Uma grande limitação dos métodos de diferenças finitas é que eles estão restritos a malhas e domínios retangulares. Para descrever escoamentos em domínios complexos, como, por exemplo, problemas com superfícies livres, faz-se necessário o uso de técnicas acessórias. O método de interfaces imersas é uma dessas técnicas. Nesse trabalho, primeiramente foi desenvolvido um método de projeção, totalmente livre de pressão, para as equações de Navier-Stokes com variáveis primitivas em malha deslocada. Esse método é baseado em diferenças finitas compactas, possuindo segunda ordem temporal e quarta ordem espacial. Esse método foi combinado com o método de interface imersa de Linnick e Fasel [2] para resolver numericamente as equações de Stokes com quarta ordem de precisão. A verificação do código foi feita por meio do método das soluções manufaturadas e da comparação com resultados de outros autores em problemas clássicos da literatura. / A great limitation of finite differences methods is that they are restricted to retangular meshes and domains. In order to describe flows in complex domains, e.g. free surface problems, it is necessary to use accessory techniques. The immersed interface method is one of such techniques. In the present work, firstly, a projection method was developed, which is completely pressure-free, for the Navier-Stokes equations with primitive variables in a staggered mesh. This method is based on compact finite differences, with temporal second-order precision and spatial foruth-order precision. This method was combined with the immersed interface method from Linnick e Fasel [2] in order to numerically solve the Stokes equations with fourth-order precision. The verification of the code was performed with the manufactured solutions method and by comparing results with other authors for some classical problems in the literature.

Hauptthema der Dissertation ist die Analysis eines nichtlinearen, gekoppelten Systems partieller Differentialgleichungen (PDG), das in der Modellierung der Kristallzüchtung aus der Schmelze mit Magnetfeldern vorkommt. Die zu beschreibenden Phenomäne sind einerseits der im elektromagnetisch geheizten Schmelzofen erfolgende Wärmetransport (Wärmeleitung, -konvektion und -strahlung), und andererseits die Bewegung der Halbleiterschmelze unter dem Einfluss der thermischen Konvektion und der angewendeten elektromagnetischen Kräfte. Das Modell besteht aus den Navier-Stokeschen Gleichungen für eine inkompressible Newtonsche Flüssigkeit, aus der Wärmeleitungsgleichung und aus der elektrotechnischen Näherung des Maxwellschen Systems. Wir erörtern die schwache Formulierung dieses PDG Systems, und wir stellen ein Anfang-Randwertproblem auf, das die Komplexität der Anwendung widerspiegelt. Die Hauptfrage unserer Untersuchung ist die Wohlgestelltheit dieses Problems, sowohl im stationären als auch im zeitabhängigen Fall. Wir zeigen die Existenz schwacher Lösungen in geometrischen Situationen, in welchen unstetige Materialeigenschaften und nichtglatte Trennfläche auftreten dürfen, und für allgemeine Daten. In der Lösung zum zeitabhängigen Problem tritt ein Defektmaß auf, das ausser der Flüssigkeit im Rand der elektrisch leitenden Materialien konzentriert bleibt. Da eine globale Abschätzung der im Strahlungshohlraum ausgestrahlten Wärme auch fehlt, rührt ein Teil dieses Defektmaßes von der nichtlokalen Strahlung her. Die Eindeutigkeit der schwachen Lösung erhalten wir nur unter verstärkten Annahmen: die Kleinheit der gegebenen elektrischen Leistung im stationären Fall, und die Regularität der Lösung im zeitabhängigen Fall. Regularitätseigenschaften wie die Beschränktheit der Temperatur werden, wenn auch nur in vereinfachten Situationen, hergeleitet: glatte Materialtrennfläche und Temperaturunabhängige Koeffiziente im Fall einer stationären Analysis, und entkoppeltes, zeitharmonisches Maxwell für das transiente Problem. / The present PhD thesis is devoted to the analysis of a coupled system of nonlinear partial differential equations (PDE), that arises in the modeling of crystal growth from the melt in magnetic fields. The phenomena described by the model are mainly the heat-transfer processes (by conduction, convection and radiation) taking place in a high-temperatures furnace heated electromagnetically, and the motion of a semiconducting melted material subject to buoyancy and applied electromagnetic forces. The model consists of the Navier-Stokes equations for a newtonian incompressible liquid, coupled to the heat equation and the low-frequency approximation of Maxwell''s equations. We propose a mathematical setting for this PDE system, we derive its weak formulation, and we formulate an (initial) boundary value problem that in the mean reflects the complexity of the real-life application. The well-posedness of this (initial) boundary value problem is the mainmatter of the investigation. We prove the existence of weak solutions allowing for general geometrical situations (discontinuous coefficients, nonsmooth material interfaces) and data, the most important requirement being only that the injected electrical power remains finite. For the time-dependent problem, a defect measure appears in the solution, which apart from the fluid remains concentrated in the boundary of the electrical conductors. In the absence of a global estimate on the radiation emitted in the cavity, a part of the defect measure is due to the nonlocal radiation effects. The uniqueness of the weak solution is obtained only under reinforced assumptions: smallness of the input power in the stationary case, and regularity of the solution in the time-dependent case. Regularity properties, such as the boundedness of temperature are also derived, but only in simplified settings: smooth interfaces and temperature-independent coefficients in the case of a stationary analysis, and, additionally for the transient problem, decoupled time-harmonic Maxwell.

