Durante as últimas três décadas, a epitaxia por feixe molecular se estabeleceu como uma técnica excelente para o crescimento de camadas semicondutoras de alta qualidade, tanto para a construção de dispositivos quanto para a pesquisa básica. No entanto ainda não existe um método universalmente aceito para obter-se camadas dopadas do tipo p nesta técnica de crescimento. Neste trabalho, estudamos, otimizamos e comparamos três diferentes métodos para a dopagem de camadas de GaAs do tipo p. Dois desses métodos exploraram o caráter anfotérico do silício em substratos de GaAs(311)A (através da mudança das condições de crescimento) e GaAs(100) (aplicando uma nova técnica chamada epitaxia assistida por gotas (droplets) de gálio). O terceiro método foi baseado no uso do carbono, cujas propriedades como dopante do tipo p são bem conhecidas em outras técnicas de crescimento epitaxial, mas pouco estudadas na epitaxia por feixe molecular. Para verificar a qualidade das camadas dopadas obtidas, crescemos estruturas como poços quânticos parabólicos com alta mobilidade de buracos e dispositivos optoeletrônicos como diodos emissores de luz e laseres. / During the last three decades, molecular-beam epitaxy has emerged as an excellent technique for the growth of high-quality semiconductor layers both for device construction and for basic research. In spite of this fact, there is still a lack of a universally accepted method to obtain p-type doped layers by this growth technique. In this work, we studied, optimized and compared three different methods to get p-type GaAs layers. Two of these methods exploited the amphoteric behavior of silicon atoms both on GaAs(311)A (by changing the growth conditions) and on GaAs(100) (by employing a new growth mode called droplet-assisted epitaxy) substrates. The third method was based on the use of carbon, whose properties as a p-type dopant in GaAs layers are well known in other epitaxial techniques but scarcely investigated in molecular-beam epitaxy. In order to check the quality of the doped layers, we grew structures like high hole-mobility parabolic quantum wells and optoelectronic devices like light-emitting diodes and lasers.

In dieser Arbeit untersuchen wir zwei Modelle, die das Laden und Entladen einer Lithium-Ionen Batterie beschreiben. Beide Modelle spiegeln eine Hysterese in dem Spannungs-Ladungs-Verlauf wider. Wir skizzieren den Modellierungsprozess von einem diskreten vielteilchen Modell sowie einem kontinuierlichen vielteilchen Modell. Das erste führt zu einer axiomatischen Beschreibung der Evolution makroskopischer Größen, während das zweite in eine nichtlineare Fokker-Planck Gleichung mündet. Wir zeigen die Existenz und Eindeutigkeit von Lösungen der nichtlinearen Fokker-Planck Gleichung und untersuchen deren qualitative Eigenschaften. Wir benutzen Interpolationsräume und Halbgruppen sektorieller Operatoren um den semilinearen Charakter der partiellen Differentialgleichung auszunutzen. Um globale Existenz zu erhalten, schätzen wir die Dissipation einer mit dem Modell verknüpften Energie ab. Diese Energie ist verwandt mit der L-log-L Norm, welche wir mithilfe einer Gagliardo-Nirenberg Ungleichung zu der L^2 Norm in Verbindung setzen können. Die notwendigen und hinreichenden Bedingungen zur globalen Existenz von Lösungen sind aus physikalischer Sicht plausibel. Der Ladezustand der Batterie muss innerhalb der Werte Voll und Leer sein. In numerischen Experimenten untersuchen wir das qualitative Verhalten von Lösungen. Wir zeigen die Konvergenz der numerischen Lösungen zu den exakten Lösungen. Dafür nutzen wir ähnliche Techniken wie bei der lokalen Existenztheorie. Wir beobachten die Tendenz von Lösungen sich um bestimmte Punkte zu konzentrieren. Unterstützt durch die formale Asymptotik zeigt dies für eine bestimmte Wahl von Parameter-Skalierungen, dass Lösungen gegen Dirac-Maße konvergieren. In diesem Grenzverhalten wird das System durch die Evolution von makroskopischen Größen beschrieben, welche wir auch in dem diskreten vielteilchen Modell wiederfinden. In diesen makroskopischen Größen lässt sich eine Hysterese beobachten. / We discuss two models which describe the charging and discharging of a lithium-ion battery and especially the hysteretical behaviour therein. We give an overview on the modelling process for a discrete many particle model and a continuous many particle model. The former results in an axiomatic description of macroscopic quantities while the latter gives a nonlinear Fokker-Planck equation. The nonlinear Fokker-Planck equation is analysed with respect to existence and uniqueness of solutions as well as qualitative behaviour of solutions. The nonlinearity in this partial differential equation stems from a coefficient which depends on the solution first non-local and second in a higher order. We use interpolation spaces and semigroups generated from sectorial operators to show the existence and uniqueness of solutions locally in time. The global existence in time relies on estimates for the dissipation of an energy. The suitable energy is related to the L-log-L norm and so a Gagliardo-Nirenberg inequality is needed to connect this back to L^2 estimates. It turns out that the conditions for global in time existence of solutions are physical reasonable. One needs that the loading state of the battery shall stay between totally empty and totally full. In numerical experiments we investigate the qualitative behaviour of solutions to the nonlinear Fokker-Planck equation. We are able to show convergence of the numerical solutions to the exact solution. We observe that solutions tend to concentrate at certain points. Supported by results from formal asymptotic expansions, we document the limiting behaviour in a certain scaling of the appearing parameters, which is the formation of Dirac measures. The evolution of the global quantities, which we observe in numerical simulations, is the same as what results from the discrete many particle model and one observes hysteretic behaviour in macroscopic quantities.

