L’objectif de cette thèse est de développer une méthode Galerkine discontinue d’ordre élevé capable de prendre en considération des simulations réalistes liées à la nanophotonique. Au cours des dernières décennies, l’évolution des techniques de lithographie a permis la création de structure géométriques de tailles nanométriques, révélant ainsi une large gamme de phénomènes nouveaux nés de l’interaction lumière-matière à ces échelles. Ces effets apparaissent généralement pour des objets de taille égale ou (très) inférieure à la longueur d’onde du champ incident. Ce travail repose sur le développement et l’implémentation de modèles de dispersion appropriés (principalement pour les métaux), ainsi que sur un large éventail de méthodes computationnelles classiques. Deux développements méthodologiques majeurs sont présentés et étudiés en détails: (i) les éléments courbes, et (ii) l’ordre d’approximation local. Ces études sont accompagnées de plusieurs cas-tests réalistes tirés de la nanophotonique. / The goal of this thesis is to develop a discontinuous Galerkin time-domain method to be able to handle realistic nanophotonics computations. During the last decades, the evolution of lithography techniques allowed the creation of geometrical structures at the nanometer scale, thus unveiling a variety of new phenomena arising from light-matter interactions at such levels. These effects usually occur when the device is of comparable size or (much) smaller than the wavelength of the incident field. This work relies on the development and implementation of appropriate models for dispersive materials (mostly metals), as well as on a large panel of classical computational techniques. Two major methodological developments are presented and studied in details: (i) curvilinear elements, and (ii) local order of approximation. This work is complemented with several physical studies of real-life nanophotonics applications.

L'objectif principal de ce travail est d'améliorer la précision et l'efficacité des modèles LES au moyen des méthodes Galerkine discontinues (DG). Deux thématiques principales ont été étudiées: les stratégies d'adaptation spatiale et les modèles LES pour les méthodes d'ordre élevé.Concernant le premier thème, dans le cadre des méthodes DG la résolution spatiale peut être efficacement adaptée en modifiant localement soit le maillage (adaptation-h) soit le degré polynômial de la solution (adaptation-p). L'adaptation automatique de la résolution nécessite l'estimation des erreurs pour analyser la qualité de la solution locale et les exigences de résolution. L'efficacité de différentes stratégies de la littérature est comparée en effectuant des simulations h- et p-adaptatives.Sur la base de cette étude comparative, des algorithmes statiques et dynamiques p-adaptatifs pour la simulation des écoulements instationnaires sont ensuite développés et analysés. Les simulations numériques réalisées montrent que les algorithmes proposés peuvent réduire le coût de calcul des simulations des écoulements transitoires et statistiquement stationnaires.Un nouvel estimateur d'erreur est ensuite proposé. Il est local, car n'exige que des informations de l'élément et de ses voisins directs, et peut être calculé en cours de simulation pour un coût limité. Il est démontré que l'algorithme statique p-adaptatif basé sur cet estimateur d'erreur peut être utilisé pour améliorer la précision des simulations LES sur des écoulements turbulents statistiquement stationnaires.Concernant le second thème, une nouvelle méthode, consistante avec la discrétisation DG, est développée pour l'analyse a-priori des modèles DG-LES à partir des données DNS. Elle permet d'identifier le transfert d'énergie idéal entre les échelles résolues et non résolues. Cette méthode est appliquée à l'analyse de l'approche VMS (Variational Multiscale). Il est démontré que pour les résolutions fines, l'approche DG-VMS est capable de reproduire le transfert d'énergie idéal. Cependant, pour les résolutions grossières, typique de la LES à nombres de Reynolds élevés, un meilleur accord peut être obtenu en utilisant un modèle mixte Smagorinsky-VMS. / The main goal of this work is to improve the accuracy and computational efficiency of Large Eddy Simulations (LES) by means of discontinuous Galerkin (DG) methods. To this end, two main research topics have been investigated: resolution adaptation strategies and LES models for high-order methods.As regards the first topic, in the framework of DG methods the spatial resolution can be efficiently adapted by modifying either the local mesh size (h-adaptation) or the degree of the polynomial representation of the solution (p-adaptation).The automatic resolution adaptation requires the definition of an error estimation strategy to analyse the local solution quality and resolution requirements.The efficiency of several strategies derived from the literature are compared by performing p- and h-adaptive simulations. Based on this comparative study a suitable error indicator for the adaptive scale-resolving simulations is selected.Both static and dynamic p-adaptive algorithms for the simulation of unsteady flows are then developed and analysed. It is demonstrated by numerical simulations that the proposed algorithms can provide a reduction of the computational cost for the simulation of both transient and statistically steady flows.A novel error estimation strategy is then introduced. It is local, requiring only information from the element and direct neighbours, and can be computed at run-time with limited overhead. It is shown that the static p-adaptive algorithm based on this error estimator can be employed to improve the accuracy for LES of statistically steady turbulent flows.As regards the second topic, a novel framework consistent with the DG discretization is developed for the a-priori analysis of DG-LES models from DNS databases. It allows to identify the ideal energy transfer mechanism between resolved and unresolved scales.This approach is applied for the analysis of the DG Variational Multiscale (VMS) approach. It is shown that, for fine resolutions, the DG-VMS approach is able to replicate the ideal energy transfer mechanism.However, for coarse resolutions, typical of LES at high Reynolds numbers, a more accurate agreement is obtained by a mixed Smagorinsky-VMS model.