Cette thèse est consacrée à la modélisation mathématique du flux sanguin dans les artères en présence de la sténose à cause de l'athérosclérose. L'athérosclérose est une maladie vasculaire complexe caractérisée par la formation d'une plaque menant au rétrécissement de l'artère. Elle est responsable des crises cardiaques et des accidents vasculaires cérébraux. Quels que soient les nombreux facteurs de risque identifiés - cholestérol et lipides, pression, régime alimentaire malsain et obésité - seuls des facteurs mécaniques et hémodynamiques peuvent donner une cause précise de cette maladie. Dans la première partie de la thèse, nous introduisons le modèle mathématique tridimensionnel décrivant l'introduction entre le sang et la paroi artérielle. Le modèle consiste à coupler la dynamique du flux sanguin donnée par les équations de Navier-Stokes formulées dans le cadre Arbitrary Lagrangian Eulerian (ALE) avec les équations élastodynamiques décrivant l'élasticité de la paroi artérielle considérée comme un matériau hyperélastique modélisé par la loi de comportement non-linéaire de Saint Venant-Kirchhoff en tant que système d'interaction fluide-structure. Théoriquement, nous prouvons l'existence et l'unicité locale dans le temps de la solution pour ce système lorsque le fluide est supposé être un fluide homogène Newtonien incompressible et que la structure est décrite par la loi de comportement non-linéaire quasi-incompressible de Saint Venant-Kirchhoff. Les résultats sont établis en utilisant l'outil clé; le théorème du point fixe. La deuxième partie est consacrée à l'analyse numérique de ce modèle. Le sang est considéré comme un fluide non-Newtonien dont le comportement et les propriétés rhéologiques sont décrits par le modèle de Carreau, tandis que la paroi artérielle est un matériau homogène incompressible décrit par les équations élastodynamiques quasi-statiques. Les simulations sont effectuées dans l'espace à deux dimensions R^2 à l'aide du logiciel FreeFem ++ en utilisant la méthode des éléments finis. Nous nous concentrons sur l'étude de la viscosité, de la vitesse et des contraintes de cisaillement maximale. En outre, nous visons à localiser les zones de recirculation qui sont formées à la suite de l'existence de la sténose. En se basant sur de ces résultats, nous procédons à la détection de la zone de solidification où le sang passe de l'état liquide à un matériau de type gelée. Ensuite, nous spécifions que le sang solidifié est un matériau élastique linéaire qui obéit à la loi de Hooke et qui subit à une force de surface externe représentant la contrainte exercée par le sang sur la zone de solidification. Les résultats numériques concernant le sang solidifié sont obtenus en résolvant les équations d'élasticité linéaires à l'aide de FreeFem ++. Nous analysons principalement la déformation de cette zone ainsi que les contraintes de cisaillement la paroi. Les résultats obtenus vont nous permettre de proposer une hypothèse pour la formulation d'un modèle de rupture. / This thesis is devoted to the mathematical modeling of the blood flow in stenosed arteries due to atherosclerosis. Atherosclerosis is a complex vascular disease characterized by the build up of a plaque leading to the narrowing of the artery. It is responsible for heart attacks and strokes. Regardless of the many risk factors that have been identified- cholesterol and lipids, pressure, unhealthy diet and obesity- only mechanical and hemodynamic factors can give a precise cause of this disease. In the first part of the thesis, we introduce the three dimensional mathematical model describing the blood-wall setting. The model consists of coupling the dynamics of the blood flow given by the Navier-Stokes equations formulated in the Arbitrary Lagrangian Eulerian (ALE) framework with the elastodynamic equations describing the elasticity of the arterial wall considered as a hyperelastic material modeled by the non-linear Saint Venant-Kirchhoff model as a fluid-structure interaction (FSI) system. Theoretically, we prove local in time existence and uniqueness of solution for this system when the fluid is assumed to be an incompressible Newtonian homogeneous fluid and the structure is described by the quasi-incompressible non-linear Saint Venant-Kirchhoff