Konforme Potenzen des Dirac Operators einer semi Riemannschen Spin-Mannigfaltigkeit werden untersucht. Wir präsentieren einen neuen Beweis, basierend auf dem Traktor Kalkül, für die Existenz von konformen ungeraden Potenzen des Dirac Operators auf semi Riemannschen Spin-Mannigfaltigkeiten. Desweiteren konstruieren wir eine neue Familie von konform kovarianten linearen Differentialoperatoren auf dem standard spin Traktor Bündel. Weiterhin verallgemeinern wir den Existenzbeweis für konforme ungerade Potenzen des Dirac Operators auf semi Riemannsche Spin-Mannigfaltigkeiten. Da die Existenzbeweise konstruktive sind, erhalten wir explizite Formeln für die konforme dritte und fünfte Potenz des Dirac Operators. Basierend auf den expliziten Formeln zeigen wir, dass die konforme dritte und fünfte Potenz des Dirac Operators formal selbstadjungiert (anti selbstadjungiert) bezüglich des L2-Skalarproduktes auf dem Spinorbündel ist. Abschliessend präsentieren wir neue Strukturen der konformen ersten, dritten und fünften Potenz des Dirac Operators: Es existieren lineare Differentialoperatoren auf dem Spinorbündel der Ordnung kleiner gleich eins, so dass die konforme erste, dritte und fünfte Potenz des Dirac Operators ein Polynom in jenen Operatoren ist. / Conformal powers of the Dirac operator on semi Riemannian spin manifolds are investigated. We give a new proof of the existence of conformal odd powers of the Dirac operator on semi Riemannian spin manifolds using the tractor machinery. We will also present a new family of conformally covariant linear differential operators on the standard spin tractor bundle. Furthermore, we generalize the known existence proof of conformal power of the Dirac operator on Riemannian spin manifolds to semi Riemannian spin manifolds. Both proofs concering the existence of conformal odd powers of the Dirac operator are constructive, hence we also derive an explicit formula for a conformal third- and fifth power of the Dirac operator. Due to explicit formulas, we show that the conformal third- and fifth power of the Dirac operator is formally self-adjoint (anti self-adjoint), with respect to the L2-scalar product on the spinor bundle. Finally, we present a new structure of the conformal first-, third- and fifth power of the Dirac operator: There exist linear differential operators on the spinor bundle of order less or equal one, such that the conformal first-, third- and fifth power of the Dirac operator is a polynomial in these operators.

