Submitted by Maria Medeiros (maria.dilva1@ufcg.edu.br) on 2018-10-17T15:14:14Z No. of bitstreams: 1 WILLY RODRIGO DE ARAÚJO - DISSERTAÇÃO (PPGEQ) 2018.pdf: 5030697 bytes, checksum: 8a14506fd3d3d6346a2c2cd041ea7844 (MD5) / Made available in DSpace on 2018-10-17T15:14:14Z (GMT). No. of bitstreams: 1 WILLY RODRIGO DE ARAÚJO - DISSERTAÇÃO (PPGEQ) 2018.pdf: 5030697 bytes, checksum: 8a14506fd3d3d6346a2c2cd041ea7844 (MD5) Previous issue date: 2018-04-13 / Capes / Como contribuição inicial, este trabalho propõe a substituição do MPT por um código desenvolvido em MATLAB®, uma vez que este sana a deficiência do primeiro em regiões não convexas. No âmbito da operabilidade estacionária, aborda dois estudos de caso: uma mistura de correntes com diferentes restrições em vazões e temperaturas e um CSTR encamisado para condução de uma reação exotérmica. Neste, a EDS foi tratada do ponto de vista estatístico, em que quanto maior o distúrbio menor a probabilidade de ocorrência. Informações relativas ao índice de operabilidade (OI) foram inseridas em um controlador proporcional-integral de modo que este conduzisse, de forma rápida e direta, a um estado permanente que garanta as especificações desejadas. Quanto à perspectiva de operabilidade dinâmica, a proposta é fundamentada na análise a cada período. O modelo utilizado, bem como suas condições e restrições foi delimitado por um reator batelada de bancada. Uma rotina programada em VBA é capaz de realizar experimentações numéricas de forma automática e foi desenvolvida com o propósito de simular um massivo planejamento experimental utilizado na metodologia dependente do tempo. Este código cria um banco de dados série-temporal, aplica uma técnica para reconciliação dos elementos quanto ao passo e pode ser utilizada conjuntamente a grande maioria dos simuladores dinâmicos comerciais. Foi sugerida uma nova abordagem para a região desejada (DOS) baseada na região de confiabilidade conjunta de modo a estabelecer este conjunto em cada intervalo e com caráter de controle estatístico de processos. A proposta para delimitação dos entornos necessários à operabilidade apresentou respostas satisfatórias diante comportamentos convexos ou não. Os resultados mostraram que a EDSp apresentou maior eficiência em problemas não lineares, já que leva em conta um histórico na determinação de perturbações e a consideração dos extremos não necessariamente abrange os intermediários. Mediante falhas em faixas esperadas, a conciliação de operabilidade a uma malha “feedback” sempre assegurou a DOS. Foi obtido um perfil de superfícies, para monitoramento e controle da operação ao longo do tempo, que conduz à DOS requerida ao final da batelada. / As an initial contribution, this work proposes the MPT replacement by a code developed in MATLAB®, since it heals the deficit of the first one in non-convex regions. In the stationary operability scope, it deals with two case studies: a mixture of streams with different restrictions in flow and temperatures and a jacketed CSTR to conduct an exothermic reaction. In this, the method treated the EDS from a statistical point of view in which as larger is the disorder lower is the probability of occurrence. Information on the operability index (OI) was entered into a proportional-integral controller so that it would lead, quickly and directly, to a steady state that guarantees the desired specifications. In dynamic operability scenery, the proposal performs analysis in each period. A batch bench reactor delimited the model as well as its conditions and restrictions. A VBA routine capable of automatically performs numerical experiments was developed with the purpose of simulating one massive experimental planning used in the time-dependent methodology. This code creates a time-series database, applies a technique for reconciling the elements in step and can be used with the vast majority of dynamic commercial simulators. A new approach for the DOS based on joint confidence region was suggested to establish this set at each interval and with statistical process control character. The proposal for shape delimitations required along the procedure showed satisfactory responses to convex and non-convex behaviors. The results showed that the EDSp presented greater efficiency in nonlinear problems since it takes into account historical data in the disturbance determination. Also, the extreme perturbation values do not necessarily cover the intermediates. Through failures in expected ranges, the reconciliation of operability and a feedback loop has always ensured DOS. Surface profiles were obtained for monitoring and control the operation over time, leading to the required DOS at the end of the batch.