model. Results are established relying on the key tool; the fixed point theorem. The second part is devoted for the numerical analysis of the FSI model. The blood is considered to be a non-Newtonian fluid whose behavior and rheological properties are described by Carreau model, while the arterial wall is a homogeneous incompressible material described by the quasi-static elastodynamic equations. Simulations are performed in the two dimensional space R^2 using the finite element method (FEM) software FreeFem++. We focus on investigating the pattern of the viscosity, the speed and the maximum shear stress. Further, we aim to locate the recirculation zones which are formed as a consequence of the existence of the stenosis. Based on these results we proceed to detect the solidification zone where the blood transits from liquid state to a jelly-like material. Next, we specify the solidified blood to be a linear elastic material that obeys Hooke's law and which is subjected to an external surface force representing the stress exerted by the blood on the solidification zone. Numerical results concerning the solidified blood are obtained by solving the linear elasticity equations using FreeFem++. Mainly, we analyze the deformation of this zone as well as the wall shear stress. These analyzed results will allow us to give our hypothesis to derive a rupture model.

Três esquemas de captura de descontinuidade são apresentados para simular hiperbólicos de leis de conservação e equações de Navier-Stokes incompressíveis, a saber: FDHERPUS (Five Degree Hermite Upwind Scheme); RUS (Rational Upwind Scheme); e CSPUS (Cubic Spline Polynomial Upwind Scheme). Esses esquemas são baseados nos critérios de estabilidade CBC e TVD e implementados nos contextos das metodologias diferenças finitas e volumes finitos. A precisão local dos esquemas é verificada acessando o erro e a taxa de convergência em problemas testes de referência. Um estudo comparativo entre os esquemas estudados (incluido o WENO5) e o esquema bem estabelecido de van Albada, para resolver leis de conservação lineares e não lineares, é também realizado. O esquema de convecção que fornece melhores resultados em leis de conservação hiperbólicas é então examinado na simulação de escoamentos de fluidos newtonianos com superfícies livres móveis de complexidade crescente; resultados satisfatórios têm sido observados em termos do comportamento global / Three shock capturing schemes for numerical solution of hyperbolic conservation laws and incompressible Navier-Stokes equations are presented, namely: FDHERPUS (Five Degree Hermite Polynomial Upwind Scheme); RUS (Rational Upwind Scheme); and CSPUS ( Cubic Spline Polynomial Upwind Scheme). These schemes are based on CBC and TVD stability criteria and implemented in the context of finite volume methodologies. The local observed accuracy of the schemes is verified by assessing the error and convergence rate on benchmark test cases. A comparative study between the schemes (including WENO5) and the well established van. Albada scheme to solve standard linear and nonlinear hyperbolic conservation laws is also accomplished. The scheme that has provided better results in hyperbolic conservation laws is then examined in the simulation of Newtonian moving free surface flows of increasing complexity, satisfactory agreement has been observed in terms of the overall behavior

Este trabalho de pesquisa é dedicado ao desenvolvimento, análise e implementação de um novo esquema upwind de alta resolução (denominada PFDPUS) para a aproximação de termos convectivos em leis de conservação e problemas relacionados em mecânica dos fluídos. Usando variáveis normalizadas de Leonard, o equema PFDPUS é baseado em uma função polinomial por partes que satisfaz os critérios de estabilidade CBC e TVD. O desempenho do esquema PEDPUS é investigado na solução das equações de advecção de escalares, Burgers, Euler e MHD. O novo esquema é então aplicado para simular escoamentos incompressíveis envolvendo superfícies livres móveis. Para tanto, o esquema PFDPUS é implementado dentro do software CLAWPACK para problemas compressíveis, e no código Freeflow para poblemas incompressíveis. Os resultados numéricos são comparados com dados experimentais, numéricos e analíticos / This