Todos os cursos de água carream sedimentos com maior ou menor intensidade, sendo responsáveis pela redução da calha de rios e volume de reservatórios. O assoreamento dos reservatórios reduz sua vida útil, comprometendo os sistemas de geração de energia, de navegação, de irrigação, gerando problemas de ordem ambiental. Neste contexto, subsídios ao processo de gerenciamento dos reservatórios pela predição do assoreamento, tornam-se necessários. O reservatório Represa Velha, situado na bacia hidrográfica do Mogi Guaçu, foi escolhido para estudo de caso pela disponibilidade de dados batimétricos, de vazão e de sedimentos. Com os recursos da dinâmica dos fluidos computacional (DFC), é utilizado o programa MIKE 21C. A solução das equações hidrodinâmicas (Saint-Venant 2D) integradas na vertical, tiveram como condição de contorno a vazão constante em cada período da medição, na entrada do reservatório, e a altura de água constante, para cada dado de vazão, no canal de saída. A calibração do modelo numérico foi feita para os dados temporais de vazão, concentração de sedimentos e batimetrias do reservatório. Com dados da primeira batimetria e campanhas batimétricas sucessivas, foi realizada a comparação entre os resultados obtidos pela simulação numérica e aqueles medidos em campo. As dificuldades e limitações encontradas neste processo são comentadas. / All rivers transport sediments with bigger or smaller intensity, being responsible for the reduction of their channel and volume of reservoirs. The sedimentation of reservoirs reduces their useful life, compromising energy generation systems, navigation, irrigation, and generating problems of environmental order. In this context, subsidies to the process of reservoirs management for the prediction of sedimentation become necessary. The reservoir Represa Velha, located in the Mogi Guaçu\'s watershed, was chosen as a case study because of its available data of bathymetry, flow and sediment discharge. With the resources of computational fluids dynamics (CFD), the program MIKE 21C was used. In the solution of the problem are used the hydrodynamic equations (Saint-Venant 2D) integrated in the vertical. The boundary conditions are the constant flow, in each period of the measurement, at the entrance of the reservoir, and the constant water level, for each flow measured, at the exit channel. The calibration of the numeric model was developed with data from previews work, of flow, sediment concentration and reservoir bathymetry. The numerical data were compared with the measured sedimentation. The difficulties and limitations found in this process are commented on.

O presente trabalho apresenta resultados de medidas de campo, laboratório e simulações numéricas para o diagnóstico de um sítio de descarte de resíduos de re-refino de óleo lubrificante, localizado no Município de Ribeirão Preto, no Estado de São Paulo. A metodologia laboratorial utilizada mostrou-se viável, sendo descritos também casos nos quais a primeira proposta de trabalho não foi adequada. Adicionalmente, o programa numérico comercial escolhido para simular a situação do sítio mostrou-se suficientemente manuseável e adequado para estudos expeditos. Os dados de contaminação da água subterrânea por metais mostram que os principais contaminantes são o chumbo e o alumínio. Em termos de contaminação do solo por HPAs, verificou-se, de forma geral, baixa concentração (em alguns casos não detectáveis), ficando o fenantreno como o composto com a concentração mais elevada, porém sem padrão de comparação. O naftaleno, que possui esse padrão, mostrou concentração muito inferior àquela considerada como referência. Os resultados da simulação numérica são apresentados em sete camadas ao longo da profundidade, sendo sua resolução, no plano, efetuada com malhas de 50,0 m por 50,0 m. Simulou-se uma pluma poluente de chumbo, com evolução para um tempo de 10 anos, com concentração inicial e de contorno compatível com as medidas efetuadas nos poços de monitoramento (25 &#956g/L). Os resultados apontam para contaminação efetiva da área utilizada para disposição do resíduo, bem como alteração nas circunvizinhanças. O presente trabalho representa uma contribuição para a sistematização da metodologia de estudo de áreas similares. / This research introduces results of field and laboratory applications and numerical simulation to assess a site of oil waste disposal, in Ribeirão Preto, São Paulo, Brazil. The laboratorial methodology applied was useful, but there were also cases where the first try was not adequate. Additionally, the commercial numeric software selected to simulate site conditions was properly handled and applicable to expedited site assessment. The results of metals concentration in ground water highlight lead and aluminum as the main contaminants. In terms of PAHs in soil, in general, low concentrations (in some cases not detectible) were observed, where phenanthrene was the compound with the highest concentration, however without reference level. The naphthalene, has reference level, present concentrations much lower than the reference level. The numerical simulation results are presented in seven subsurface layers, which in a plan view the grid was divided in 50,0 m per 50,0 m. A lead contamination was simulated in the transport model, with 10 years of temporal discretization, and with initial and boundary concentrations compatible with measures in monitoring wells (25 &#956g/L). The results show contamination in the disposal area, and alteration in the neighboring areas. The present research represents a contribution to the methodology for similar site assessment.

