O fenômeno de molhamento, estudo de como um líquido se deposita em um sólido, apresenta problemas ainda em aberto, dos pontos de vista da modelagem física e da simulação numérica. O maior interesse acadêmico neste tipo de escoamento é a linha tríplice (ou linha de contato) formada da interação sólido-líquido-gás. A condição de contorno clássica de não escorregamento na interface líquido-sólido leva a uma singularidade no tensor de tensões nesta linha. Além disso, ainda não está estabelecido qual o melhor modelo para descrever o ângulo de contato formado entre a superfície livre e o substrato (o sólido). Neste trabalho, são discutidos métodos numéricos para a simulação de linhas de contato dinâmicas. Os efeitos da tensão superficial são estudados com a abordagem do princípio do trabalho virtual, o qual leva o problema à equações na formulação variacional, linguagem natural para o tratamento numérico com o método dos elementos finitos (FEM). O domínio é discretizado por uma malha não-estruturada de forma que as interfaces separadoras são explicitamente representadas pela malha. As derivadas temporais são tratadas em uma abordagem Lagrangeana-Euleriana arbitrária (ALE). Finalmente, são apresentados os resultados numéricos obtidos com o método ALE-FEM, discutindo alguns aspectos da sua convergência temporal e espacial. / Wetting phenomena, study of how of a liquid spreads out on a solid substrate, presents challenges both in physical modeling and in numerical simulation. The triple line (or contact line) formed by the solid-liquid-gas interaction has increasingly attracted the attention of the fluid dynamic community. The classical no-slip boundary condition on the liquid-solid interface leads to a singularity in the stress tensor at contact lines. Furthermore, there is no consensus on what the best model to describe the dynamics of the contact angle formed by the solid substrate and free surface. In this work, numerical methods for simulating dynamic contact lines are considered. The capillarity effects are studied in the approach of the virtual-work principle, which describes the problem in the variational formulation, natural language for numerical treatment with the finite element method (FEM). The domain is discretized by a dynamic unstructured mesh, where the separating interfaces are explicit represented by the mesh. Time derivatives present in the governing equations are treated with the arbitrary Lagrangian-Eulerian (ALE) framework. Finally, we discuss some temporal and spatial convergence issues ofthe ALE-FEM method.

Heart disease is the leading cause of death in the world. Therefore, numerous studies are undertaken to identify indicators which can be applied to discover cardiac dysfunctions at an early age. Among others, the fluid dynamics of the blood flow (hemodymanics) is considered to contain relevant information related to abnormal performance of the heart.This thesis presents a robust framework for numerical simulation of the fluid dynamics of the blood flow in the left ventricle of a human heart and the fluid-structure interaction of the blood and the aortic leaflets.We first describe a patient-specific model for simulating the intraventricular blood flow. The motion of the endocardial wall is extracted from data acquired with medical imaging and we use the incompressible Navier-Stokes equations to model the hemodynamics within the chamber. We set boundary conditions to model the opening and closing of the mitral and aortic valves respectively, and we apply a stabilized Arbitrary Lagrangian-Eulerian (ALE) space-time finite element method to simulate the blood flow. Even though it is difficult to collect in-vivo data for validation, the available data and results from other simulation models indicate that our approach possesses the potential and capability to provide relevant information about the intraventricular blood flow.To further demonstrate the robustness and clinical feasibility of our model, a semi-automatic pathway from 4D cardiac ultrasound imaging to patient-specific simulation of the blood flow in the left ventricle is developed. The outcome is promising and further simulations and analysis of large data sets are planned.In order to enhance our solver by introducing additional features, the fluid solver is extended by embedding different geometrical prototypes of both a native and a mechanical aortic valve in the outflow area of the left ventricle.Both, the contact as well as the fluid-structure interaction, are modeled as a unified continuum problem using conservation laws for mass and momentum. To use this ansatz for simulating the valvular dynamics is unique and has the expedient properties that the whole problem can be described with partial different equations and the same numerical methods for discretization are applicable.All algorithms are implemented in the high performance computing branch of Unicorn, which is part of the open source software framework FEniCS-HPC. The strong advantage of implementing the solvers in an open source software is the accessibility and reproducibility of the results which enhance the prospects of developing a method with clinical relevance. / <p>QC 20171006</p>