In dieser Dissertation werden Cartan-Ränder von CR-Mannigfaltigkeiten und ihren Fefferman-Räumen besprochen. Der Fefferman-Raum einer strikt pseudo-konvexen CR-Mannigfaltigkeit ist als das Bündel aller reellen Strahlen im kanonischen, komplexen Linienbündel definiert. Eine andere Definition nutzt die Cartan-Geometrie und führt zu einer starken Beziehung zwischen den Cartan-Geometrien der CR-Mannigfaltigkeit und des zugehörigen Fefferman-Raumes. Allerdings wird hier die Existenz einer gewissen Wurzel des antikanonischen, komplexen Linienbündels, dessen Existenz nur lokal gesichert ist, vorausgesetzt. Für Randkonstruktionen benötigen wir jedoch eine globale Konstruktion des Fefferman-Raumes. Dennoch können lokale Resultate zum Fefferman-Raum von einer Konstruktion zur anderen übertragen werden können, da konforme Überlagerungen von beiden vorliegen. Der Cartan-Rand einer Mannigfaltigkeit wird mithilfe der zugehörigen Cartan-Geometrie konstruiert, welche eine globale Basis und damit auch eine Riemannsche Metrik auf dem Cartan-Bündel definiert, welches per Cauchy-Vervollständigung abgeschlossen wird. Division durch die Strukturgruppe ergibt den Cartan-Rand der Mannigfaltigkeit. Der Cartan-Rand ist eine Verallgemeinerung des Cauchy-Randes, da beide im Riemannschen übereinstimmen. Allgemein ist der Cartan-Rand nicht unbedingt Hausdorffsch, was nicht wirklich überrascht, sind doch Rand-Phänomene "irgendwie singulär". Wir stellen fest, dass für CR-Mannigfaltigkeit und ihre Fefferman-Räume die Projektion des Cartan-Randes des Fefferman-Raumes den Cartan-Rand der CR-Mannigfaltigkeit enthält. Schließlich betrachten wir die Heisenberg-Gruppe, eines der grundlegenden Beispiele für CR-Mannigfaltigkeiten. Sie ist flach aber - anders als der homogene Raum - nicht kompakt. Wir finden, dass der Cartan-Rand der Heisenberg-Gruppe ein einzelner Punkt und der Cartan-Rand des zugehörigen Fefferman-Raumes eine nicht-ausgeartete Faser über diesem ist. / The aim of this thesis is to discuss the Cartan boundaries of CR manifolds and their Fefferman spaces. The Fefferman space of a strictly pseudo-convex CR manifold is defined as the bundle of all real rays in the canonical complex line bundle. Another way of defining the Fefferman space of a CR manifold uses the tools of Cartan geometry and leads to a strong relationship between the Cartan geometries of a CR manifold and the corresponding Fefferman space. However here the existence of a certain root of the anticanonical complex line bundle is requested which can solely be guarantied locally. As we are interested in boundaries we need a global construction of the Fefferman space. Still we find that local results on the Fefferman space can be transferred from one construction to the other since we have conformal coverings of both. The Cartan boundary of a manifold is constructed with the help of the corresponding Cartan geometry, which defines a global frame and hence a Riemannian metric on the Cartan bundle which can be completed by Cauchy completion. Division by the structure group gives the Cartan boundary of the manifold. The Cartan boundary is a generalization of the Cauchy boundary since both coincide in the Riemannian case. In general the Cartan boundary is not necessarily Hausdorff, which is not really surprising since boundary phenomena are somehow ``singular''''. For CR manifolds and their Fefferman spaces we especially prove that the projection of the Cartan boundary of the Fefferman space contains the Cartan boundary of the CR manifold. We finally discuss the Heisenberg group, one of the basic examples of CR manifolds. It is flat but - contrary to the homogeneous space - not compact. We find that the Cartan boundary of the Heisenberg group is a single point and the Cartan boundary of the corresponding Fefferman space is a non degenerate fibre over that point.