O objetivo desse trabalho foi avaliar o processo de formação do cavaco durante o torneamento utilizando simulação numérica pelo método dos elementos finitos. Para realizar o estudo foram definidos dois tipos de aços inoxidáveis austeníticos, um com matriz metálica sem a presença significativa de inclusões, do tipo ABNT 304, e outro com a presença de inclusões não metálicas, do tipo ABNT 303. O estudo foi focado nos mecanismos de formação e ruptura do cavaco, na determinação das forças de usinagem, no campo de tensões, deformações, e temperaturas durante o processo, que foram relacionados com aspectos e características da microestrutura do material. Os resultados obtidos foram comparados com as forças de usinagem experimentais, com a espessura e morfologia do cavaco. O desenvolvimento do trabalho, de acordo com a metodologia adotada, foi realizado em diferentes etapas. Inicialmente foi elaborado e aplicado um modelo de simulação da usinagem considerando o material homogêneo. Em outra etapa, foi realizada a modelagem de uma microestrutura submetida a um estado de tensão e deformação semelhante ao encontrado na simulação da usinagem realizada com material homogêneo. Os resultados mostraram que as partículas das inclusões maiores, alongadas, e em maior quantidade aumentam a tensão e a deformação na microestrutura. As elevadas temperaturas obtidas na usinagem dos aços inoxidáveis austeníticos aumentam a ductilidade dos sulfetos, esses se deformam em compressão junto com a matriz, e têm um efeito limitado como agente de redução dos esforços de usinagem. Por outro lado, os sulfetos facilitam a etapa de ruptura do cavaco em tensões trativas, e tendem a se romper facilitando o processo de quebra. / The aim of this study was to evaluate the chip formation process during turning using a numerical simulation by finite element method. Two different austenitic stainless steel were evaluated, one without a significant presence of inclusions, ABNT 304, and another one with the presence of non-metallic inclusions, ABNT 303. The study was focused on the chip formation and rupture, in determining the machining forces, stresses, strains and temperatures during the process, which were related to aspects and characteristics of the microstructure. The results obtained were compared with the experimental machining forces, thickness and morphology of the chip. The development of the work, according to the methodology, was carried out at different steps. The first one implemented a simulation model considering a homogeneous material. In the next step, the microstructure was subjected to a state of stress similar to that found in the simulation of the machining performed with homogeneous material. The results showed that the largest inclusion particles, elongated and in greater quantity, increase stresses and strains in the microstructure. The high temperatures obtained when machining austenitic stainless steel increase the ductility of sulfides. These are deformed in compression along with the matrix, and have a limited effect in reducing machining forces. On the other hand, sulfides facilitate the chip fracture at tensile stresses.

O método SUPG (\"Streamline Upwind Petrov-Galerkin\") é analisado quanto a sua capacidade de estabilizar oscilações numéricas decorrentes de escoamentos convectivo-difusivos, e de manter a consistência nos resultados. Para esta finalidade, é elaborado um programa computacional como uma implementação algorítmica do método, e simulado o escoamento sobre um cilindro fixo a diferentes números de Reynolds. Ao final, é feita uma revelação sobre a solidez do método. Palavras-chave: escoamento, simulação numérica, método Petrov- Galerkin. / The \"Streamline Upwind Petrov-Galerkin\" method (SUPG) is analyzed with regard to its capability to stabilize numerical oscillations caused by convective-diffusive flows, and to maintain consistency in the results. To this aim, a computational program is elaborated as an algorithmic implementation of the method, and simulated the flow around a fixed cylinder at different Reynolds numbers. At the end, a revelation is made on the method\'s robustness. Keywords: flow, numerical simulation, Petrov-Galerkin method.

