Aplicação de métodos teóricos na investigação da transferência auto-consistente de elétrons em nano-retificador orgânico

Neste trabalho apresentamos um estudo teórico da estrutura eletrônica de uma molécula do tipo Doador-dinitrobenzene e um grupo Aceitador-dihydrophenazine (D-A) com pontes poliênicas variando de π = 0 à π = 10. Trata-se de um sistema promissor para o desenvolvimento de retificadores moleculares, que sob dopagem química podem vir a adquirir propriedades elétricas de material condutor. E ainda, sob ação de campo elétrico externo apresenta comportamento equivalente ao de dispositivos usuais, mas com inúmeras vantagens como, por exemplo, tamanho extremamente reduzido e intensa resposta ótica em regime não-linear. Para estudar esse sistema, fizemos otimizações de geometria sistematicamente, levando em conta cálculos de ZINDO/S-CIS (Zerner´s Intermediate Neglect of Differential Orbital/Spectroscopic – Configuration Interaction Single) que utilizam 220 configurações em média. Observamos uma transferência eletrônica calculada por métodos derivados de Hartree-Fock. Nossos resultados mostram uma delocalização bem definida dos Orbitais Moleculares de Fronteira (OMFs) HOMO[LUMO] nos grupos D[A] para molécula com ponte poliênica relativamente grande. Para estruturas com ponte poliênica relativamente pequena o contrário é observado, e uma uniformidade dos OMFs nos terminais DA é verificada. O que indicaria que somente as estruturas com ponte poliênica relativamente grande seriam promissoras pra criação de dispositivos, tendo LUMO como canal de condução. Um estudo detalhado do rearranjo de carga molecular para a mesma estrutura, sob a ação de um campo elétrico externo mostrou que o transporte de carga no grupo D[A] independe do tamanho da ponte poliênica. A voltagem aplicada é intensa o bastante para criar um potencial de saturação para este sistema com grupos DA muito próximos (evidenciando uma região de saturação e uma região de operação para sistemas com pontes pequenas), normalmente presente e sistemas com ponte molecular relativamente grande e nos dispositivos semicondutores macroscópicos. Acreditamos que o OMF LUMO desempenha um papel importante no que diz respeito ao transporte de carga em estruturas relativamente grandes, seguido de falhas em estruturas moleculares onde o grupo D está muito próximo do A. Nossos resultados mostram que temos um retificador molecular que pode trabalhar corretamente como um retificador macroscópico.

Estudo do transporte eletrônico em nanoestruturas baseadas em carotenoides e tétrades com fulereno C60

Neste Trabalho é apresentado um estudo teórico da estrutura eletrônica de uma molécula de fulereno C60 com junções em quatro terminais baseados em grupos doadores de elétron – etratiofulvaleno (TTF) – e grupos aceitadores de elétrons – fenilpropanodinila (FPP) e dispositivos moleculares baseados em derivados dos Carotenoides. O mecanismo de transporte investigado para os derivados dos Carotenoides foram utilizados para o melhor entendimento das curvas de Fowler- Nordheim (FN) e Millikan-Lauritsen (ML) para os sistemas baseados em fulereno C60. Em todos os casos foi possível confirmar que a análise empírica de Millikan-Lauritsen (ML) também é suficiente para descrever em todos os aspectos a espectroscopia de voltagem de transição (TVS). Para estudar os sistemas, foram feitas otimizações de geometria sistematicamente e observado uma transferência eletrônica calculada por métodos derivados de Hartree-Fock e Teoria do Funcional Densidade (DFT). Os resultados apresentados mostram um estudo detalhado do rearranjo de carga molecular para a estrutura, que sob a ação de um campo elétrico externo apontou que o transporte de carga está diretamente ligado ao tipo de junção que esse sistema é submetido de forma que a voltagem aplicada é intensa o bastante para criar um potencial de saturação nos sistemas em estudo: fulereno C60 com três terminais de tetratiofulvaleno e um terminal de fenil-propanodinila (C60-(TTF)₃-FPP); fulereno C60 com quatros terminais de fenil-propanodinila (C60-(FPP)₄). Os resultados mostram que se tem um retificador molecular que pode trabalhar corretamente como um retificador macroscópico.