Ausgehend von einem thermodynamisch konsistenten Modell von Dreyer und Duderstadt für Tropfenbildung in Galliumarsenid-Kristallen, das Oberflächenspannung und Spannungen im Kristall berücksichtigt, stellen wir zwei mathematische Modelle zur Evolution der Größe flüssiger Tropfen in Kristallen auf. Das erste Modell behandelt das Regime diffusionskontrollierter Interface-Bewegung, während das zweite Modell das Regime Interface-kontrollierter Bewegung des Interface behandelt. Unsere Modellierung berücksichtigt die Erhaltung von Masse und Substanz. Diese Modelle verallgemeinern das wohlbekannte Mullins-Sekerka-Modell für die Ostwald-Reifung. Wir konzentrieren uns auf arsenreiche kugelförmige Tropfen in einem Galliumarsenid-Kristall. Tropfen können mit der Zeit schrumpfen bzw. wachsen, die Tropfenmittelpunkte sind jedoch fixiert. Die Flüssigkeit wird als homogen im Raum angenommen. Aufgrund verschiedener Skalen für typische Distanzen zwischen Tropfen und typischen Radien der flüssigen Tropfen können wir formal so genannte Mean-Field-Modelle herleiten. Für ein Modell im diffusionskontrollierten Regime beweisen wir den Grenzübergang mit Homogenisierungstechniken unter plausiblen Annahmen. Diese Mean-Field-Modelle verallgemeinern das Lifshitz-Slyozov-Wagner-Modell, welches rigoros aus dem Mullins-Sekerka-Modell hergeleitet werden kann, siehe Niethammer et al., und gut verstanden ist. Mean-Field-Modelle beschreiben die wichtigsten Eigenschaften unseres Systems und sind gut für Numerik und für weitere Analysis geeignet. Wir bestimmen mögliche Gleichgewichte und diskutieren deren Stabilität. Numerische Resultate legen nahe, wann welches der beiden Regimes gut zur experimentellen Situation passen könnte. / Based on a thermodynamically consistent model for precipitation in gallium arsenide crystals including surface tension and bulk stresses by Dreyer and Duderstadt, we propose two different mathematical models to describe the size evolution of liquid droplets in a crystalline solid. The first model treats the diffusion-controlled regime of interface motion, while the second model is concerned with the interface-controlled regime of interface motion. Our models take care of conservation of mass and substance. These models generalise the well-known Mullins-Sekerka model for Ostwald ripening. We concentrate on arsenic-rich liquid spherical droplets in a gallium arsenide crystal. Droplets can shrink or grow with time but the centres of droplets remain fixed. The liquid is assumed to be homogeneous in space. Due to different scales for typical distances between droplets and typical radii of liquid droplets we can derive formally so-called mean field models. For a model in the diffusion-controlled regime we prove this limit by homogenisation techniques under plausible assumptions. These mean field models generalise the Lifshitz-Slyozov-Wagner model, which can be derived from the Mullins-Sekerka model rigorously, see Niethammer et al., and is well-understood. Mean field models capture the main properties of our system and are well adapted for numerics and further analysis. We determine possible equilibria and discuss their stability. Numerical evidence suggests in which case which one of the two regimes might be appropriate to the experimental situation.

Os processos oxidativos avançados (POAs) têm sido apontados como alternativa eficiente para a degradação de poluentes recalcitrantes. Entre os POAs, a fotocatálise utilizando luz solar vem sendo muito estudada tendo em vista sua aplicação no tratamento de efluentes aquosos contendo pesticidas. No presente trabalho, estudou-se a degradação do herbicida amicarbazona (AMZ) por meio do processo TiO2/UV em um reator com coletores parabólicos compostos irradiados por luz solar. Os experimentos foram realizados segundo uma matriz Doehlert para o estudo da influência da concentração inicial de AMZ (20-100 mg L-1), da concentração de catalisador (0,1-1 g L-1) e do número de tubos expostos à luz solar (1-9). Amostras retiradas ao longo do tempo foram analisadas quanto às concentrações de AMZ e de carbono orgânico total (TOC). As medidas radiométricas realizadas indicaram que a radiação UVB-UVA correspondeu em média a ca. 4% da radiação solar total incidente entre 310-2800 nm; a actinometria de ferrioxalato indicou fluxo fotônico médio de 3,58×10-5 mol fótons m-2 s-1 para dias ensolarados típicos. O processo TiO2/UV mostrou-se eficiente para degradação do pesticida, que foi totalmente removido antes de 45 minutos de tratamento, para as seguintes condições: [AMZ]0=21,3 mg L-1; [TiO2]=0,5 g L-1; e 7 tubos. Contudo, nesse caso houve apenas ca. 24% de mineralização e na grande maioria dos casos os valores de TOC permaneceram praticamente constantes, o que indica a formação de sub-produtos recalcitrantes, cuja toxicidade e biodegradabilidade devem ser caracterizadas. A análise estatística dos resultados confirma os efeitos importantes da