Die künstliche Grundwasserabsenkung stellt eine wichtige Maßnahme für die Entwässerung von Baugruben und bergbaulich genutzten Flächen dar. Eine erfolgreiche und zielgerichtete Absenkung des Grundwasserspiegels setzt ein zweckmäßiges Design und die richtige Auswahl der genutzten Absenkungstechniken voraus. Dabei sind insbesondere die Dimension des abzusenkenden Bereichs, die Untergrundbeschaffenheit sowie zu erfüllende umweltschutzrechtliche Regelungen zu berücksichtigen. Zur Grundwasserabsenkung kommen üblicherweise verschiedene Ausführungen und Anordnungen von Pumpbrunnen zum Einsatz. Konventionelle Pumpbrunnen, welche für Absenkungsmaßnahmen eingesetzt werden, entnehmen Grundwasser aus dem Aquifer. Durch das fortwährende Abpumpen von in der Regel erheblichen Wassermengen können jedoch Umweltprobleme entstehen, und es ist mit zusätzlichen Entsorgungskosten für die Ableitung des geförderten Wassers zu rechnen. Im Gegensatz hierzu stellen vertikale Zirkulationsbrunnen (VCW) einen innovativen Ansatz dar, der eine lokale Grundwasserabsenkung ohne Nettowasserentnahme aus dem Aquifer erlaubt. Ein VCW kann als ein Einbohrlochsystem aufgefasst werden, bei dem im oberen Bereich eines Brunnens Wasser entnommen und dieses in einem separaten, weiter unten installierten Brunnenbereich wieder injiziert wird. Die erfolgreiche Anwendung dieser neuen Grundwasserabsenkungstechnik erfordert die genaue Kenntnis der Faktoren, welche für die Grundwasserströmungsverhältnisse relevant sind und somit die Absenkung bestimmen. Traditionelle Berechnungsansätze vernachlässigen oft vertikale Grundwasserbewegungen und sind deshalb für die Beschreibung der komplexen Strömungsverhältnisse in unmittelbarer Nähe eines VCW nicht geeignet. Aus diesem Grund steht die systematische Untersuchung der Grundwasserströmung unter Berücksichtigung vertikaler Strömungskomponenten im Hauptfokus dieser Arbeit. Die Untersuchungen beschäftigen sich in erster Linie mit der Entwicklung einer geeigneten Simulationsmethode, mit der Evaluierung des Einflusses relevanter hydrogeologischer Parameter sowie mit der Durchführung und Auswertung von Pumpversuchen an einem Feldstandort. Die hier vorgestellte neue Simulationsmethode koppelt den sogenannten Arbitrary‐Lagrangian‐Eulerian‐(ALE)‐Algorithmus mit der Grundwasserströmungsgleichung. Die Simulationsergebnisse werden mit mehreren analytischen Lösungen verglichen und verifiziert. Das entwickelte numerische Modell berücksichtigt auch Vertikalströmungen und eignet sich somit zur Simulation der Grundwasserströmung in der Nähe von VCW. Folglich kann nun die Lage des Grundwasserspiegels, vor allem für ungespannte Grundwasserleiter, präzise berechnet werden. Nach erfolgter Kalibrierung des numerischen Modells anhand von Felddaten wurde eine Sensitivitätsanalyse relevanter Parameter im Hinblick auf die erzielte Absenkung und deren Auswirkungen auf die Grundwasserströmungssituation durchgeführt. Die dabei erhaltenen Ergebnisse zeigen, dass die Grundwasserabsenkung proportional zur Pumprate, indirekt proportional zur hydraulischen Leitfähigkeit und fast unabhängig von der Anisotropie des Grundwasserleiters um den VCW ist. Des Weiteren zeigte sich, dass die Lage des oberen Entnahmepunktes einen größeren Einfluss auf die Absenkung als die Lage des darunter liegenden Injektionspunktes hat. Die Größe des von der Grundwasserzirkulation beeinflussten Bereiches hängt dagegen neben dem Abstand dieser beiden Punkte hauptsächlich auch von der Anisotropie des Aquifermaterials ab. Um den Einfluss der Hydrostratigraphie auf die Grundwasserströmung zu untersuchen, wurden die Eigenschaften der einzelnen Schichten genau charakterisiert. Hierfür wurden Direct‐Push‐, Pump‐, Injektions‐ sowie Zirkulationsversuche an einem Feldstandort durchgeführt. Zudem wurden Bohrkerne entnommen und mithilfe von Siebanalysen vertikale Korngrößenverteilungsprofile im Labor bestimmt. Die eingesetzten experimentellen Methoden stellen in Kombination mit numerischen Simulationsrechnungen eine gute Basis dar, um die Rolle der Schichtstruktur im Aquifer besser beurteilen zu können. Die Untersuchungen leisten somit einen wichtigen Beitrag für das zukünftige Design und den Betrieb von VCW für Grundwasserabsenkungszwecke in ungespannten Grundwasserleitern. Zudem zeigt die hier vorliegende Arbeit das große Potential dieser neuen Grundwasserabsenkungstechnik als vielversprechende Alternative zu konventionellen Absenkungsverfahren auf.