Este trabalho tem como propósito investigar como a variação geométrica de determinados parâmetros envolvidos na construção de uma geometria bifurcada de seção circular, em forma de Y, afeta a resistência ao escoamento, tanto de fluidos newtonianos como não newtonianos. As geometrias estudadas foram construídas utilizando-se o princípio do Design Construtal. Os parâmetros variados foram a relação entre os comprimentos dos dutos pais e filhos, a relação entre os diâmetros dos mesmos dutos, e o ângulo central da estrutura em forma de Y. Para as relações geométricas lineares foram utilizados os valores de 0,5; 0,6; 0,7; 0,8; 0,9 e 1, enquanto para os ângulos, foram utilizados os valores de 155°, 135°, 115°, 95°, 75°, 45°, 25° e 10°. Os fluidos utilizados foram do tipo newtoniano e não newtoniano, dentre estes últimos, foram estudados fluidos pseudoplásticos e dilatantes. O trabalho foi realizado através de simulações numéricas, implementadas com a utilização do software comercial Ansys Fluent, o qual resolve as equações governantes através do método dos volumes finitos. As malhas utilizadas foram do tipo poliédrica. Os resultados indicam que há uma diferença em relação ao que se espera da literatura para as relações entre os diâmetros e os comprimentos. A Lei Hess-Murray indica que estas relações ótimas seriam de 2-1/3 para as relações entre os diâmetros e comprimentos. No presente trabalho, foram determinadas relações entre os diâmetros próximas de 0,6, e entre os comprimentos, iguais a 1. Os ângulos ótimos ficaram localizados no intervalo entre 100° e 135°. / This work aims to investigate how the geometric variation of certain parameters involved in the construction of a bifurcated Y-shaped circular cross-section geometry affects the flow resistance of both Newtonian and non-Newtonian fluids. The geometries studied were constructed using the Constructal Design principle. The parameters were the relationship between the lengths of the daughter and parent ducts, the relationship between the diameters of the same ducts, and the central angle of the Y-shaped structure. For the linear geometric relations, values of 0.5; 0.6; 0.7; 0.8; 0.9 and 1 where used, for the angles, the values of 155 °, 135 °, 115 °, 95°, 75 °, 45 °, 25 ° and 10 ° were used. The fluids used were of the Newtonian and non-Newtonian type, among the latter, pseudo plastic and dilatant fluids were studied. The work was carried out through numerical simulations, implemented with the commercial software Ansys Fluent, which solves the governing equations through the finite volume method. The meshes used were of the polyhedral type. The results indicate that there is a difference in relation to what is expected from the literature for the relationships between diameters and lengths. The Hess-Murray Law indicates that these optimal relations would be 2-1/3 for the relationships between diameters and lengths. In the present work, relationships between the diameters close to 0,6 were found and s equal to 1 between the lengths. The optimum angles were located in the range between 100 ° and 135 °.