Neste trabalho apresentar-se-á um método para a determinação de modelos simplificados de fontes equivalentes de campos elétricos e magnéticos aplicáveis à análise de compatibilidade eletromagnética de sistemas embarcados. Esses modelos são obtidos a partir de medições laboratoriais, com técnicas de cálculos analíticos, numéricos e híbridos. Destacam-se, o fato da utilização do método de medição através de antenas de grandes loops (ou, laços, em português), na determinação de fontes equivalentes de emissão radiada e a aplicação destas na avaliação dos campos eletromagnéticos radiados. A contribuição deste trabalho é a obtenção dessas fontes equivalentes de emissão radiada, que possibilitam a avaliação da contribuição dos campos elétricos e magnéticos em ambientes eletromagnéticos. E também contribui com a aplicação de uma metodologia para a obtenção dos campos elétricos a partir dos campos magnéticos previamente determinados. Em particular, este trabalho pode ser considerado como decorrente da evolução da Dissertação de Mestrado [1]. / It will be shown in this work a method for simplified models determination of equivalent sources for electric and magnetic fields, applicable to embedded systems electromagnetic compatibility analysis. These models are obtained by laboratory tests with analytical calculation techniques associated to numerical and hybrid calculations. This work highlights the application of measurement method by Large Loop Antennas (LLAs) for the creation of radiated emission equivalent sources and the application of a corresponding method for obtaining radiated electromagnetic fields. The contribution of this work is the acquisition of these equivalent sources of radiated emission, which allows the evaluation of the magnetic and electric field contribution in electromagnetic environments. And it also contributes with the application of a methodology to obtain the electric fields from previously determined magnetic fields. In special, this work may be considered as an evolution of the Master\'s Thesis [1]

Results from direct numerical simulations (DNS) of multiphase bubbly flows in vertical and horizontal channels were compared to averaged models of multiphase flows (two-fluid model etc.). The data from the direct numerical simulation were also used to calibrate and improve the averaged models. Steady state laminar flow in a vertical channel was analyzed first. Results from direct numerical simulations are compared with prediction of the steady-state two-fluid model of Antal, Lahey, and Flaherty (1991). The simulations are done assuming a two-dimensional system and the model coefficients are adjusted slightly to match the data for upflow. The model is then tested by comparisons with different values of flow rate and gravity, as well as down flow. Results agree reasonably in the middle of the channel. However, for upflow, model performs poorly near the no-slip wall. To better understand the flow with rising bubbles hugging the no-slip wall, detailed direct numerical simulations of the problem were performed in three dimensions. Deformability of the bubbles was found to play a significant role in the flow structure and averaged flow rate. Finally, the transient buoyancy driven motion of two-dimensional bubbles across a domain bounded by two horizontal walls is studied by. The bubbles are initially released next to the lower wall and as they rise, they disperse. Eventually all the bubbles collect at the top wall. The goal of the study is to examine how a simple one-dimensional model for the averaged void fraction captures the unsteady bubble motion. By using void fraction dependent velocities, where the exact dependency is obtained from simulations of homogeneous bubbly flows, the overall dispersion of the bubbles is predicted. Significant differences remain, however. Results suggest that bubble dispersion by the bubble induced liquid velocity must be included, and by using a simple model for the bubble dispersion improved agreement is found.

With the renewed concept of "Materials by Design" attracting particular attentions from the engineering communities in recent years, numerical methods that can reliably predict the optical and electrical properties of materials is highly preferable. Since the growth or the synthesis of a "designed" material and the ensuing devices is usually prohibitively expensive and time-consuming, numerical simulation tools that predict the properties of a proposed material together with its device performance before production is especially important and cost-effective. Furthermore, as the technology advances, semiconductor devices have been pushed to operate at their material limits, which requires a thorough understanding of the materials' microscopic processes under different conditions. Therefore, developing numerical models that are capable of investigating the semiconductor properties from material level to device level is highly desirable. This dissertation develops a suite of numerical models in which optical absorption and Auger recombination in semiconductor materials are studied and simulated together with their device performances. In particular, Green's function theory with full band structures is employed to investigate the material properties by evaluating the broadening of the electronic bands under the perturbation of phonons. As a result, both direct and phonon-assisted indirect processes are computed and compared among different materials. Drift-diffusion model and a 3D Monte-Carlo model are subsequently used to simulate the device characteristics with the obtained material parameters. This work first determines the full band structures for Si, Ge, α-Sn, HgCdTe, InAsSb and InGaAs alloys from EPM model, and then investigated the materials' minority carrier lifetime for IR detector applications. Finally device level simulations using drift-diffusion and 3D Monte-Carlo models are demonstrated. In particular, two issues of developing 3D Monte-Carlo device simulation models, namely the use of unstructured spatial meshes and elimination of particle-mesh forces, are discussed, which are crucial in simulating modern semiconductor devices having complex geometry and doping profiles.