A interação entre fluidos e estruturas caracteriza um problema multi-físico não linear e está presente numa grande variedade de áreas da engenharia. Este trabalho apresenta o desenvolvi mento de ferramentas computacionais com base no Método dos Elementos Finitos (MEF) para a análise de interação fluido-estrutura (IFE) considerando escoamentos com baixas velocidades. Dada a interdisciplinaridade do tema, se faz necessário o estudo em três diferentes assuntos: a dinâmica das estruturas computacional, a dinâmica dos fluidos computacional, e o problema de acoplamento. No caso da dinâmica das estruturas empregar-se um elemento finito que seja adequado para a simulação de problemas de IFE, que claramente demandam uma análise não linear geométrica, optando-se pelo emprego de uma formulação descrita em posições, a qual evita problemas relativos à aproximação de rotações finitas. Quanto à dinâmica dos fluidos computacional, é empregado um método estável e ao mesmo tempo sensível à movimentação da estrutura, utilizando a descrição Lagrangeana-Euleriana Arbitrária (ALE). Os casos considerados neste trabalho, assim como muitos dos problemas de engenharia, ocorrem com escoamentos em baixas velocidades, implicando na incompressibilidade do fluido, o que demanda, para um método estável, a utilização de elementos que atendam à condição de Ladyzhenskaya-Babuska-Brezzi (LBB). Além disso, é necessário também o emprego de métodos que consigam neutralizar as variações espúrias decorrentes da não-linearidade de possíveis escoamentos com convecção dominante e que surgem com a aplicação do processo clássico de Galerkin. Para superar esse problema, é aplicado o método Streamline-Upwind/Petrov-Galerkin (SUPG), que adiciona difusividade artificial na direção do escoamento, controlando a amplitude dos termos convectivos. No que se refere ao acoplamento fluido-casca, buscam-se modularidade e versatilidade adotando-se o modelo particionado. O modelo de acoplamento implementado garante ainda a utilização de malhas do fluido e da estrutura sem a necessidade de coincidência de nós. / Interaction between fluids and structures characterizes a nonlinear multi-physics problem presente in a wide range of engineering fields. This works presets the development of computational tools based on finite element method (FEM) for fluid-structure interaction (FSI) analysis considering low speed flows (incompressible), as a great part of the engineering problems. Given the topic multidisciplinary nature, it is necessary to study three different subjects: the computational structural dynamics, the computational fluid mechanics and the coupling problem. Regarding structural mechanics, we seek to employ a finite element adequate to FSI simulation, what clearly demands a geometric nonlinear analysis. We chose to employ shell elements with formulation in terms of positions, which avoids problems related to finite rotations approximations. Concerning computational fluid dynamics, we employ a stable method, at same time sensible o structural movements, which is written in the arbitrary Lagrangian-Eulerian (ALE) description. The flow incompressibility demands, for a stable method, the use of elements according to the Ladyzhenskaya-Bbuska-Brezzi (LBB) condition. It is also necessary to employ methods able to neutralize the spurious variations that appears from convection dominated flows when applying the standard Galerking method. In order to overcome this problem, we apply the Streamline-Upwind/Petrov-Galerkin (SUPG) method, which adds artificial diffusivity to the streamline direction, controlling spurious variations. Considering the fluid-shell coupling, we seek modularity and versatility, adopting the partitioned model. The developed coupling model ensure the use of fluid and structure meshes with no need for matching nodes.