work is dedicated to the development, analysis and implementation of a new high-resolution upwind scheme (called PFDPUS) for approximation of convective terms in conservation laws and related fluid mechanics problems. By using the normalized variables of Leonard, the PFDPUS scheme is based on a piecewise polynomical function that satisfies the CBC and TVD stability criteria. The performance of the PFDPUS scheme is assessed by solving advection of scalars, Burgers, Euler and MHD equations. Then the new scheme is applied to simulate incompressible flows involving moving free surfaces. The PFDPUS scheme is implemented into the CLAWPACK software for compressible problems, and in the Freeflow code for incompressible problems. The numerical results are compared with experimental, numerical and analytical data

Neste trabalho apresenta-se um novo esquema prático tipo upwind de alta resolução, denominado EPUS (Eight-degree Polynomial Upwind Scheme), para resolver numericamente equações de conservação TVD e é implementado no contexto do método das diferenças finitas. O desempenho do esquema é investigado na resolução de sistemas hiperbólicos de leis de conservação e escoamentos incompressíveis complexos com superfícies livres. Os resultados numéricos mostraram boa concordãncia com outros resultados numéricos e dados experimentais existentes / Is this work a new practical high resolution upwinding scheme, called EPUS (Eight-degree Polynomial Upwind Scheme), for the numerical solution of transient convection-dominated conservation equations is present. The scheme is based on TVD stability criterion and is implemented in the context of the finite difference methodology. The performance of the scheme is investigated by solving hyperbolic systems of conservation laws and complex incompressible flows with free surfaces. The numerical results displayed good agreement with other existing numerical and experimental data

Résumé : Cette thèse est consacrée à l'étude des équations de Stokes et de Navier-Stokes avec des conditions aux limites de Navier dans un ouvert borné de . Le manuscrit ici est composé de trois chapitres. Dans le premier, nous considérons les équations de Stokes stationnaires avec des conditions aux limites de Navier. Nous démontrons l'existence, l'unicité et la régularité de la solution d'abord dans un cadre hilbertien puis dans le cadre de la théorie . Nous traitons aussi le cas de solutions très faibles. Dans le deuxième chapitre, nous nous intéressons aux équations de Navier-Stokes avec la condition de Navier. Sous certaines hypothèses sur les données, nous démontrons l'existence de solution faible dans , avec en utilisant un théorème du point fixe appliqué à un problème d'Oseen. Nous démontrons examinons ensuite les questions de régularité des solutions en particulier dans . Dans le dernier chapitre, nous étudions le problème d'évolution de Stokes avec la condition de Navier. La résolution de ce problème se fait au moyen de la théorie des semi-groupes analytiques qui jouent un rôle important pour établir l'existence et l'unicité de la solution dans le cas homogène. Nous traitons le cas du problème non homogène par le biais des puissances imaginaires de l'opérateur de Stokes. / This thesis is devoted to the study of the Stokes equations and Navier-Stokes equations with Navier boundary conditions in a bounded domain of . The work contains three chapters: In the first chapter, we consider the stationary Stokes equations with Navier boundary condition. We show the existence, uniqueness and regularity of the solution in the Hilbert case and in the -theory. We prove also the case of very weak solutions. In the second chapter, we focus on the Navier-Stokes equations with the Navier boundary condition. We show the existence of the weak solution in , with by a fixed point theorem over the Oseen equation. We show also the existence of the strong solution in . In chapter three, we study the evolution Stokes problem with Navier boundary condition. For this, we apply the analytic semi-groups theory, which plays a crucial role in the study of existence and uniqueness of solution in the case of the homogeneous evolution problem. We treat the case of non-homogeneous problem through imaginary powers of the Stokes operator.