Magnetic flux emergence is a fundamental process in the Sun, during which magnetic fields emerge from the solar interior to the surface, to build up active regions and give onset to spectacular dynamic phenomena, such as eruptions and jets. In this thesis, we performed 3D, resistive MHD simulations to study the emergence and the associated magnetic activity of a quadrupolar region in the Sun. Our aim behind the setup of this initial condition (i.e. a quadrupolar region) was to study a magnetic field configuration, which has not been studied in detail before, although it has been repeatedly observed in the Sun and it has been shown that it can host intense magnetic activity (e.g. in the form of jets, flares and eruptions). The results of our experiments showed that the internal dynamics of such regions leads to the onset of eruptions in the form of twisted magnetic flux tubes (flux ropes). These eruptions are recurrent but they cannot escape the outermost field of the emerging flux (envelope field). They remain confined within the envelope field, as the downward tension of the outermost field lines overwhelms the upward Lorentz force of the erupting field. When we add an ambient magnetic field in the solar atmosphere, external reconnection between the emerging and the ambient field triggers the emission of (standard) reconnection jets. The external reconnection also releases the tension of the ambient field lines and, thus, the eruptions move in an ejective way towards the outer space. Namely, the confined eruptions become ejective eruptions, which escape from the numerical domain. These ejective eruptions drive a newly observed class of jets, the so called "blowout" jets. Our experiments reproduce some of the main observed characteristics of the "blowout" jets. We showed that "blowout" jets emit hot and cool plasma into the outer solar atmosphere simultaneously, and they undergo untwisting motion due to the relaxation of twist during their ejection. We found that the untwisting motion of the "blowout" jets is associated with the propagation of torsional Alfvén waves. Finally, we performed a parametric study to explore the effect of the ambient field strength on the onset and dynamics of the eruptive events. We found that one of the main effects is that the stronger ambient field suppresses the vertical expansion of the magnetic envelope of the quadrupolar region due to the higher magnetic pressure above it. This result has an effect on the emission of jets, which are emitted due to reconnection between the two fields. When the ambient field is relatively weak, it is pushed away from the strong emerging field and reconnection between them is not so persistent. On the other hand, when the ambient field is relatively strong, we find that more jets are ejected due to more efficient and more frequent reconnection between the two flux systems. As a consequence, we find that more mass and flux is being transferred into the solar corona by the reconnection jets. Also, we find that there are more eruptions when the ambient field is stronger. The study of the total energy flux carried by the jets showed that it is sufficient to provide the energy required to accelerate the high speed solar wind. This indicates that the "blowout" jets may play an important role in driving the solar wind.

The study of carrier dynamics in wide band gap semiconductors is of great importance for UV detectors and emitters which are expected to be the building blocks for optoelectronic applications and high voltage electronics. On the experimental side, the progress made in the past two decades in generating subpicosecond laser pulses, resulted in numerous experiments that gave insight into the carrier dynamics in semiconductors. From the theoretical standpoint, the study of carrier interactions together with robust simulation methods, such as Monte-Carlo, provided great progress toward explaining the experimental results. These studies immensely improve our understanding of time scales of carrier recombination, relaxation and transport in semiconductor materials and devices which lead to optimizing the operation of optoelectronic devices, more specifically, emitters and detectors. Wide band gap materials having high breakdown field, wide band gap energy and high saturation velocity are among the most important semiconductors employed in the active layer of LEDs and lasers. GaN , its alloys, and ZnO are among the most important materials in semiconductor devices. Moreover, the use of lattice matched layers based on InAlN or InAlGaN is an alternative design approach which could mitigate the effect of polarization and enable growing thicker layers due to the higher structural quality. We first perform the study of carrier dynamics generated by ultrafast laser pulses in bulk GaN and ZnO materials to investigate the temperature dependent luminescence rise time. The obtained results are compared to the experimental results which show an excellent agreement. In this work, we use Monte Carlo method to evaluate the distribution of carriers considering the interaction of carriers with other carriers and also with polar optical phonons in the system. Considering the ongoing research about the advantages of lattice matched nitride based material systems, we also studied the properties of GaN layers lattice matched to InAlN and InAlGaN. As an application, we utilized the GaN/InAlGaN material system to study the carrier dynamics in Quantum Cascade Lasers. Furthermore, due to the superior properties of GaN which makes it an excellent candidate in power electronic applications, we also design and simulate an advanced vertical trench power MOSFET using drift diffusion and Monte Carlo models and characterize the performance of the device.

Le phénomène de démouillage est caractérisé par la croissance d'un cristal sans contact avec la paroi du creuset due à l'existence d'un ménisque liquide au niveau de l'interface solide-liquide. Ceci crée un espace de quelques dizaines de micromètres entre le cristal et le creuset dans lequel il est élaboré et une des conséquences immédiates de ce phénomène est la nette amélioration de la qualité du cristal. Dans le cas du démouillage, la forme du ménisque est décrite par l'équation de Young-Laplace à partir de laquelle on a pu établir le système des équations différentielles non-linéaires qui décrivent l'évolution du rayon du cristal et de la hauteur du ménisque en fonction de diverses perturbations. L'intérêt réside dans la possibilité d'étudier numériquement, à partir de ces équations, les solutions stationnaires, leur stabilité, statique et dynamique, et d'effectuer une étude de la sensibilité des solutions vis-à-vis des paramètres du procédé et des conditions initiales. / The phenomenon of dewetting is characterized by the Vertical Bridgman growth of a crystal without contact with the crucible wall due to the existence of a liquid meniscus at the level of the solid-liquid interface which creates a gap between the grown crystal and the inner crucible wall. One of the immediate consequences of this phenomenon is the drastic improvement of the crystal quality. In order to bring crucial information concerning dewetted phenomenon, detailed theoretical results and numerical simulations are necessary, on the basis of the mathematical models able to reflect better the real phenomenon which should include all essential processes appearing during the growth. The main problem of the dewetting growth and the related improvements of the material quality is the stability of the growth process. In this context, the goal of the present work is to perform analytical and numerical studies for capillarity, heat transfer and stability problems of the dewetted Bridgman process.