concentração inicial do pesticida e do número de tubos expostos (volume irradiado), cujo aumento permite compensar a menor incidência de radiação solar. Em alguns experimentos os resultados sugeriram que a degradação da AMZ foi favorecida pela maior concentração de TiO2. Na grande maioria dos casos os valores de ACM foram inferiores a 50 m2 kg-1, o que torna este parâmetro interessante para aumento de escala de processos fotocatalíticos irradiados por luz solar empregados no tratamento de efluentes aquosos contendo amicarbazona. / Advanced oxidative processes (AOP) have been considered as an efficient alternative for the degradation of recalcitrant pollutants. Photocatalysis using solar radiation has been studied for the treatment of wastewaters containing pesticides. In this work, the degradation of the herbicide amicarbazone (AMZ) by the TiO2/UV process was studied in a reactor equipped with compound parabolic collectors irradiated by solar light. The experiments were carried out according to a Doehlert matrix to study the effects AMZ initial concentration (20-100 mg L-1), catalyst concentration (0.1-1 g L-1), and number of tubes exposed to solar light (1-9). Samples were analyzed for AMZ and total organic carbon (TOC) concentrations. Radiometric measurements indicated that UVB-UVA radiation corresponded in average to about 4% of the solar radiation between 310-2800 nm; ferrioxalate actinometry resulted in an average photonic flux of 3.58×10-5 mol fótons m-2 s-1 for typical sunny days. The TiO2/UV process showed to be efficient for the degradation of the pesticide, which was completely removed before 45 minutes of treatment, for the following conditions: [AMZ]0=21.3 mg L-1; [TiO2]=0.5 g L-1; and 7 tubes. However, in this case only ca. 24% of mineralization was achieved, and in most cases TOC values remained practically constant, indicating the formation of recalcitrant by-products whose toxicity and biodegradility should be characterized. Statistical analysis of the results confirmed important effects of pesticide initial concentration and number of tubes exposed (irradiated volume), whose increase enables to compensate the lower incidence of solar radiation. Some experimental results suggested that AMZ degradation was favored by higher TiO2 concentrations. In most cases the values of ACM were lower than 50 m2 kg-1, in such a way that this parameter is interesting for scale-up of solar irradiated photocalytic processes used in the treatment of amicarbazone-containing wastewaters.

Vários modelos computacionais que implementam o transporte de soluto em meio poroso saturado surgem constantemente em publicações científicas devido à suma importância dada à compreensão e previsão do transporte de constituintes dissolvidos em água subterrânea. As soluções numéricas obtidas por esquemas computacionais não estão imunes aos erros de discretização. No entanto, a confiabilidade nos resultados obtidos das complexas operações provenientes da dinâmica de fluidos computacional pode ser aumentada através de estimadores de erro a posteriori que indicam a precisão da solução numérica de um modelo matemático que simula o fenômeno físico de interesse. Neste trabalho é apresentado um estimador residual para a equação parabólica que descreve os fenômenos de advecção-dispersão-reação (ADR) em meio poroso saturado, considerando o transporte em regime de pequena advecção. A solução numérica da equação ADR é obtida pelo método dos elementos finitos que emprega termos upwind para minimizar as inconvenientes oscilações espúrias. A implementação do código computacional para obter essa solução numérica e o seu correspondente erro a posteriori, é feita em linguagem JAVA na plataforma Eclipse seguindo o paradigma da Programação Orientada a Objetos (POO). A solução numérica da equação elíptica do fluxo subterrâneo e o seu estimador de erro com características de recuperação do gradiente, o estimador ZZ, também são implementados no código JAVA. Assim, a solução da equação do transporte é obtida em função da reusabilidade POO prevista na implementação da equação do fluxo. A comparação da solução numérica do modelo ADR 2D com a correspondente solução analítica disponível na literatura, demonstra que o estimador residual apresenta excelentes índices de eficiência. Os resultados numéricos obtidos mostraram que o estimador residual encontra-se limitado inferior e superiormente pelo erro real da solução em malha grosseira. O estimador ZZ mostrou-se inadequado para a análise do erro de aproximação das equações ADR. Os exemplos selecionados para verificação e aplicação do estimador residual abrangem, em diferentes escalas, modelos que descrevem reação de primeira ordem e modelos com fenômenos de sorção e retardamento na migração do contaminante em meio poroso saturado. Em conseqüência, o estimador residual proposto provou ser computável, eficiente e robusto no sentido de abranger uma grande