Les travaux de thèse présentés dans ce manuscrit portent sur l’étude d’électrodes de silicium, matériau prometteur pour remplacer le graphite en tant que matériau actif d’électrode négative pour accumulateur Li-ion. Les mécanismes de (dé)lithiation du silicium sont d’abord étudiés, par Spectroscopie des Electrons Auger (AES). En utilisant cette technique de caractérisation de surface, qui permet d’analyser les particules individuellement dans leur environnement d’électrode, nos résultats montrent que la première lithiation du silicium s’effectue selon un mécanisme biphasé cr-Si / a-Li3,1Si tandis que les processus de (dé)lithiation suivants apparaissent complètement différents et sont du type solution solide. Ces mécanismes d’insertion / désinsertion du lithium conduisent à des variations volumiques importantes des particules de matériau actif lors du cyclage, à l’origine d’une détérioration rapide des performances électrochimiques. En combinant plusieurs techniques de caractérisation, les mécanismes de dégradation d’une électrode de silicium sont étudiés au cours du vieillissement. En utilisant en particulier la spectroscopie d’impédance électrochimique et des analyses par porosimétrie mercure, une véritable dynamique de la porosité de l’électrode est mise en évidence lors du cyclage. Un modèle de dégradation, mettant en cause principalement l’instabilité de la Solid Electrolyte Interphase (SEI) à la surface des particules de silicium, est proposé. Pour tenter de stabiliser cette couche de passivation et ainsi améliorer les performances électrochimiques des électrodes de silicium, l’influence de deux paramètres est étudiée : l’électrolyte et le « domaine de lithiation » du silicium, ce dernier paramètre étant associé à l’évolution de la composition du matériau actif lors du cyclage. A l’issue de ces travaux, des performances prometteuses sont obtenues pour des accumulateurs Li-ion comprenant une électrode de silicium. / The work presented here focuses on electrodes made of silicon, a promising material to replace graphite as an anode active material for Li-ion Batteries (LIBs). The first part of the manuscript is dedicated to the study of silicon (de)lithiation mechanisms by Auger Electron Spectroscopy (AES). By using this technique of surface characterization, which allows investigating individual particles in their electrode environment, our results show that the first silicon lithiation occurs through a two-phase region mechanism cr-Si / a-Li3,1Si, whereas the following (de)lithiation steps are solid solution type process. Upon (de)alloying with lithium, silicon particles undergo huge volume variations leading to a quick capacity fading. By combining several techniques of characterization, the failure mechanisms of a silicon electrode are studied during aging. In particular, by using electrochemical impedance spectroscopy and mercury porosimetry analyses, an impressive dynamic upon cycling of the electrode porosity is shown. A model, which mainly attributes the capacity fading to the Solid Electrolyte Interphase instability at the silicon particles surface, is proposed. To try to stabilize this passivation layer and thus improve silicon electrodes electrochemical performances, the influence of two parameters is studied: the electrolyte and the “lithiation domain” of silicon; the latter is associated with the evolution of the active material composition upon cycling. Finally, by using these last results, promising performances are obtained for silicon electrode containing LIBs.