Um método lagrangeano-euleriano arbitrário para a resolução de escoamentos dominados por tensão superficial é apresentado neste trabalho. Tais escoamentos são importantes em muitas aplicações, especialmente em canais capilares que frequentemente aparecem em escoamentos em microescala. A resolução deste tipo de escoamento apresenta vários desafios que são abordados neste trabalho. O escoamento é resolvido somente para a fase líquida, com condições de contorno apropriadas para a superfície livre que delimita o líquido e o gás, que é representada por arestas e vértices da malha computacional. Esta se move e se deforma, sendo que sua qualidade é mantida sob controle para não degradar a solução numérica. As equações de Navier-Stokes são discretizadas pelo método de elementos finitos em um referencial arbitrário. O método de incorporação dos efeitos de tensão superficial e linha de contato é explicado em detalhes. Validações comprovam a precisão do método proposto, com comparações através de soluções pseudo-analíticas para casos simples. Finalmente alguns resultados sobre escoamentos em capilares são apresentados / An arbitrary lagrangian-eulerian finite element method to solve surface tension dominated flows is presented. Such flows are important in many applications, particularly in capillary channels, that appear in microscale flows. The resolution of such flows presents several challenges that are addressed in this work. The flow is solved only in the liquid phase, and proper boundary conditions are applied on the free-surface, bounding the liquid and gas, which is explicitly represented by vertices and edges of the computational mesh. The mesh is moved and deformed, but its quality is kept under control in order to control errors in the numerical solution. The Navier-Stokes equations are discretized by standard Galerkin finite element method in an arbitrary reference. Details of the computation of surface tension and contact line effects are presented. The methodology is validated for a number of simple test cases against known pseudo-analytical solutions, and numerical results are presented, showing the robustness and accuracy of the methodology. Finally, some results about surface-tension-driven flows in capillaries are presented

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.

Este trabalho consiste no desenvolvimento de ferramentas computacionais para análise não linear geométrica de interação fluido-casca utilizando o Método dos Elementos Finitos (MEF). O algoritmo para dinâmica dos fluidos é explícito e a integração temporal é baseada em linhas características. O código computacional é capaz de simular as equações de Navier-Stokes para escoamentos compressíveis tanto na descrição Euleriana como na descrição Lagrangeana-Euleriana arbitrária (ALE), na qual é possível prescrever movimentos para a malha do fluido. A estrutura é modelada em descrição Lagrangeana total através de uma formulação de MEF para análise dinâmica não linear geométrica de cascas baseada no teorema da mínima energia potencial total escrito em função das posições nodais e vetores generalizados e não em deslocamentos e rotações. Essa característica evita o uso de aproximações de grandes rotações. Dois modelos de acoplamentos são desenvolvidos. O primeiro modelo, ideal para problemas onde a escala de deslocamentos não é muito grande comparada com as dimensões do domínio do fluido, é baseado na descrição ALE e o acoplamento entre as duas diferentes malhas é feito através do mapeamento das posições locais dos nós do contorno do fluido sobre os elementos de casca e vice-versa, evitando a necessidade de coincidência entre os nós da casca e do fluido. A malha do fluido é adaptada dinamicamente usando um procedimento simples baseado nas posições e velocidades nodais da casca. O segundo modelo de acoplamento, ideal para problemas com grande escala de deslocamentos tais como estruturas infláveis, considera a casca imersa na malha do fluido e consiste em um procedimento robusto baseado em curvas de nível da função distância assinalada do contorno, o qual integra o algoritmo Lagrangeano de casca com o Fluido em descrição Euleriana, sem necessidade de movimentação da malha do fluido, onde a representação computacional do fluido se resume a uma malha não estruturada maior ou igual ao domínio inicial do fluido e a interface fluido-casca dentro da malha do fluido é identificada por meio de curvas de nível da função distância assinalada do contorno. Ambos os modelos são testados através de exemplos numéricos mostrando robustez e eficiência. Finalmente, como uma sugestão para o futuro desenvolvimento desta pesquisa, iniciaram-se estudos relativos a funções B-splines. O uso desse tipo de funções deverá resolver problemas de estabilidade relativos a oscilações espúrias devidas ao uso de polinômios de Lagrange para a representação