Desgaste de dressadores de ponta única fabricados com diamantes cvd nacionais

This study attempted to observe the performance of three types of diamonds, two natural and one synthetic, to determine which features longer life and greater wear than the others. The methodology employed in this study was to dressed an aluminum oxide grinding wheel, and every twenty paces with a advance of depth dressing of 40 µm per passes, take an image of the tip in a horizontal position and the other in the vertical position of this diamond in a stereoscopic. Thereafter, the dresser was replaced in the rectifier to conduct a new dressing. The criteria to completion of the test was the spark generated by the grinding wheel contact with the base of the dresser, which indicates the end of the contact with the diamond wheel. After the tests, was calculated the areas worn of each diamond in accordance with each image obtained through the aid of a graphics software. The data were then arranged in graphs.

Estudo de controladores aplicados a inversores para UPS com operação ilhada

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Conversor para pulsos elétricos de alta tensão, de curta duração, para processos de geração de ozônio

Pós-graduação em Engenharia Elétrica - FEIS

Desenvolvimento de um conversor estático PWM para o acionamento de LED’S para iluminação publica

This work deals with the development of a switched-mode power supply circuit based on a Buck topology converter with a Boost Rectifier One-Cycle Control with Power Factor Correction developing, thus, a source of direct current for a module of 50 power LEDs that will be used in a lamp for public street lightning. It is presented, at first, some aspects about the most common technologies used in lamps of public street lightning in Brazil and a comparison with the White LED high power, which is the one that presents itself as the most promising among the existing market. Then it is presented the detailed development of the static converter switched PWM, consisting of a Boost rectifier with power factor correction and methodology of control One-Cycle Control associated with a Buck converter controlled by a PI method that operates as a direct current source . At the end of the simulation results of the circuit through the PSIM software are presented to verify the design behavior

Desenvolvimento de estrutura para purificação de água potável, através da irradiação de UV com lâmpadas fluorescentes especiais

Pós-graduação em Engenharia Elétrica - FEIS

Análise de geradores piezelétricos acoplados com circuitos retificadores operando em regime caótico

Pós-graduação em Engenharia Mecânica - FEIS

Sistema de geração e armazenamento de energia elétrica utilizando transdutor piezelétrico na forma pulsada

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Projeto de controladores robustos para acionamento de um motor de indução trifásico

Pós-graduação em Engenharia Elétrica - FEIS

Retificador entrelaçado com elevado fator de potência para operação de um veículo trólebus alimentado por redes em CA Ou CC

This paper presents the development and the main results for an interleaved boost rectifier operating as a special input power stage for a trolleybus type vehicle, allowing its feeding by alternate current (AC) or direct current (DC) distribution power systems. When feeding with two wires (single phase) alternate current distribution system, the converter accomplish active power factor correction, providing a relatively sinusoidal current with low total harmonic distortion (THD) and fully complying with IEC 61000-3-4 standards. In addition, a management control system promotes the required automatic operation changes for the proposed rectifier when the vehicle is changing from the DC distribution power system to the AC distribution power system and vice-versa, keeping its original electrical DC system characteristics for the adjustable speed driver sub-system. The main experimental results for a prototype rated at 150kW are presented, considering its application for a trolleybus with DC adjustable speed driver, demonstrating the proposed converter benefits and the possibility of AC feeding system for trolleybus type vehicle.

Effect of parametric uncertainties on the performance of a piezoelectric energy harvesting device

The use of piezoelectric materials for the development of electromechanical devices for the harvesting or scavenging of ambient vibrations has been extensively studied over the last decade. The energy conversion from mechanical (vibratory) to electrical energy is provided by the electromechanical coupling between mechanical strains/stresses and electric charges/voltages in the piezoelectric material. The majority of the studies found in the open literature present a tip-mass cantilever piezoelectric device tuned on the operating frequency. Although recent results show that these devices can be quite effective for harvesting small amounts of electrical energy, little has been published on the robustness of these devices or on the effect of parametric uncertainties on the energy harvested. This work focuses on a cantilever plate with bonded piezoelectric patches and a tip-mass serving as an energy harvesting device. The rectifier and storage electric circuit was replaced by a resistive circuit (R). In addition, an alternative to improve the harvesting performance by adding an inductance in series to the harvesting circuit, thus leading to a resonant circuit (RL), is considered. A coupled finite element model leading to mechanical (displacements) and electrical (charges at electrodes) degrees of freedom is considered. An analysis of the effect of parametric uncertainties of the device on the electric output is performed. Piezoelectric and dielectric constants of the piezoelectric active layers and electric circuit equivalent inductance are considered as stochastic parameters. Mean and confidence intervals of the electric output are evaluated.