L’objectif de cette thèse est la modélisation, l’analyse mathématique et la simulation numérique de quelques modèles de transmission du VIH-SIDA dans une population sexuellement active donnée en général et en particulier dans celle du Mali. Nous proposons de modèles basés sur les connaissances actuelles de la transmission du virus du VIH. A cet effet, nous présentons trois modèles : un modèle comportemental en épidémiologie, un modèle qui incorpore le rôle des campagnes de sensibilisation en santé publique et un modèle de co-circulation de deux formes recombinantes du VIH-1. Dans le premier modèle, des résultats d’existence et d’unicité de la solution d’un problème parabolique semi-linéaire décrivant l’évolution d’une population soumise à l’infection du VIH sont présentés. La population est divisée en individus dont le risque comportemental est faible et en individus dont les comportement sont très risqués et qui interagissent entre eux. Une variable continue représentant ce risque comportemental est introduit. Le comportement asymptotique en temps du problème est étudié. Certains résultats numériques concernant la répartition de la population selon la variable représentant le risque comportemental sont présentés dans le cas de l’infection du VIH-SIDA au Mali. Dans les deux derniers modèles, nous obtenons une analyse complète de la stabilité de ces modèles à l’aide des techniques de Lyapunov suivant la valeur du taux de reproduction de base . Nous proposons une méthode alternative au taux de reproduction de base qui permet de confiner l’évolution de la maladie dans des limites fixées. Nous illustrons ces modèles par des simulations numériques. Ces dernières sont faites à partir de nos modèles confrontés aux données du Mali concernant la propagation du VIH-SIDA. / The objective of this thesis is the modeling, mathematical analysis and numerical simulation of a few models of transmission of the HIV-AIDS in a sexually active population given in general and in particular in that of Mali. We propose models based on the epidemiology currently known from the transmission of the HIV virus. Thus, we present three models of the transmission of HIV: a individual behavior and epidemiological model, a model that incorporates the role of public health education program on HIV and a mathematical model for the co-circulating into two circulating recombinants forms of HIV-1. In the first model, Somé results of existence and uniqueness of solution of a semilinear,parabolic problem describing the evolution of a population subjected to a disease are presented. The population is divided into individuals whose behavioral risk is low and in individuals whose behavior are very risky and that interact between them. A continuous variable representing a behavioral risk is introduced. The asymptotic in time of the problem is studied, and the existence of a non zero stationary state is proved. Somé numerical results concerning the distribution of the population according to the variable representing a behavioral risk are presented within the disease of the HIV-AIDS in Mali. In the last two models, we obtain a thorough analysis of the stability of these models using the Lyapunov techniques according to the value of the basic reproduction ratio,R0. We propose an alternative method to the basic reproductive rate R0 which allows to confine the evolution of the disease in the fixed limits. Numerical simulations are done to illustrate the behaviour of the model, using data collected in the literature regarding the spread of HIV in Mali.

La formation des planètes a lieu dans les disques protoplanétaires constitués de gaz et de poussières. Si ces dernières ne représentent que 1% de la masse totale du disque, elles jouent un rôle fondamental pour l’évolution chimique des disques en agissant comme catalyseurs pour la formation des molécules. Comprendre cette chimie est essentiel pour remonter aux conditions physiques initiales qui ont permis la naissance des planètes.Au cours de ma thèse, j’ai étudié la chimie à la surface des grains de poussières et son impact sur l’évolution chimique du nuage moléculaire, condition initale de la formation du disque, et du disque protoplanétaire. Grâce à des simulations numériques, à l’aide du code de chimie gaz-grain Nautilus, j’ai pu montrer l’importance des réactions de diffusion et des interactions gaz-grain pour les abondances des espèces en phase gazeuse. Les résultats du modèle couplés aux observations ont également mis en évidence les effets de la structure physique (température, densité, AV) sur la distribution des molécules dans les disques. / Planetary formation occurs in the protoplanetary disks of gas and dust. Although dust represents only 1% of the total disk mass, it plays a fundamental role in disk chemical evolution since it acts as a catalyst for the formation of molecules. Understanding this chemistry is therefore essential to determine the initial conditions from which planets form.During my thesis, I studied grain-surface chemistry and its impact on the chemical evolution of molecular cloud, initial condition for disk formation, and protoplanetary disk. Thanks to numerical simulations, using the gas-grain code Nautilus, I showed the importance of diffusion reactions and gas-grain interactions for the abundances of gas-phase species. Model results combined with observations also showed the effects of the physical structure (in temperature, density, AV) on the molecular distribution in disks.