[pt] Simula-se numericamente o fenômeno de estricção em um bloco sob tração. Supõe-se que o material seja hiperelástico, isotrópico e que tenha uma lei de comportamento descrita pelo modelo de Blatz e Ko para espuma de borracha de poliuretano. Discretiza-se o problema de problema de equilíbio utilizando o Método dos Elementos Finitos clássico. A pesquisa das soluções é realizada por meio da implementação de uma Técnica de Continuação de Euler-Newton, que permite abordar situações onde instabilidades mecânicas, tais como a localização de deformações e o amolecimento, estejam presentes. Finalmente, identifica-se as regiões do material onde estas instabilidades ocorrem. / [en] The phenomenon of necking is numerically simulated for a block under traction tensile test. A hyperelastic, isotropic constitutive model, developed by Blatz and Ko for the description of some foamed polyurethane elastomers, is considered. An Euler-Newton Continuation Algorithm is employed in the search for solutions of the equilibrium problem, which is discretized by means of a classical Finite Element Method. This algorithm makes possible tha treatment of situations where mechanical instabilities, such as localization and strain-softening behaviors, are present. Finally, the regions of material, where these instabilities appear, are identified.

[pt] Na cidade do Rio de Janeiro, por motivos de caráter econômico e administrativo, o número de pontos de medida de uma rede de monitoramento de qualidade de ar é limitado e, acima de tudo, a disposição espacial deles pode não ter sido estudada cuidadosamente, podendo estar posicionada em um local pouco representativo. Por este motivo, para auxiliar as medidas de concentrações e saber a evolução das mesmas, nesta pesquisa se usou modelos baseados em dinâmica de fluidos computacional. A área do entorno da estação Tijuca foi escolhida como local de estudo e se investigou a dispersão dos poluentes; monóxido de carbono, dióxido de nitrogênio e dióxido de enxofre emitido por fontes veiculares e em condição atmosférica neutra, mais comum nos meses de inverno. Foi utilizado o pacote comercial Fluent versão 17.1 e as equações de transporte RANS foram fechadas com o modelo de turbulência K-epsilon clássico. Entre as tarefas mais importantes pode-se mencionar: sustentar uma camada limite atmosférica desenvolvida ao longo do domínio computacional, desenvolver as configurações apropriadas de condições de contorno, definir as constantes do modelo, a modificação das constantes da lei da parede e efetuar os testes da malha computacional baseada em critérios de convergência para um incremento da densidade da malha. O estudo permitiu analisar a influência da energia cinética turbulenta gerada pela movimentação dos veículos nas ruas sobre o comportamento da pluma, e determinar qual é o número de Schmidt turbulento que melhor se adapta ao modelo. Os resultados obtidos nas simulações foram comparados entre si e também com dados experimentais disponíveis do sensoriamento na estação de monitoramento Tijuca, observando-se boa concordância de dados. / [en] In the city of Rio de Janeiro, for reasons of economic and administrative character, the number of measurement points of an air quality monitoring network is limited and, especially, the spatial arrangement of them may not have been studied carefully, being positioned in an unrepresentative place. Therefore, to support the concentrations measures and know their evolution, in this study was used models based on computational fluid dynamics. The area surrounding the Tijuca station was chosen as the study site and was investigated the dispersion of the pollutants; carbon monoxide, nitrogen dioxide and sulfur dioxide emitted by vehicular sources, in neutral atmospheric condition, more common in the winter months. It was used the commercial package Fluent version 17.1 and the RANS transport equations were closed with the standard K-epsilon turbulence model. Among the most important tasks can be mentioned: support a developed atmospheric boundary layer over the computational domain, develop the appropriate settings of boundary conditions, define the model constants, the modification of the law of the wall constants and perform the tests computational grid based on convergence criteria for an increase in the mesh density. The study allowed us to analyze the influence of the turbulent kinetic energy generated by the movement of vehicles on the streets on the behavior of the plume, and determine which is the turbulent Schmidt number that best fits the model. The results obtained in the simulations were compared each other and with available experimental data sensing in Tijuca monitoring station, observing good agreement data.

