Cette thèse s'intéresse à la conception et à l'analyse de méthodes de discrétisation hybrides pour les inégalités variationnelles non linéaires apparaissant en mécanique des fluides et des solides. Les principaux avantages de ces méthodes sont la conservation locale au niveau des mailles, la robustesse par rapport à différents régimes de paramètres et la possibilité d’utiliser des maillages polygonaux / polyédriques avec des nœuds non coïncidants, ce qui est très intéressant dans le contexte de l’adaptation de maillage. Les méthodes de discrétisation hybrides sont basées sur des inconnues discrètes attachées aux faces du maillage. Des inconnues discrètes attachées aux mailles sont également utilisées, mais elles peuvent être éliminées localement par condensation statique. Deux applications principales des discrétisations hybrides sont abordées dans cette thèse. La première est le traitement par la méthode de Nitsche du problème de contact de Signorini (dans le cas scalaire) avec une non-linéarité dans les conditions aux limites. Nous prouvons des estimations d'erreur optimales conduisant à des taux de convergence d'erreur d'énergie d'ordre (k + 1), si des polynômes de face de degré k >= 0 sont utilisés. La deuxième application principale concerne les fluides à seuil viscoplastiques. Nous concevons une méthode de Lagrangien augmenté discrète appliquée à la discrétisation hybride. Nous exploitons la capacité des méthodes hybrides d’utiliser des maillages polygonaux avec des nœuds non coïncidants afin d'effectuer l’adaptation de maillage local et mieux capturer la surface limite. La précision et la performance des schémas sont évaluées sur des cas tests bidimensionnels, y compris par des comparaisons avec la littérature / This thesis is concerned with the devising and the analysis of hybrid discretization methods for nonlinear variational inequalities arising in computational mechanics. Salient advantages of such methods are local conservation at the cell level, robustness in different regimes and the possibility to use polygonal/polyhedral meshes with hanging nodes, which is very attractive in the context of mesh adaptation. Hybrid discretizations methods are based on discrete unknowns attached to the mesh faces. Discrete unknowns attached to the mesh cells are also used, but they can be eliminated locally by static condensation. Two main applications of hybrid discretizations methods are addressed in this thesis. The first one is the treatment using Nitsche's method of Signorini's contact problem (in the scalar-valued case) with a nonlinearity in the boundary conditions. We prove optimal error estimates leading to energy-error convergence rates of order (k+1) if face polynomials of degree k >= 0 are used. The second main application is on viscoplastic yield flows. We devise a discrete augmented Lagrangian method applied to the present hybrid discretization. We exploit the capability of hybrid methods to use polygonal meshes with hanging nodes to perform local mesh adaptation and better capture the yield surface. The accuracy and performance of the present schemes is assessed on bi-dimensional test cases including comparisons with the literature

Neste trabalho desenvolveu-se uma formulação adaptativa do método de elementos de contorno (MEC) para a análise de problemas de fratura elástica linear. Foi utilizado o método da colocação para a formulação das equações integrais de deslocamento e de tensão. Para a discretização das equações integrais foram utilizados elementos lineares que possibilitaram a obtenção das expressões exatas das integrais (integração analítica) sobre elementos de contorno e fratura. Para a montagem do sistema de equações algébricas foram utilizadas apenas equações de deslocamento, apenas equações de forças de superfície, ou as duas escritas para nós opostos da fratura levando, portanto ao método dos elementos de contorno dual usualmente empregado na análise de fratura. Para o processo de crescimento da trinca foi desenvolvido um procedimento especial objetivando a correta determinação da direção de crescimento da trinca. Os fatores de intensidade de tensão são calculados por meio da conhecida técnica de correlação de deslocamentos a qual relaciona os deslocamentos atuantes nas faces da fissura. Após a determinação dos fatores de intensidade de tensão é utilizada a teoria da máxima tensão circunferencial para a determinação do ângulo de propagação. O modelo adaptativo empregado é do tipo h onde apenas a sub-divisão dos elementos é feita com base em erros estimados. O erro a ser considerado foi estimado a partir de normas onde se consideraram: a variação aproximada dos deslocamentos, a variação das forças de superfície e a variação da energia de deformação do sistema, calculada com a sua integração sobre o contorno. São apresentados exemplos numéricos para demonstrar a eficiência dos procedimentos propostos. / In this work, an adaptative formulation of the boundary element method is developed to analyze linear elastic fracture problems. The collocation point method was used to formulate the integral equations for the displacements and stresses (or tractions). To discretize the integral equations, linear elements were used to obtain the exact expressions of the integrals over boundary elements and fracture. To construct the linear system of equations were used only displacement equations, traction equations or both of them written for opposite nodes of the fracture, leading to the dual boundary element formulation usually employed in the fracture analyses. For the process of growth of the crack a special procedure was developed aiming at the correct determination of the direction of growth of the crack. The stress intensity factors, to calculate he crack growth angle, are calculated through of correlation displacements technique which relates the displacements actuants in the faces of the crack. The employed adaptative model is the h-type where only the sub-division of the elements is done based on error estimate. The error estimates considered in this work are based on the following norms: displacement, traction and strain energy variations, this last considered from the integration over the boundary. Numerical examples are presented to demonstrate the efficiency of the proposed procedures.