We present the analysis for the higher order continuous Galerkin−Petrov (cGP) time discretization schemes in combination with the one-level local projection stabilization in space applied to time-dependent convection-diffusion-reaction problems. Optimal a priori error estimates will be proved. Numerical studies support the theoretical results. Furthermore, a numerical comparison between continuous Galerkin−Petrov and discontinuous Galerkin time discretization schemes will be given.

A new combination of techniques for the numerical computation of incompressible flow is presented. The temporal discretization bases on the discontinuous Galerkin-formulation. Both constant (DG(0)) and linear approximation (DG(1)) in time is discussed. In case of DG(1) an iterative method reduces the problem to a sequence of problems each with the dimension of the DG(0) approach. For the semi-discrete problems a Galerkin/least-squares method is applied. Furthermore a non-overlapping domain decomposition method can be used for a parallelized computation. The main advantage of this approach is the low amount of information which must be exchanged between the subdomains. Due to the slight bandwidth a workstation-cluster is a suitable platform. Otherwise this method is efficient only for a small number of subdomains. The interface condition is of the Robin/Robin-type and for the Navier-Stokes equation a formulation introducing a further pressure interface condition is used. Additionally a suggestion for the implementation of the standard k-epsilon turbulence model with special wall function is done in this context. All the features mentioned above are implemented in a code called ParallelNS. Using this code the verification of this approach was done on a large number of examples ranging from simple advection-diffusion problems to turbulent convection in a closed cavity.

In the present work we deal with the stability of the space-time discontinuous Galerkin method applied to non-stationary, nonlinear convection - diffusion problems. Discontinuous Galerkin method is a very efficient tool for numerical solution of partial differential equations, combines the advantages of the finite element method (polynomial approximations of high order of accuracy) and the finite volume method (discontinuous approximations). After the formulation of the continuous problem its discretization in space and time is described. In the formulation of the discontinuous Galerkin method the non-symmetric, symmetric and incomplete version of discretization of the diffusion term is used and there are added penalty terms to the scheme also. In the third chapter are estimated individual terms of the previously derived approximate solution by special norms. Using the concept of discrete characteristic functions and the discrete Gronwall lemma, it is shown that the analyzed scheme is unconditionally stable. At the end, in the fourth chapter, are given some numerical experiments, which verify theoretical results from the previous chapter.

This thesis is concerned with analysis and implementation of Time discontinuous Galerkin method. Important part of it is constructing of algorithm for solving nonlinear convection-diffusion equations, which combines Discontinuous Galerkin method in space (DGFEM) with Time discontinuous Galerkin method (TDG). Nonlinearity of the problem is overcome by damped Newton-like method. This approach provides easy adaptivity manipulation as well as high order approximation with respect to both space and time variables. The second part of the thesis is focused on Time discontinuous Galerkin method, applied to ordinary differential equations. It is shown that the solution of Time discontinuous Galerkin equals the solution obtained by Radau IIA implicit Runge-Kutta method in the roots of right Radau Quadrature. By virtue of this relation, error estimates of the order higher by one than the standard order can be obtained in these points. Furthermore, almost two times higher order can be achieved in the endpoints of the intervals of time discretization. Finally, the thesis deals with the phenomenon of stiffness, which may dramatically decrease the order of the applied method. The theoretical results are verified by numerical experiments. Powered by TCPDF (www.tcpdf.org)