variedade das aplicações dos fenômenos de transporte de contaminantes em meio poroso saturado e regime de pequena advecção. / Several computational models that implement the solute migration in saturated porous media constantly appear in scientific publications due to the great importance given to the understanding and forecast of the solute transport in groundwater. The numerical solutions obtained by computational schemes are not immune to errors related to the discretization process. However, the reliability of the results obtained by the complex operations of the computational fluids dynamics can be enhanced by a posteriori error estimates that indicate the accuracy of the numerical solution. In this work a residual error estimator is presented for the parabolic equation that describes the advection-dispersion-reaction phenomena (ADR) in saturated porous media, considering the transport in small advection regime. The numerical solution of the ADR equation is obtained by the finite element method using upwind terms to minimize the spurious oscillations. The computational code and the correspondent a posteriori error estimates are implemented in Java language following the Object Oriented Programming (OOP) paradigm in Eclipse platform. The numerical solution of the elliptic groundwater flow equation and the respective error estimates with gradient recovery characteristic, the ZZ-estimator, are also implemented in the JAVA code. The solution of the transport equation is obtained as a consequence of the OOP reusability intended in the implementation of the flow equation. The numerical solution of the ADR 2D simulation compared to the analytical solution available in the literature, demonstrate the excellent effectivity index presented by the residual error estimator. The obtained results indicate that the residual error estimator is lower and upper bounded by a solution in coarse mesh. The ZZ-estimator showed to be inadequate for the error analysis of the ADR equations. The examples selected for validation and application of the residual estimator include, in distinct scales, models that describe reaction of first order and models with sorption and retardation phenomena in the pollutant migration in saturated porous media. Therefore, the proposed residual error estimator proved to be computable, efficient and robust in the sense of solving a great variety of applications of transport phenomena in saturated porous media at small advection regime.

Neste trabalho, apresentamos o resultado de nossas investigações em amostras de poços quânticos parabólicos (PQW) de AlGaAs crescidas em substratos de GaAs por MBE (Molecular Beam Epitaxy). Nossos estudos se concentram nas implicações da variação do fator g de Landé ao longo da estrutura dos PQW, a qual ocorre em virtude da dependência dessa grandeza com respeito ao conteúdo de Al na liga AlGaAs. Essas implicações são analisadas através de medidas de transporte eletrônico (medidas de Hall e do efeito Shubnikov-de Haas). As medidas de Subnikov-de Haas a temperaturas da ordem de dezenas a centenas de milikelvin com variação do ângulo de inclinação se mostram um eficiente método para a determinação do fator g. Distinguimos não só o fator g determinado pelas propriedades da liga, como também uma contribuição oriunda de efeitos de muitos corpos (contribuição de troca). Por outro lado, as medidas de Hall nos revelam um comportamento anômalo, que mostramos não ter origem no conhecido "efeito Hall anômalo" presente em materiais ferromagnéticos, nem em efeitos de ocupação de múltiplas sub-bandas. Atribuímos o fenômeno a um efeito "válvula de spin", conseqüente da variação espacial do fator g. Nossas observações nos permitem a idealização de um transistor "válvula de spin", prescindindo do emprego de materiais magnéticos. / We present the results of our investigations concerning MBE grown AlGaAs/GaAs parabolic quantum well (PQW) samples. We focused on the variation of the Landé g factor along the structure of the PQWs, which occur as a consquence of its dependence on the Al content on the alloy AlGaAs. The implications are studied by Hall and Shubnikov-de Haas measurements. Shubnikov-de Haas measurements at temperatures of the order of tenths to hundreds of milikelvin with variation of the tilt angle are shown to be an efficient method for the determination of the g factor. We could distinguish not only the alloy g factor, but its many body contribution (exchange contribution). On the other hand, Hall measurements exhibit an unusual behavior, which we prooved it has no relation neither to the well known "anomalous Hall effect", a characteristic of ferromagnetic materials, nor to a multi subband occupation effect. We atribute such behavior to a "spin valve effect", caused by the spatial variation of the g factor. Our observations allow us to idealize a "spin valve" transistor, without any ferromagnetic material in its structure.

