941 resultados para Energy level


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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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O avanço nas áreas de comunicação sem fio e microeletrônica permite o desenvolvimento de equipamentos micro sensores com capacidade de monitorar grandes regiões. Formadas por milhares de nós sensores, trabalhando de forma colaborativa, as Redes de Sensores sem Fio apresentam severas restrições de energia, devido à capacidade limitada das baterias dos nós que compõem a rede. O consumo de energia pode ser minimizado, permitindo que apenas alguns nós especiais, chamados de Cluster Head, sejam responsáveis por receber os dados dos nós que formam seu cluster e propagar estes dados para um ponto de coleta denominado Estação Base. A escolha do Cluster Head ideal influencia no aumento do período de estabilidade da rede, maximizando seu tempo de vida útil. A proposta, apresentada nesta dissertação, utiliza Lógica Fuzzy e algoritmo k-means com base em informações centralizadas na Estação Base para eleição do Cluster Head ideal em Redes de Sensores sem Fio heterogêneas. Os critérios usados para seleção do Cluster Head são baseados na centralidade do nó, nível de energia e proximidade para a Estação Base. Esta dissertação apresenta as desvantagens de utilização de informações locais para eleição do líder do cluster e a importância do tratamento discriminatório sobre as discrepâncias energéticas dos nós que formam a rede. Esta proposta é comparada com os algoritmos Low Energy Adaptative Clustering Hierarchy (LEACH) e Distributed energy-efficient clustering algorithm for heterogeneous Wireless sensor networks (DEEC). Esta comparação é feita, utilizando o final do período de estabilidade, como também, o tempo de vida útil da rede.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Pós-graduação em Ciência e Tecnologia de Materiais - FC

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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

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

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It is often assumed that the hydrogen atoms in the thiol groups of a benzene-1,4-dithiol dissociate when Au-benzene-1,4-dithiol-Au junctions are formed. We demonstrate, by stability and transport property calculations, that this assumption cannot be made. We show that the dissociative adsorption of methanethiol and benzene-1,4-dithiol molecules on a flat Au(111) surface is energetically unfavorable and that the activation barrier for this reaction is as high as 1 eV. For the molecule in the junction, our results show, for all electrode geometries studied, that the thiol junctions are energetically more stable than their thiolate counterparts. Due to the fact that density functional theory (DFT) within the local density approximation (LDA) underestimates the energy difference between the lowest unoccupied molecular orbital and the highest occupied molecular orbital by several electron-volts, and that it does not capture the renormalization of the energy levels due to the image charge effect, the conductance of the Au-benzene-1,4-dithiol-Au junctions is overestimated. After taking into account corrections due to image charge effects by means of constrained-DFT calculations and electrostatic classical models, we apply a scissor operator to correct the DFT energy level positions, and calculate the transport properties of the thiol and thiolate molecular junctions as a function of the electrode separation. For the thiol junctions, we show that the conductance decreases as the electrode separation increases, whereas the opposite trend is found for the thiolate junctions. Both behaviors have been observed in experiments, therefore pointing to the possible coexistence of both thiol and thiolate junctions. Moreover, the corrected conductance values, for both thiol and thiolate, are up to two orders of magnitude smaller than those calculated with DFT-LDA. This brings the theoretical results in quantitatively good agreement with experimental data.

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The aim of this work was the development a computer code for simulation and analysis of atomic spectra from databases constructed from the literature. There were created four routines that can be useful for spectroscopic studies in the atomic processes of laser isotope separation. In the first routine, Possible Transitions, the program checks the possible electron transitions from an energy level of the atom present in the database considering the selection rules for an electric dipole transition. The second routine, Locator Transitions, checks the possible electronic transitions within a user-specified spectral region. The routine Spectra Simulator creates simulated spectra using the graphical application gnuplot through lorentzian curve and finally, the routine Electronic Temperature determines the temperature of electronic excitation of the atom, thought the Boltzmann Plot Method. To test the reliability of the program there were obtained experimental emission spectra of a hollow cathode discharge of dysprosium and argon as a buffer gas. The hollow cathode discharge has been subjected to different values of operating currents and pressure of inert gas. The spectra obtained were treated with the assistance of program routines developed (Transition Locator and Spectra Simulator) and temperatures electronic excitation of the atoms of dysprosium in the different discharge conditions were calculated (routine Electronic Temperature). The results showed that the electronic excitation temperature of the neutral dysprosium atoms in the hollow cathode discharge increases with increasing current applied to the cathode and also by increasing the gas pressure buffer. The determination coefficients, R2, obtained by the Electronic Temperature routine using the linear adjust of the Boltzmann Plot Method were greater... (Complete abstract click electronic access below)