[pt] A mistura asfáltica tem sido utilizada como núcleo impermeável em barragens de enrocamento desde 1930. A partir de então, estudos foram desenvolvidos, buscando uma melhoria das principais características da mistura asfáltica, como a granulometria, o teor de ligante asfáltico e o volume de vazios; permitindo obter um material asfáltico de maior densidade e com permeabilidade inferior a 10-9 cm s. As técnicas e procedimentos construtivos destas barragens apresentam vantagens quando comparadas às barragens já conhecidas. Os materiais do núcleo, as transições e o enrocamento podem ser representados por modelos constitutivos adequados e o comportamento de barragens de enrocamento com um núcleo de concreto asfáltico (BENCA) pode ser reproduzido por ferramentas computacionais. O presente trabalho apresenta um estudo sobre barragens do tipo BENCA, fazendo uso do programa computacional PLAXIS, de elementos finitos. O programa foi calibrado e validado a partir de resultados de medições de campo do Reservatório Megget, construído na Escócia (1981). Um estudo sobre a influência da inclinação do núcleo na resistência e deformabilidade de barragens de enrocamento é apresentado e discutido. Finalmente, apresenta-se a previsão numérica do comportamento da Barragem Foz de Chapecó, que é a primeira barragem construída com esta técnica no Brasil (2010). Os resultados mostraram-se coerentes com o comportamento observado em campo, indicando que o programa e os modelos constitutivos adotados permitem a previsão do comportamento de barragens de enrocamento com núcleo em concreto asfáltico. / [en] Asphalt mixture has been used as impermeable core rockfill dams since 1930. Since then, studies have been developed, searching an improvement of the main characteristics of the asphalt mixture, such as grading, bitumen content and volume ratio, allowing to obtain an asphalt material of higher density and less permeability than 10-9 cm s. Techniques and constructive procedures of these dams have advantages when are compared to known dams. The core materials, rockfill and transitions can be represented by appropriate constitutive models and the behavior of rockfill dams with an asphaltic concrete core (BENCA) can be reproduced by computational tools. The present work presents a study about the type dams (BENCA), using the finite elements computer program PLAXIS. The program was calibrated and validated from results of field measurements of Megget Reservoir, built in Scotland (1981). A study on the influence of core inclination in the strength and deformability of rockfill dams is presented and discussed. Finally, it is presented the numerical prediction of the behavior of the Foz de Chapecó dam that is the first dam built with this technique in Brazil (2010). The results were consistent with the behavior observed in field, indicating that the program and the adopted constitutive models allow the prediction of the behavior of rockfill dams with asphalt concrete core.