La propagation à longue distance est un problème majeur dans les télécommunications, la navigation et la surveillance. L'objectif de cette thèse est de développer une méthode rapide pour simuler la propagation des ondes dans une atmosphère en 2D et 3D. Dans ce travail, deux contributions principales vers cet objectif sont obtenues. Tout d'abord, des méthodes auto-cohérentes,c'est-à-dire basées sur une théorie discrète de l'électromagnétisme, sont développées en 2D et 3D. Ensuite, une méthode rapide 2D basée sur les ondelettes est proposée. Pour simuler la propagation d'ondes électromagnétiques dans une atmosphère 2D, la méthode split-step Fourier (SSF) est largement utilisée. Le calcul est effectué itérativement en distances en tenant compte d'une réfractivité variable, du relief et des caractéristiques du sol. À chaque pas, le signal est transformé du domaine spatial au domaine spectral. La méthode des écrans de phase est appliquée pour modéliser les effets de réfraction. D'autre part, pour modéliser un sol impédant, la transformée mixte de Fourier discrète (SSF-DMFT) est utilisée. Le concept de la théorie électromagnétique auto-cohérente implique que l'utilisation d'équations de Maxwell discrètes pour la simulation numérique évite les solutions parasites. Dans la méthode couramment utilisée SSF-DMFT, la transformée spectrale est basée sur la condition aux limites d'impédance discrète, alors que le propagateur provient de l'équation continue. Pour pallier cette incohérence, une méthode auto-cohérente est proposée, notée la DSSF-DMFT. La formulation est dérivée des équations discrètes pour obtenir l'auto-cohérence. Des tests numériques montrent que SSF-DMFT présente des oscillations parasites dans certaines conditions de simulation, tandis que DSSF-DMFT reste précis. En effet, l'auto-cohérence empêche certaines instabilités numériques. Pour simuler la propagation dans des environnements en 3D, les méthodes précédentes doivent être étendues en 3D. Tout d'abord, la 3D-SSF est présentée comme une extension naturelle de la SSF. Ensuite, la 3D-DSSF est dérivée d'équations discrètes. Pour considérer un sol impédant, la 3D-DSSF-DMFT est développée conduisant à de nouvelles expressions pour les propagateurs. Ces méthodes sont testées dans plusieurs configurations incluant un profil de réfractivité extrait de mesures. Les résultats montrent une grande précision et une capacité à prendre en compte les effets latéraux. Cependant, pour la propagation dans de grand domaines, les ressources nécessaires en temps et en mémoire deviennent la préoccupation principale. Pour alléger la charge de calcul, une méthode split-step en ondelettes (SSW) est proposée en 2D comme une méthode alternative à SSF. Elle est basée sur la transformée rapide en ondelettes dont la complexité est faible et qui permet de compresser les champs. La propagation est réalisée à partir d'une combinaison linéaire d'ondelettes propagées individuellement. La compression est appliquée pour augmenter l'efficacité. Afin de considérer la réflexion sur le sol, une nouvelle méthode de source image locale dédiée à la propagation des ondelettes est proposée. Les tests numériques montrent que la SSW a une efficacité de calcul plus élevée que la SSF tout en gardant une bonne précision. / The long-range propagation of electromagnetic waves is a major issue in telecommunication, navigation, and surveillance. The objective of this Ph.D. thesis is to develop fast and accurate modeling methods for the tropospheric propagation in 2D and 3D. In this work, two main contributions towards this objective are achieved. Firstly, self-consistent methods, i.e. based on the discrete electromagnetic theory, are developed in 2D and 3D. Secondly, a fast wavelet-based 2D method is proposed. For simulating the electromagnetic wave propagation in a 2D atmosphere, the split-step Fourier method (SSF) is widely used. The computation is performed marching on in distances taking into account a variable refractivity, an irregular relief, and the electric characteristics of the ground. At each step, the signal is transformed from the spatial to the spectral domains. The phase screens method is applied to model refraction. Besides, to model an impedance ground, the discrete mixed Fourier transform (SSF-DMFT) is used. The concept of the self-consistent electromagnetic theory implies that the use of discrete Maxwell equations for numerical simulations does not lead to spurious solutions. In the widely used SSF-DMFT, the spectral transform is based on the discrete impedance boundary condition, while the propagator is derived from the continuous equation. To overcome this inconsistency, a discrete formulation of SSF-DMFT is proposed, denoted as DSSF-DMFT. The spectral transform and propagator are both derived from the discrete equations to achieve self-consistency. Numerical tests show that SSF-DMFT has spurious oscillations in certain simulation conditions, whereas DSSF-DMFT remains accurate. Indeed, the self-consistency prevents from numerical instabilities. To simulate the propagation in 3D environments, the previous methods are extended to 3D. First, 3D-SSF is presented as a natural extension of SSF. Then, 3D-DSSF is derived from discrete equations. To consider an impedance ground, 3D-DSSF-DMFT is developed leading to new expressions for the propagators. These methods are tested for several configurations, including a refractivity profile extracted from measurements. Results show that they have a high accuracy. They notably consider lateral effects. However, for the propagation in a large computation domain, time and memory occupations become the main concern. To improve the computation burden, a split-step wavelet method (SSW) is proposed in 2D as an alternative to SSF. It is based on the fast wavelet transform, which complexity is weak and which allows for data compression. The propagation is performed by means of a linear combination of wavelets that are individually propagated. Data compression is applied to increase the efficiency. A new local image source method dedicated to wavelet propagation is proposed to consider the ground reflection. Numerical tests show that this method has a higher computational efficiency than SSF while keeping a good accuracy.