Neste trabalho desenvolveu-se uma formulação adaptativa do método de elementos de contorno (MEC) para a análise de problemas de fratura elástica linear. Foi utilizado o método da colocação para a formulação das equações integrais de deslocamento e de tensão. Para a discretização das equações integrais foram utilizados elementos lineares que possibilitaram a obtenção das expressões exatas das integrais (integração analítica) sobre elementos de contorno e fratura. Para a montagem do sistema de equações algébricas foram utilizadas apenas equações de deslocamento, apenas equações de forças de superfície, ou as duas escritas para nós opostos da fratura levando, portanto ao método dos elementos de contorno dual usualmente empregado na análise de fratura. Para o processo de crescimento da trinca foi desenvolvido um procedimento especial objetivando a correta determinação da direção de crescimento da trinca. Os fatores de intensidade de tensão são calculados por meio da conhecida técnica de correlação de deslocamentos a qual relaciona os deslocamentos atuantes nas faces da fissura. Após a determinação dos fatores de intensidade de tensão é utilizada a teoria da máxima tensão circunferencial para a determinação do ângulo de propagação. O modelo adaptativo empregado é do tipo h onde apenas a sub-divisão dos elementos é feita com base em erros estimados. O erro a ser considerado foi estimado a partir de normas onde se consideraram: a variação aproximada dos deslocamentos, a variação das forças de superfície e a variação da energia de deformação do sistema, calculada com a sua integração sobre o contorno. São apresentados exemplos numéricos para demonstrar a eficiência dos procedimentos propostos. / In this work, an adaptative formulation of the boundary element method is developed to analyze linear elastic fracture problems. The collocation point method was used to formulate the integral equations for the displacements and stresses (or tractions). To discretize the integral equations, linear elements were used to obtain the exact expressions of the integrals over boundary elements and fracture. To construct the linear system of equations were used only displacement equations, traction equations or both of them written for opposite nodes of the fracture, leading to the dual boundary element formulation usually employed in the fracture analyses. For the process of growth of the crack a special procedure was developed aiming at the correct determination of the direction of growth of the crack. The stress intensity factors, to calculate he crack growth angle, are calculated through of correlation displacements technique which relates the displacements actuants in the faces of the crack. The employed adaptative model is the h-type where only the sub-division of the elements is done based on error estimate. The error estimates considered in this work are based on the following norms: displacement, traction and strain energy variations, this last considered from the integration over the boundary. Numerical examples are presented to demonstrate the efficiency of the proposed procedures.

The main purpose of this study is to develop a flow solver that employs triangular grids to solve two-dimensional, viscous, laminar, steady, incompressible flows. The flow solver is based on Least Squares Spectral Element Method (LSSEM). It has p-type adaptive mesh refinement/coarsening capability and supports p-type nonconforming element interfaces. To validate the developed flow solver several benchmark problems are studied and successful results are obtained. The performances of two different triangular nodal distributions, namely Lobatto distribution and Fekete distribution, are compared in terms of accuracy and implementation complexity. Accuracies provided by triangular and quadrilateral grids of equal computational size are compared. Adaptive mesh refinement studies are conducted using three different error indicators, including a novel one based on elemental mass loss. Effect of modifying the least-squares functional by multiplying the continuity equation by a weight factor is investigated in regards to mass conservation.