Esta dissertação trata da solução numérica de problemas em dinâmica dos fluidos usando dois novos esquemas upwind de alta resolução, denominados FDPUS-C1 (Five-Degree Polynomial Upwind Scheme of \' C POT. 1\' Class) e SDPUS-C1 (Six-Degree Polynomial Upwind Scheme of \'C POT.1\' Class), para a discretização de termos convectivos lineares e não-lineares. Os esquemas são baseados nos critérios de estabilidade TVD (Total Variation Diminishing) e CBC (Convection Boundedness Criterion) e são implementados, nos contextos das metodologias de diferenças finitas e volumes finitos, no ambiente de simulação Freeflow (an integrated simulation system for Free surface Flow) para escoamentos imcompressíveis 2D, 2D-1/2 e 3D, ou no código bem conhecido CLAWPACK ( Conservation LAW PACKage) para problemaw compressíveis 1D e 2D. Vários testes computacionais são feitos com o objetivo de verificar e validar os métodos numéricos contra esquemas upwind populares. Os novos esqumas são então aplicados na resolução de uma gama ampla de problemas em CFD (Computational Fluids Dynamics), tais como propagação de ondas de choque e escoamentos incompressíveis envolvendo superfícies livres móveis. Em particular, os resultados numéricos para leis de conservação hiperbólicas 2D e equações de Navier-Stokes incompressíveis 2D, 2D-1/2 e 3D demosntram que esses novos esquemas convectivos tipo upwind polinomiais funcionam muito bem / This dissertation deals with the numerical solution of fluid dynamics problems using two new high resolution upwind schemes,. namely FDPUS-C1 and SDPUS-C1, for the discretization of the linear and non-linear convection terms. The Schemes are based on TVD and DBC stability criteria and are implemented in the context of the finite difference and finite volume methodologies, either into the Freeflow code for 2D, 2D-1/2 and 3D incompressible flows or in the well-known CLAWPACK code for 1D and 2D compressible flows. Several computational tests are performed to verify and validate the numerical methods against other popularly used upwind schemes. The new schemes are then applied to solve a wide range of problems in CFD, such as shock wave propagation and incompressible fluid flows involving moving free msurfaces. In particular, the numerical results for 2D hyperbolic conservation laws and 2D, 2D-1/2 and 3D incompressible Navier-Stokes eqautions show that new polynomial upwind convection schemes perform very well

Lors de la rentrée atmosphérique nous sommes amenés à modéliser trois phénomènes physiques différents. Tout d'abord, l'écoulement autour du véhicule entrant dans l'atmosphère est hypersonique,il est caractérisé par la présence d'un choc fort et provoque un fort échauffement du véhicule. Nous modélisons l'écoulement par les équations de Navier-Stokes compressibles et l'échauffement du véhicule au moyen de la thermique anisotrope. De plus le véhicule est protégé par un bouclier thermique siège de réactions chimiques que l'on nomme communément ablation.Dans le premier chapitre de cette thèse nous présentons le schéma numérique de diffusion CCLAD (Cell-Centered LAgrangian Diffusion) que nous utilisons pour résoudre la thermique anisotrope. Nous présentons l'extension en trois dimensions de ce schéma ainsi que sa parallélisation.Nous continuons le manuscrit en abordant l'extension de ce schéma à une équation de diffusion tensorielle. Cette équation est obtenue en supprimant les termes convectifs de l'équation de quantité de mouvement des équations de Navier-Stokes. Nous verrons qu'une pénalisation doit être introduite afin de pouvoir inverser la loi constitutive et ainsi appliquer la méthodologie CCLAD. Nous présentons les propriétés numériques du schéma ainsi obtenu et effectuons des validations numériques.Dans le dernier chapitre, nous présentons un schéma numérique de type Volumes Finis permettant de résoudre les équations de Navier-Stokes sur des maillages non-structurés obtenu en réutilisant les deux schémas de diffusion présentés précédemment. / When studying the problem of atmospheric reentry we need to model three different physical phenomenons. First, the ow around the atmospheric reentry vehicle is hypersonic, it is characterized by the presence of a strong shock which leads to a rapid heating of the vehicle. We model the ow using the compressible Navier-Stokes equations and the heating of the vehicle is modeled with the anisotropic heat transfer equation. Furthermore the vehicle is protected by an heat shield, where thermochemical reactions, commonly named ablation, occurs.In the first chapter of this thesis we introduce the numerical diffusion scheme CCLAD (Cell-Centered LAgrangian Diffusion) that we use to solve the anisotropic heat diffusion. We develop its non trivial extension to three-dimensional geometries and present its parallelization. We continue this thesis by the presentation of the extension of this scheme to tensorial diffusion. This equation is obtained by suppressing the convective terms of the momentum equation of the Navier-Stokes equations. We show that we need to introduce a penalization term in order to be able to invert the constitutive law. The invertibility of the constitutive law allows us to apply the CCLAD methodology to this equation straightforwardly. We present the numerical properties of this scheme and show numerical validations.In the last chapter, we present a Finite Volume scheme on unstructured grids that solves the compressible Navier-Stokes equations. This numerical scheme is mainly obtained by gathering the contributions of the two diffusion schemes we developed in the previous chapters.