Cette thèse s’inscrit dans le domaine mathématique de l’analyse des équations aux dérivées partielles non-linéaires. Plus précisément, nous avons fait ici l’étude de problèmes quasi-linéaires singuliers. Le terme "singulier" fait référence à l’intervention d’une non-linéarité qui explose au bord du domaine où ’équation est posée. La présence d’une telle singularité entraîne un manque de régularité et donc de compacité des solutions qui ne nous permet pas d’appliquer directement les méthodes classiques de l’analyse non-linéaire pour démontrer l’existence de solutions et discuter des propriétés de régularité et de comportement asymptotique de ces solutions. Pour contourner cette difficulté, nous sommes amenés à établir des estimations a priori très fines au voisinage du bord du domaine en combinant diverses méthodes : méthodes de monotonie (reliée au principe du maximum), méthodes variationnelles, argument de convexité, méthodes de point fixe et semi-discrétisation en temps. A travers, l’étude de trois problèmes-modèle faisant intervenir l’opérateur p-Laplacien, nous avons montré comment ces différentes méthodes pouvaient être mises en œuvre. Les résultats que nous avons obtenus sont décrits dans les trois chapitres de cette thèse : Dans le Chapitre I, nous avons étudié un problème d’absorption elliptique singulier. En utilisant des méthodes de sur- et sous solutions et des méthodes variationnelles, nous établissons des résultats d’existence de solutions. Par des méthodes de comparaison locale, nous démontrons également la propriété de support compact de ces solutions, pour de fortes singularités. Dans le Chapitre II, nous étudions le cas d’un système d’équations quasi-linéaires singulières. Par des arguments de point fixe et de monotonie, nous démontrons deux résultats généraux d’existence de solutions. Dans un deuxième temps, nous faisons une analyse plus détaillée de systèmes du type Gierer-Meinhardt modélisant des phénomènes biologiques. Des résultats d’unicité ainsi que des estimations précises sur le comportement des solutions sont alors obtenus. Dans le Chapitre III, nous faisons l’étude d’un problème d’absorption, parabolique singulier. Nous établissons par une méthode de semi-discrétisation en temps des résultats d’existence de solutions. Grâce à des inégalités d’énergie, nous démontrons également l’extinction en temps fini de ces solutions. / This thesis deals with the mathematical field of nonlinear partial differential equations analysis. More precisely, we focus on quasilinear and singular problems. By singularity, we mean that the problems that we have considered involve a nonlinearity in the equation which blows-up near the boundary. This singular pattern gives rise to a lack of regularity and compactness that prevent the straightforward applications of classical methods in nonlinear analysis used for proving existence of solutions and for establishing the regularity properties and the asymptotic behavior of the solutions. To overcome this difficulty, we establish estimations on the precise behavior of the solutions near the boundary combining several techniques : monotonicity method (related to the maximum principle), variational method, convexity arguments, fixed point methods and semi-discretization in time. Throughout the study of three problems involving the p-Laplacian operator, we show how to apply this different methods. The three chapters of this dissertation the describes results we get :– In Chapter I, we study a singular elliptic absorption problem. By using sub- and super-solutions and variational methods, we prove the existence of the solutions. In the case of a strong singularity, by using local comparison techniques, we also prove that the compact support of the solution. In Chapter II, we study a singular elliptic system. By using fixed point and monotonicity arguments, we establish two general theorems on the existence of solution. In a second time, we more precisely analyse the Gierer-Meinhardt systems which model some biological phenomena. We prove some results about the uniqueness and the precise behavior of the solutions. In Chapter III, we study a singular parabolic absorption problem. By using a semi-discretization in time method, we establish the existence of a solution. Moreover, by using differential energy inequalities, we prove that the solution vanishes in finite time. This phenomenon is called "quenching".