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This work entails studying unfitted finite element discretizations for convection-diffusion equations in domains that evolve in time. In particular, these partial differential equations model the evolution of the concentration of soluble surfactants in bulk-interface domains. The work in this thesis docuses on developing numerical methods which conserve the modeled physical quantities. In this work, we propose cut finite element discretizations based on the Discontinuous Galerkin framework which are both locally and globally conservative. Local conservation is achieved on so-called macro elements, and we investigate macro element partitioning of the mesh for both stationary and time-dependent domains. Additionally, we develop globally conservative methods for time-dependent problems. We analyze the proposed methods by studying the convergence of the L2-error with respect to mesh size, condition numbers of the associated linear system matrices, and the conservation error. In numerical experiments for time-dependent problems, we show that the proposed methods have optimal convergence and that the developed macro element stabilization for time-dependent problems leads to increased accuracy while retaining stable condition numbers. Moreover, the measured conservation errors verify the global conservation of the proposed methods. / Detta arbete undersöker diskretiseringar av partiella differentialekvationer i tidsberoende domäner där beräkningsnätet inte behöver anpassas till domänens rörelse. I synnerhet betraktar vi partiella differentalekvationer som modellerar koncentrationen av lösliga ytaktiva ämnen, och skurna finita elementmetoder baserade på den Diskontinuerliga Galerkinmetoden som bevarar de modellerade fysikaliska storheterna. I detta arbete föreslås diskretiseringar som är både lokalt och globalt konservativa. Lokal konservering uppnås i så kallade makroelement, och vi undersöker makroelementpartitionering för både stationära och tidsberoende domäner. Även globalt konservativa metoder utvecklas för tidsberoende problem. De föreslagna metoderna analyseras med hjälp av numeriska exempel. Vi studerar konvergensen av L2-felet med avseende på nätstorlek, konditionstalen för de linjära systemmatriserna samt konserveringsfelet. Metoderna uppvisar optimal konvergens och makroelementstabilisering som utvecklas för tidsberoende problem leder till ökad noggrannhet, samtidigt som konditionstalen förblir stabila. Dessutom veritifierar de uppmättta konserveringsfelen den globala konserveringen hos de föreslagna metoderna.

This work is concerned with the theoretical analysis of the space-time discontinuous Galerkin method applied to the numerical solution of nonstationary nonlinear convection-diffusion problem in a time- dependent domain. At first, the problem is reformulated by the use of the arbitrary Lagrangian-Eulerian (ALE) method, which replaces the classical partial time derivative by the so-called ALE derivative and an additional convection term. Then the problem is discretized with the use of the ALE space-time discontinuous Galerkin method. On the basis of a technical analysis we obtain an unconditional stability of this method. An important step in the analysis is the generalization of a discrete characteristic function associated with the approximate solutionin a time-dependentdomainand the derivationof its properties. Further we derive an a priori error estimate of the method in terms of the interpolation error, as well as in terms of h and tau. Finally, some practical applications of the ALE space-time discontinuos Galerkin method in a time-dependent domain are given. We are concerned with the numerical solution of a nonlinear elasticity benchmark problem and moreover with the interaction of compressible viscous flow with elastic structures. The main attention is paid to the modeling of flow induced vocal fold...

Diese Arbeit befasst sich mit der theoretischen Beschreibung nichtlinearer optischer Phänomene in Hinblick auf das (numerische) unstetige Galerkin-Zeitraumverfahren. Insbesondere werden zwei Materialmodelle behandelt: das hydrodynamische Modell für Metalle und das Modell für Raman-aktive Materialien. Im ersten Teil der Arbeit wird das hydordynamische Modell für Metalle unter Verwendung eines störungstheoretischen Ansatzes behandelt. Insbesondere wird dieser Ansatz genutzt, um die nichtlinearen optischen Effekte, Erzeugung zweiter Harmonischer und Summenfrequenzerzeugung, mit Hilfe des unstetigen Galerkin-Verfahrens zu studieren. In diesem Zusammenhang wird demonstriert, wie das optische Signal zweiter Ordnung von Nanoantennen optimiert werden kann. Hierzu wird ein hier erarbeitetes Schema für die Abstimmung des eingestrahten Lichtes angewandt. Zudem führt eine intelligente Wahl des Antennendesigns zu einem optimierten Signal. Im zweiten Teil dieser Arbeit wird das Modell für Raman-aktive Dielektrika behandelt. Genauer wird die nichtlineare Antwort dritter Ordnung für stimulierte Raman-Streuung hergeleitet. Diese wird dazu genutzt, um ein System aus Hilfsdifferentialgleichungen für das unstetige Galerkin-Verfahren zu konstruieren. Die Ergebnisse des erweiterten numerischen Verfahrens werden im Anschluss gezeigt und diskutiert. / This thesis is concerned with the theoretical description of nonlinear optical phenomena with regards to the (numerical) discontinuous Galerkin time-domain (DGTD) method. It deals with two different material models: the hydrodynamic model for metals and the model for Raman-active dielectrics. In the first part, we review the hydrodynamic model for metals, where we apply a perturbative approach to the model. We use this approach to calculate the second-order nonlinear optical effects of second-harmonic generation and sum-frequency generation using the DGTD method. In this context, we will see how to optimize the second-order response of plasmonic nanoantennas by applying a deliberate tuning scheme for the optical excitations as well as by choosing an intelligent nanoantenna design. In the second part, we examine the material model for Raman-active dielectrics. In particular, we see how to derive the third-order nonlinear response by which one can describe the process of stimulated Raman scattering. We show how to incorporate this third-order response into the DGTD scheme yielding a novel set of auxiliary differential equations. Finally, we demonstrate the workings of the modified numerical scheme.