Parametric Sensitivity Analysis of the Most Recent Computational Models of Rabbit Cardiac Pacemaking

The cellular basis of cardiac pacemaking activity, and specifically the quantitative contributions of particular mechanisms, is still debated. Reliable computational models of sinoatrial nodal (SAN) cells may provide mechanistic insights, but competing models are built from different data sets and with different underlying assumptions. To understand quantitative differences between alternative models, we performed thorough parameter sensitivity analyses of the SAN models of Maltsev & Lakatta (2009) and Severi et al (2012). Model parameters were randomized to generate a population of cell models with different properties, simulations performed with each set of random parameters generated 14 quantitative outputs that characterized cellular activity, and regression methods were used to analyze the population behavior. Clear differences between the two models were observed at every step of the analysis. Specifically: (1) SR Ca2+ pump activity had a greater effect on SAN cell cycle length (CL) in the Maltsev model; (2) conversely, parameters describing the funny current (If) had a greater effect on CL in the Severi model; (3) changes in rapid delayed rectifier conductance (GKr) had opposite effects on action potential amplitude in the two models; (4) within the population, a greater percentage of model cells failed to exhibit action potentials in the Maltsev model (27%) compared with the Severi model (7%), implying greater robustness in the latter; (5) confirming this initial impression, bifurcation analyses indicated that smaller relative changes in GKr or Na+-K+ pump activity led to failed action potentials in the Maltsev model. Overall, the results suggest experimental tests that can distinguish between models and alternative hypotheses, and the analysis offers strategies for developing anti-arrhythmic pharmaceuticals by predicting their effect on the pacemaking activity.

Adenoviral expression of IKs contributes to wavebreak and fibrillatory conduction in neonatal rat ventricular cardiomyocyte monolayers

Previous studies have shown that the gating kinetics of the slow component of the delayed rectifier K(+) current (I(Ks)) contribute to postrepolarization refractoriness in isolated cardiomyocytes. However, the impact of such kinetics on arrhythmogenesis remains unknown. We surmised that expression of I(Ks) in rat cardiomyocyte monolayers contributes to wavebreak formation and facilitates fibrillatory conduction by promoting postrepolarization refractoriness. Optical mapping was performed in 44 rat ventricular myocyte monolayers infected with an adenovirus carrying the genomic sequences of KvLQT1 and minK (molecular correlates of I(Ks)) and 41 littermate controls infected with a GFP adenovirus. Repetitive bipolar stimulation was applied at increasing frequencies, starting at 1 Hz until loss of 1:1 capture or initiation of reentry. Action potential duration (APD) was significantly shorter in I(Ks)-infected monolayers than in controls at 1 to 3 Hz (P<0.05), whereas differences at higher pacing frequencies did not reach statistical significance. Stable rotors occurred in both groups, with significantly higher rotation frequencies, lower conduction velocities, and shorter action potentials in the I(Ks) group. Wavelengths in the latter were significantly shorter than in controls at all rotation frequencies. Wavebreaks leading to fibrillatory conduction occurred in 45% of the I(Ks) reentry episodes but in none of the controls. Moreover, the density of wavebreaks increased with time as long as a stable source sustained the fibrillatory activity. These results provide the first demonstration that I(Ks)-mediated postrepolarization refractoriness can promote wavebreak formation and fibrillatory conduction during pacing and sustained reentry and may have important implications in tachyarrhythmias.

The Electrodeposition of Iron-Manganese Alloys

An electrodeposition of an iron-manganese alloy was made from the same conditions determined by previous re­search. Various addition agents were experimented with in an attempt to produce better conditions for electro-deposition. It was found advantageous to add small a­mounts of sodium lauryl sulfate and ammonium sulfite to the electrolyte.