Le travail présenté dans ce mémoire s'intéresse à la simulation du comportement mécanique de câbles d'ascenseurs. Le but de ce travail est d'élaborer une méthode permettant de simuler le comportement mécanique de tels câbles à moindre coût, et avec une précision suffisante.Dans un premier temps, différentes méthodes permettant de modéliser ou de simuler le comportement de ces câbles ont été comparées, et leurs avantages et inconvénients ont été analysés. Les résultats de modèles analytiques et de simulations éléments finis ont été comparés avec des données expérimentales. Les modèles analytiques considérés dans ce travail présentent un coût de calcul bien moins élevé que les modèles éléments finis, mais n'offrent pas une précision suffisante dans leurs résultats pour simuler le comportement de câbles d'ascenseurs. L'approche éléments finis a été retenue pour cette raison comme la plus adaptée pour simuler ce genre de câbles. Les coûts de calcul liés à cette approche sont cependant très élevés, et demandent la mise en oeuvre de méthodes particulières en vue de les réduire.Afin de réduire les temps de calculs, trois types de méthodes ont été considérées : les méthodes d'homogénéisation, les méta-modèles, et les techniques de réduction de modèle. L'approche de réduction de modèle a été retenue comme la plus appropriée et a été implémentée dans le code de simulation par éléments finis Multifil. Des résultats avec une bonne précision ont été obtenus en utilisant cette méthode, mais les coûts des simulations initiales sur le modèle complet afin d'obtenir un ensemble de solutions permettant de construire une base réduite apparaissent trop élevés dès qu'il s'agit de traiter des câbles de longueurs importantes. Pour remédier à ce problème, une méthode de réduction par tronçon a été formulée et implémentée. Cette méthode tire parti de la structure périodique du câble et permet d'identifier a base de réduction seulement sur un motif périodique élémentaire. Cette base est ensuite utilisée pour représenter la solution sur l'ensemble d'un câble composé de plusieurs tronçons.Le coût des multiplications matricielles nécessaires pour transformer le système linéaire du problème initial, en système linéaire réduit reste cependant trop important pour obtenir un gain significatif, en particulier dans le contexte de la résolution d'un problème non-linéaire. Pour pallier cette difficulté, une technique supplémentaire, appelée ``Discrete Empirical Interpolation Method'' (DEIM), a été mise en oeuvre avec succès, et a permis d'obtenir au final une réduction du coût de calcul d'un facteur 4. / The work presented in this dissertation is focused on the simulation of the mechanical behaviour of lift's wire ropes. The aim of the work is to elaborate a method to simulate the mechanical behaviour of such wire ropes with low computational cost and sufficient accuracy.First of all, several methods to model or simulate wire ropes have been compared and their weak and strong points have been highlighted. Analytical and finite element methods have been compared with experimental tests. It was concluded that analytical methods considered in this work have a lower computational cost than finite element methods, but the results obtained using them are not accurate enough to simulate lift wire ropes. Therefore, finite element methods have been considered as the most appropriate to simulate these wire ropes. However, their computational cost is high so some methods to reduce it must be applied.In order to reduce the computational time, three type of methods have been considered: homogenization, metamodeling and model order reduction. Model order reduction technique was chosen as the most adequate method and it was implemented in the wire rope finite element simulation program Multifil. Accurate results have been obtained, however the computational cost needed by initial simulations to get the snapshots used to define a reduce basis was too high for long wire ropes. To solve this problem, a sectionwise reduction method was proposed and implemented. This formulation takes advantage of the periodic structure of wire ropes: the reduced basis is identified only on a reference elementary section and used for all repetitive sections of a multi-section wire rope. The computational cost induced by the multiplication of matrices in order to transform the linear system of the initial problem into the linear system of the reduced problem was shown to remain too high, particularly in the context of the solving of a non-linear problem, to allow the global computational time to be significantly decreased using the proposed techniques. To overcome this difficulty, an additional technique, namely the so-called Discrete Empirical Interpolation Method (DEIM) was successfully implemented and tested, allowing a time reduction factor of 4 to be obtained.