Magister Scientiae - MSc / We review a number of compartmental models in epidemiology which leads to a nonlinear system of ordinary differential equations. We focus an SIR, SEIR and SIS epidemic models with and without vaccination. A threshold parameter R0 is identified which governs the spread of diseases, and this parameter is known as the basic reproductive number. The models have at least two equilibria, an endemic equilibrium and the disease-free equilibrium. We demonstrate that the disease will die out, if the basic reproductive number R0 < 1. This is the case of a disease-free state, with no infection in the population. Otherwise the disease may become endemic if the basic reproductive number R0 is bigger than unity. Furthermore, stability analysis for both endemic and disease-free steady states are investigated and we also give some numerical simulations. The second part of this dissertation deals with optimal vaccination strategy in epidemiology. We use optimal control technique on vaccination to minimize the impact of the disease. Hereby we mean minimizing the spread of the disease in the population, while also minimizing the effort on vaccination roll-out. We do this optimization for the cases of SIR and SEIR models, and show how optimal strategies can be obtained which minimize the damage caused by the infectious disease. Finally, we describe the numerical simulations using the fourth-order Runge-Kutta method. These are the most useful references: [G. Zaman, Y.H Kang, II. H. Jung. BioSystems 93, (2008), 240 − 249], [K. Hattaf, N. Yousfi. The Journal of Advanced Studies in Biology, Vol. 1(8), (2008), 383 − 390.], [Lenhart, J.T. Workman. Optimal Control and Applied to Biological Models. Chapman and Hall/CRC, (2007).], [P. Van den Driessche, J. Watmough. Math. Biosci., 7, (2005)], and [J. Wu, G. R¨ost. Mathematical Biosciences and Engineering, Vol 5(2), (2008), 389 − 391]. / South Africa

Orientador: Luis Vicente de Andrade Scalvi / Banca: Valdemir Garcia Ferreira / Banca: Julio Ricardo Sambrano / Banca: Carlos José Leopoldo Constantino / Banca: Carlos Antonio Ruggiero / O Programa de Pós-Graduação em Ciência e Tecnologia de Materiais, PosMat, tem caráter institucional e integra as atividades de pesquisa em materiais de diversos campi da Unesp / Resumo: Neste trabalho foi realizada a simulação numérica da fase líquida no processo de deposição de filmes finos pela técnica de molhamento (dip-coating), via sol-gel, utilizando como aplicação soluções precursoras de dióxido de estanho (Sn'IND. 2'). Dióxido de estanho é um semicondutor transparente de gap largo, amplamente utilizado em muitos tipos de dispositivos. Além da técnica convencional, o trabalho analisa uma nova proposta da técnica de deposição dip-coating onde a solução se encontra em uma temperatura diferente da ambiente. Para ambas as técnicas foram realizadas a modelagem matemática dos problemas e desenvolveu-se um método numérico apropriado baseado no método MAC (Marker and Cell). O problema foi resolvido em coordenadas cartesianas bidimensionais e as equações foram discretizadas pela técnica de diferenças finitas. Os resultados numéricos são visualizados por meio da distribuição de temperatura e vetores velocidade da solução precursora, que fornecem subsídios para investigação da influência dos vetores velocidade na obtenção de filmes com boas propriedades, em relação à uniformidade e homogeneidade. Verifica-se que estas características refletem diretamente na qualidade óptica dos filmes investigados, tornando-se parâmetros importantes para aplicações em dispositivos opto-eletrônicos. Através dos resultados numéricos verificou-se que nas regiões do fluido próximas ao substrato, os módulos dos vetores velocidade são maiores, há uma maior quantidade de material sendo depositado. Notou-se também, através da distribuição de velocidades em direção ao substrato que o filme tem uma melhor uniformidade na sua espessura quando os vetores velocidade possuem os valores de seus módulos mais próximos uns dos outros. Portanto, mudando os parâmetros iniciais de viscosidade, densidade, velocidade de imersão/emersão do substrato ou temperatura no fluido pode-se estudar o comportamento. / Abstract: In this work, the numerical simulation of liquid phase in the thin film deposition, by the sol-gel-dip-coating technique, was carried out. The method was applied to tin dioxide (Sn'IND. 2') solutions. Tin dioxide is a transparent semiconductor of wide bandgap, extensively used in many types of devices. Besides the conventional procedure, this work analyses a new proposal for the deposition technique, where the solution is heated above room temperature. In both cases, the mathematical modeling was done and the appropriated numerical method was developed, based on MAC (Marker and Cell) approach. The problem was solved in two-dimensional Cartesian coordinates and the equations were discretized by the finite difference technique. The numerical results are visualized through temperature and vector velocity distributions in the precursos solution, yielding subsides to the investigation of the influence of vectors velocity in the deposition of good property films, concerning uniformity and homogeneity. It was verified that these characteristics point directly toward the optical quality of investigated films, becoming important parameters for application in optoelectronic devices. The numerical results allow verifying that in the fluid regions close to the substrate, where the velocity modulus is highter, there is a larger amount of material being deposited. It was also noticed, through the velocity distribution towards the substrate, that the film has a better thickness uniformity when the vectors velocity have modulus values closer to each other. Therefore, changing initial parameters such as viscosity, density, substrate dipping rate or fluid temperature, it is possible to evaluate the fluid behavior during the thin film deposition. / Doutor