de descontinuidades. / This work consists of the development of computational tools for nonlinear geometric fluid-shell interaction analysis using the Finite Element Method (FEM). The fluid solver is explicit and its time integration based on characteristics. The computational code is able to simulate the Navier-Stokes equations for compressible flows written in the Eulerian description as well as in the arbitrary Lagrangian-Eulerian (ALE) description, enabling movements prescription for the fluid mesh. The structure is modeled in a total Lagrangian description, using a FEM formulation to deal with geometrical nonlinear dynamics of shells based on the minimum potential energy theorem written regarding nodal positions and generalized unconstrained vectors, not displacements and rotations, avoiding the use of large rotation approximations. Two partitioned coupling models are developed. The first model, ideal for simulations where the displacements scale is not very large compared to the fluid domain, is based on the ALE description and the coupling between the two different meshes is done by mapping the fluid boundary nodes local positions over the shell elements and vice-versa, avoiding the need for matching fluid and shell nodes. The fluid mesh is adapted using a simple approach based on shell nodal positions and velocities. The second model, ideal for problems with large scales of displacements such as inflatable structures, is based on immersed boundary and consists of a robust level-set based approach that integrates the Lagrangian shell finite and the Eulerian finite element high speed fluid flow solver, with no need for mesh adaptation, where the fluid representation relies on a fixed unstructured mesh larger or equal to the initial fluid domain and the fluid-shell interface inside the fluid mesh is tracked with level sets of a boundary signed distance function. Both models are tested with numerical examples, showing efficiency and robustness. Finally, as a suggestion for future development of this research, we started studies relatives to B-Spline functions. The use of this kind of functions should solve stability problems related to spurious oscillations due to the use of Lagrange polynomials for representing discontinuities.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Um código computacional para escoamentos bifásicos incorporando metodologia híbrida entre oMétodo dos Elementos Finitos e a descrição Lagrangeana-Euleriana Arbitrária do movimento é usado para simular a dinâmica de um jato transversal de gotas na zona primária de quebra. Os corpos dispersos são descritos por meio de um método do tipo front-tracking que produz interfaces de espessura zero através de malhas formadas pela união de elementos adjacentes em ambas as fases e de técnicas de refinamento adaptativo. Condições de contorno periódicas são implementadas de modo variacionalmente consistente para todos os campos envolvidos nas simulações apresentadas e uma versão modificada do campo de pressão é adicionada à formulação do tipo um-fluido usada na equação da quantidade de movimento linear. Simulações numéricas diretas em três dimensões são executadas para diferentes configurações de líquidos imiscí veis compatíveis com resultados experimentais encontrados na literatura. Análises da hidrodinâmica do jato transversal de gotas nessas configurações considerando trajetórias, variação de formato de gota, espectro de pequenas perturbações, além de aspectos complementares relativos à qualidade de malha são apresentados e discutidos. / A two-phase flow computational code taking a hybrid Arbitrary Lagrangian-Eulerian desciption of movement along with the Finite Element Method is used to simulate the dynamics of an incompressible drop jet in crossflow in the primary breakup zone. Dispersed entities are described by means of a front-tracking method which produces zero-thickness interfaces through contiguous element meshing and adaptive refinement techniques. Periodic boundary conditions are implemented in a variationally consistent way for all the scalar fields involved in the presented simulations and amodified version of the pressure field is added to the one-fluid formulation employed in the momentum equation. Three-dimensional direct numerical simulations for different flow configurations of immiscible liquids pertinent to experimental results found in literature. Analyses of the hydrodynamics of the drop jet in crossflow in these configurations considering trajectories, drop shape variations, spectrum of small disturbances, besides additional aspects relating to mesh quality are presented and discussed.