Least-squares finite element method (LSFEM) is employed to simulate 2-D and axisymmetric flows governed by the compressible Euler equations. Least-squares formulation brings many advantages over classical Galerkin finite element methods. For non-self-adjoint systems, LSFEM result in symmetric positive-definite matrices which can be solved efficiently by iterative methods. Additionally, with a unified formulation it can work in all flight regimes from subsonic to supersonic. Another advantage is that, the method does not require artificial viscosity since it is naturally diffusive which also appears as a difficulty for sharply resolving high gradients in the flow field such as shock waves. This problem is dealt by employing adaptive mesh refinement (AMR) on triangular meshes. LSFEM with AMR technique is numerically tested with various flow problems and good agreement with the available data in literature is seen.

Coupled systems are ubiquitous in modern engineering and science. Such systems can encompass fluid dynamics, structural mechanics, chemical species transport and electrostatic effects among other components, all of which can be coupled in many different ways. In addition, such models are usually multiscale, making their numerical simulation challenging, and necessitating the use of adaptive modeling techniques. The multiscale, multiphysics models of electrosomotic flow (EOF) constitute a particularly challenging coupled flow system. A special feature of such models is that the coupling between the electric physics and hydrodynamics is via the boundary. Numerical simulations of coupled systems are typically targeted towards specific Quantities of Interest (QoIs). Adjoint-based approaches offer the possibility of QoI targeted adaptive mesh refinement and efficient parameter sensitivity analysis. The formulation of appropriate adjoint problems for EOF models is particularly challenging, due to the coupling of physics via the boundary as opposed to the interior of the domain. The well-posedness of the adjoint problem for such models is also non-trivial. One contribution of this dissertation is the derivation of an appropriate adjoint problem for slip EOF models, and the development of penalty-based, adjoint-consistent variational formulations of these models. We demonstrate the use of these formulations in the simulation of EOF flows in straight and T-shaped microchannels, in conjunction with goal-oriented mesh refinement and adjoint sensitivity analysis. Complex computational models may exhibit uncertain behavior due to various reasons, ranging from uncertainty in experimentally measured model parameters to imperfections in device geometry. The last decade has seen a growing interest in the field of Uncertainty Quantification (UQ), which seeks to determine the effect of input uncertainties on the system QoIs. Monte Carlo methods remain a popular computational approach for UQ due to their ease of use and "embarassingly parallel" nature. However, a major drawback of such methods is their slow convergence rate. The second contribution of this work is the introduction of a new Monte Carlo method which utilizes local sensitivity information to build accurate surrogate models. This new method, called the Local Sensitivity Derivative Enhanced Monte Carlo (LSDEMC) method can converge at a faster rate than plain Monte Carlo, especially for problems with a low to moderate number of uncertain parameters. Adjoint-based sensitivity analysis methods enable the computation of sensitivity derivatives at virtually no extra cost after the forward solve. Thus, the LSDEMC method, in conjuction with adjoint sensitivity derivative techniques can offer a robust and efficient alternative for UQ of complex systems. The efficiency of Monte Carlo methods can be further enhanced by using stratified sampling schemes such as Latin Hypercube Sampling (LHS). However, the non-incremental nature of LHS has been identified as one of the main obstacles in its application to certain classes of complex physical systems. Current incremental LHS strategies restrict the user to at least doubling the size of an existing LHS set to retain the convergence properties of LHS. The third contribution of this research is the development of a new Hierachical LHS algorithm, that creates designs which can be used to perform LHS studies in a more flexibly incremental setting, taking a step towards adaptive LHS methods. / text

A three-dimensional, parallel, anisotropic, block-based, adaptive mesh refinement (AMR) algorithm is proposed and described for the solution of fluid flows on body-fitted, multi-block, hexahedral meshes. Refinement and de-refinement in any grid block computational direction, or combination of directions, allows the mesh to rapidly adapt to anisotropic flow features such as shocks, boundary layers, or flame fronts, common to complex flow physics. Anisotropic refinements and an efficient and highly scalable parallel implementation lead to a potential for significant reduction in computational cost as compared to a more typical isotropic approach. Unstructured root-block topology allows for greater flexibility in the treatment of complex geometries. The AMR algorithm is coupled with an upwind finite-volume scheme for the solution of the Euler equations governing inviscid, compressible, gaseous flow. Steady-state and time varying, three-dimensional, flow problems are investigated for various geometries, including the cubed-sphere mesh.

