the desire of crystallization of an idealized space, perpetual, escape line of the characteristic modernizing and postmodernizing experience of the twentieth century, product, in turn, of the anxiety of conservation of the Northeastern as a shelter to the traditions that has been evidenced by the construction of an visibility and, also, an audibility to the so called northeastern universe. It analyses, too, the way as works the confrontation between the idea of a so called northeastern soundscape - sonorous events set taken as typical from the rural space - and a sonorous archives series produced since 1920 with the regionalist discourse, showing how was elaborated an armorial music that has intended to represent the brazilian Northeastern. It evidences how, to the elaboration of armorial music, it was managed elements from the European musical culture so called scholar. It argues that the utilization of, to the manufacture of the armorial thinking and aesthetics, of a European mimical capital, so called that way by Stephen Greenblat, was consequence of the intellectual leadership of the Movement, centered in the writer Ariano Suassuna. It argues that Suassuna, followed by the musicians and the artists of the Movement, has searched to evidence a genetic linking between what he has considered the Brazilian true popular art and the medieval Iberian culture. For in such a way, the music was taken as a formation element of the social imaginary and directed to verify a relationship between the Northeastern idealized by the Armorial and the music produced by the Movement. This work has searched, therefore, through the analysis of the armorial music, to study the possible confluences between music and the space that has produced it to, by this analysis, to think the complicity between music and history

Análise de grafos aplicada a relatos de sonhos: ferramenta diagnóstica objetiva e diferencial para psicose esquizofrênica e bipolar

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Synthesis, characterization and thermal behaviour of solid-state compounds of 4-methoxybenzoate with lanthanum (III) and trivalent lighter lanthanides

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Expressão imuno-hitoquímica das proteínas RANK, RANKL e OPG em cistos radiculares e cistos dentígeros

Receptor ativador nuclear κappa B (RANK), ligante do receptor ativador nuclear κappa B (RANKL) e osteoprotegerina (OPG) são membros da família do fator de necrose tumoral relacionados com o metabolismo ósseo. A formação, diferenciação e atividade dos osteoclastos são reguladas por estas três proteínas. RANK é um receptor transmembrana presente em diversos tipos celulares, principalmente em células de linhagem macrofágica, linfócitos, células dendríticas e fibroblastos e quando ativado pelo seu ligante, RANKL, promove a diferenciação e ativação de células osteoclásticas responsáveis pelo processo de reabsorção óssea. A OPG impede a ligação RANK/RANKL atuando como um receptor inibitório para a atividade osteolítica. O objetivo deste estudo foi comparar a expressão imuno-histoquímica destes biomarcadores em cistos radiculares (n=20) e cistos dentígeros (n=20). A expressão imuno-histoquímica destes marcadores foi avaliada no epitélio e na cápsula dos cistos por escores e percentuais médios de imunomarcação. Para o epitélio, a análise semi-quantitativa revelou um padrão similar dos escores de imunomarcação de RANK, RANKL e OPG nas lesões, não havendo diferença estatística significante (p=0.589, p=0.688, p=0.709, respectivamente). Para a cápsula cística a análise quantitativa, mostrou diferença estatística significante entre os percentuais médios de imunomarcação do RANK e RANKL (p=0,001 e p=0,005, respectivamente) nos cistos. A correlação dos escores de imunomarcação de RANKL e OPG no epitélio do CR e do CD revelou diferença estatística significante (p=0,029, p=0,003, respectivamente). No epitélio dos CRs e dos CDs observou-se uma maior imunoexpressão da OPG comparada a do RANKL. Os resultados apontam a presença de RANK, RANKL e OPG nos cistos radiculares e cistos dentígeros, sugerindo a atuação destas proteínas no desenvolvimento e expansão das lesões no osso adjacente