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Um código computacional para escoamentos bifásicos incorporando metodologia híbrida entre oMétodo dos Elementos Finitos e a descrição Lagrangeana-Euleriana Arbitrária do movimento é usado para simular a dinâmica de um jato transversal de gotas na zona primária de quebra. Os corpos dispersos são descritos por meio de um método do tipo front-tracking que produz interfaces de espessura zero através de malhas formadas pela união de elementos adjacentes em ambas as fases e de técnicas de refinamento adaptativo. Condições de contorno periódicas são implementadas de modo variacionalmente consistente para todos os campos envolvidos nas simulações apresentadas e uma versão modificada do campo de pressão é adicionada à formulação do tipo um-fluido usada na equação da quantidade de movimento linear. Simulações numéricas diretas em três dimensões são executadas para diferentes configurações de líquidos imiscí veis compatíveis com resultados experimentais encontrados na literatura. Análises da hidrodinâmica do jato transversal de gotas nessas configurações considerando trajetórias, variação de formato de gota, espectro de pequenas perturbações, além de aspectos complementares relativos à qualidade de malha são apresentados e discutidos. / A two-phase flow computational code taking a hybrid Arbitrary Lagrangian-Eulerian desciption of movement along with the Finite Element Method is used to simulate the dynamics of an incompressible drop jet in crossflow in the primary breakup zone. Dispersed entities are described by means of a front-tracking method which produces zero-thickness interfaces through contiguous element meshing and adaptive refinement techniques. Periodic boundary conditions are implemented in a variationally consistent way for all the scalar fields involved in the presented simulations and amodified version of the pressure field is added to the one-fluid formulation employed in the momentum equation. Three-dimensional direct numerical simulations for different flow configurations of immiscible liquids pertinent to experimental results found in literature. Analyses of the hydrodynamics of the drop jet in crossflow in these configurations considering trajectories, drop shape variations, spectrum of small disturbances, besides additional aspects relating to mesh quality are presented and discussed.

Numerical solution of differential equations having multitude of scales in the solution field is one of the most challenging research areas, but highly demanded in scientific and industrial applications. One of the natural approaches for handling such problems is to separate the scales and approximate the solution of the segregated scales with appropriate numerical method. Variational multiscale method (VMS) is a predominant method in the paradigm of scale separation schemes. In our work we have used the VMS technique to develop a numerical scheme for computations of turbulent flows in time-dependent domains. VMS allows separation of the entire range of scales in the flow field into two or three groups, thereby enabling a different numerical treatment for the different groups. In the context of computational fluid dynamics(CFD), VMS is a significant new improvement over the classical large eddy simulation (LES). VMS does away with the commutation errors arising due to filtering in LES. Further, in a three-scale VMS approach the model for the subgrid scale can be contained to only a part of the resolved scales instead of effecting the entire range of resolved scales. The projection based VMS scheme that we have developed gives a robust and efficient method for solving problems of turbulent fluid flows in deforming domains, governed by incompressible Navier {Stokes equations. In addition to the existing challenges due to turbulence, the computational complexity of the problem increases further when the considered domain is time-dependent. In this work, we have used an arbitrary Lagrangian-Eulerian (ALE) based VMS scheme to account for the domain deformation. In the proposed scheme, the large scales are represented by an additional tensor valued space. The resolved large and small scales are computed in a single unified equation, and the effect of unresolved scales is confined only to the resolved small scales, by using a projection operator. The popular Smagorinsky eddy viscosity model is used to approximate the effects of unresolved scales. The used ALE approach consists of an elastic mesh update technique. Moreover, a computationally efficient scheme is obtained by the choice of orthogonal finite element basis function for the resolved large scales, which allows to reformulate the ALE-VMS system matrix into the standard form of the NSE system matrix. Thus, any existing Navier{Stokes solver can be utilized for this scheme, with modifications. Further, the stability and error estimates of the scheme using a linear model of the NSE are also derived. Finally, the proposed scheme has been validated by a number of numerical examples over a wide range of problems.