A three-dimensional, parallel, anisotropic, block-based, adaptive mesh refinement (AMR) algorithm is proposed and described for the solution of fluid flows on body-fitted, multi-block, hexahedral meshes. Refinement and de-refinement in any grid block computational direction, or combination of directions, allows the mesh to rapidly adapt to anisotropic flow features such as shocks, boundary layers, or flame fronts, common to complex flow physics. Anisotropic refinements and an efficient and highly scalable parallel implementation lead to a potential for significant reduction in computational cost as compared to a more typical isotropic approach. Unstructured root-block topology allows for greater flexibility in the treatment of complex geometries. The AMR algorithm is coupled with an upwind finite-volume scheme for the solution of the Euler equations governing inviscid, compressible, gaseous flow. Steady-state and time varying, three-dimensional, flow problems are investigated for various geometries, including the cubed-sphere mesh.

Optimal control problems are often characterized by discontinuities or switchings in the control variables. One way of accurately capturing the irregularities in the solution is to use a high resolution (dense) uniform grid. This requires a large amount of computational resources both in terms of CPU time and memory. Hence, in order to accurately capture any irregularities in the solution using a few computational resources, one can refine the mesh locally in the region close to an irregularity instead of refining the mesh uniformly over the whole domain. Therefore, a novel multiresolution scheme for data compression has been designed which is shown to outperform similar data compression schemes. Specifically, we have shown that the proposed approach results in fewer grid points in the grid compared to a common multiresolution data compression scheme. The validity of the proposed mesh refinement algorithm has been verified by solving several challenging initial-boundary value problems for evolution equations in 1D. The examples have demonstrated the stability and robustness of the proposed algorithm. Next, a direct multiresolution-based approach for solving trajectory optimization problems is developed. The original optimal control problem is transcribed into a nonlinear programming (NLP) problem that is solved using standard NLP codes. The novelty of the proposed approach hinges on the automatic calculation of a suitable, nonuniform grid over which the NLP problem is solved, which tends to increase numerical efficiency and robustness. Control and/or state constraints are handled with ease, and without any additional computational complexity. The proposed algorithm is based on a simple and intuitive method to balance several conflicting objectives, such as accuracy of the solution, convergence, and speed of the computations. The benefits of the proposed algorithm over uniform grid implementations are demonstrated with the help of several nontrivial examples. Furthermore, two sequential multiresolution trajectory optimization algorithms for solving problems with moving targets and/or dynamically changing environments have been developed.

Depuis le début du millénaire, la simulation numérique directe est apparue comme un outil précieux capable d'étudier l’atomisation d’une goutte isolée par un écoulement à grande vitesse. L’atomisation peut être divisée en deux phases distinctes : l'éclatement se produit d'abord sous la forme d'aplatissement de la goutte, formant également des filaments, puis il se poursuit via l'obtention d'une multitude de gouttes de tailles réduites ce qui complète le processus d’atomisation. Les principaux objectifs pour le présent travail étaient donc d’établir un modèle et une méthode numérique capables d’étudier au mieux ces phénomènes. L'atomisation d’une goutte isolée est présentée et est accompagnée d’une comparaison avec l’expérience qui confirme les capacités du modèle et de la méthode à simuler numériquement les différents processus physiques mis en jeu. Des informations essentielles quant aux mécanismes d’atomisation, non exploitables avec l’expérience, sont décrites et l’objectif d’obtenir des gouttes de tailles réduites est atteint. / Only at the beginning of the millennium, direct numerical simulation has emerged as a valuable tool capable of studying the atomization of an isolated droplet by a high-speed flow. The atomization can be divided into two distinct phases: the aerobreakup occurs first in the form of flattening of the droplet, also forming filaments, and then it continues via the obtaining of a multitude of reduced sizes droplets what completes the process of atomization. The main objectives of this work were therefore to establish a model and a numerical method able to study these phenomena as well as possible. The atomization of an isolated droplet is presented and is accompanied by a comparison with the experiment which confirms the capacities of the model and the method to numerically simulate the different physical processes involved. Essential information on atomization mechanisms, which cannot be exploited with experiments, is described and the objective of obtaining droplets of reduced sizes is achieved.