Esta tese apresenta uma nova aproximação variacional baseada no Método da Coordenada Geradora e na Teoria do Funcional da Densidade. Nesta nova aproximação, a função de onda de muitos corpos é representada como uma superposição de determinantes de Slater Kohn-Sham não-ortogonais calculados a partir de Hamiltonianos diferentes que carregam uma coordenada geradora atuando como parâmetro de deformação. A discretização integral sobre o conjunto de coordenadas geradoras fornece a energia total variacional do sistema e a contribuição de cada determinante na combinação da respectiva função de onda de muitos corpos. A flexibilidade desta nova metodologia permitiu aplicá-la no estudo das energias totais do estado fundamental e excitado dos átomos da série isoeletrônica do Hélio, utilizando diferentes conjuntos de coordenadas geradoras, diferentes aproximações para o potencial de troca e correlação e diferentes maneiras de implementar a coordenada geradora dentro do Hamiltoniano Kohn-Sham. Em seguida, as bases desta nova metodologia foram estendidas para o caso dependente do tempo, permitindo estudar, por exemplo, processos não-lineares como excitações duplas, conhecidas por sua forte dependência dos efeitos de memória. A nova metodologia foi aplicada no estudo das oscilações paramétricas de um sistema de dois elétron sob um potencial harmônico, o átomo de Hooke. Os resultados demonstram que a escolha adequada das coordenadas geradoras reproduz com precisão os efeitos lineares e não-lineares dos elétrons do sistema que não podem ser descritos pela Teoria do Funcional da Densidade Dependente do Tempo utilizando a aproximação adiabática. Assim, a nova metodologia mostra-se: flexível, pois permite calcular propriedades do estado fundamental e excitado, estáticas e dinâmicas dos sistemas eletrônicos fornecendo ainda uma aproximação variacional para as respectivas funções de onda de muitos corpos em todos os casos; e também viável, pois fornece resultados promissores no caso independente do tempo constituindo uma ferramenta simples e computacionalmente barata de incluir os efeitos de memória em qualquer aproximação adiabática no caso dependente do tempo. / A new variational approach based on the Generator Coordinate Method and Density- Functional Theory is presented. It represents the interacting many-body wave function as a superposition of non-orthogonal Kohn-Sham Slater determinants arising from different Hamiltonians featuring a generator coordinate acting as a deformation parameter. An integral discretization procedure over the set of generator coordinates provides the variational total energy of the system and the weight of each determinant in the approximation of the respective interacting many-body wave functions. The method was used to calculate the ground and excited state total energies of the Helium isoelectronic serie of atoms using different sets of generator coordinates, different approximations to the exchange-correlation potential and different implementations of the generator coordinate whithin the Kohn-Sham Hamiltonian. Next, the time dependent extension of the method is presented allowing its application, for example, on the study of nonlinear processess as double excitations which are known to be strongly dependent of the memory effects. As an illustration, the method is sucessfully applied to driven parametric oscillations of a two interacting electrons in a harmonic potential, the Hooke\'s atom. It is demonstrated that a proper choice of time-dependent generator coordinates in conjunction with the adiabatic local-density approximation reproduces the exact linear and nonlinear twoelectron dynamics quite accurately, including features associated with double excitations that cannot be captured by Time-Dependent Density-Functional Theory in the adiabatic approximation. Therefore, the method is considered, flexible since it allows to calculate ground and excited-states, static and dynamic properties of the electronic systems yeilding a variational approach to the interacting many-body wave functions for all cases, and feasible, since it improves the results for ground and excited-states total energies in the time-independente case, besides to be a conceptually and computationally simple tool to build memory effects into any existing adiabatic exchange-correlation potential in the time-dependent case.

Os codificadores preditivos de voz por analise-mediante-síntese vem sendo amplamente aplicados em telefonia móvel celular e em telecomunicações sigilosas. A predição linear do sinal de voz e as técnicas de análise-mediante-síntese são apresentadas de forma a relacionar algumas características perceptivas da audição humana as técnicas e parâmetros usados no processamento de sinais. Esta classe de codificadores e descrita no contexto do codificador preditivo excitado por códigos. Estruturas especiais do codificador tais como livros de códigos adaptativos, esparsos e definidos por base vetorial são abordadas bem como melhoramentos de processamento tais quais as buscas com ortogonalidade. Propõe-se um novo codificador, o codificador preditivo linear com excitação decomposta em vetores singulares, que complementa uma representação recentemente anunciada da excitação da voz com buscas em livros de códigos adaptativos. Os resultados de um estudo de codificadores principais desta classe são apresentados. A analise comparativa baseia-se em medidas objetivas temporais e espectrais. Um estudo suplementar de seleção espectral das características da excitação e de quantização do conjunto completo de parâmetros do codificador proposto revelou resultados interessantes sobre a representação espectral adaptativa e sobre a sensibilidade a quantização das características da excitação. / Analysis-by-synthesis linear predictive speech coders are widely applied in mobile and secure telecommunications. Linear prediction of speech signals and analysis-by-synthesis techniques are presented so that some perceptual features of human hearing may be related to signal processing techniques and parameters. The basic operation of this class of coders is described in the framework of the code-excited predictive coder. Special coder structures such as adaptive, sparse and vector-basis codebooks are introduced as well as processing enhancements such as orthogonal searches. A recently introduced representation of voice excitation is complemented by adaptive codebook searches to give rise to the new proposed coder, the singular-vector-decomposed excitation linear predictive coder. The sults of a study of some important coders in this class is present. The coders are compared on the basis of waveform and spectral objective distortion measures. A further study of spectral selection of excitation features, and quantization of the whole set of parameters is performed on the proposed coder. Some interesting results are described concerning the adaptive spectral representation and the sensitivity to quantization of the excitation features.

"RF excited CO2 lasers are widely used in industry. They provide relatively high power discharge levels while maintaining compactness, simplicity, and durability with respect to other competing laser technologies. To attain high power levels in the range of 5-10 KW, lasers with large electrode areas have to be designed. Unfortunately, due to the large electrode length requirements, transmission line effects make the discharge loading nonlinear, adversely affecting the efficiency of the CO2 laser. A standard approach to linearize the discharge loading is to introduce shunt inductors across the length of the electrodes in an effort to counter the capacitive nature of the discharge behavior. This thesis investigates and improves the theoretical models found in the literature in an effort to predict the discharge non-uniformity and allow for multiple shunt inductors installation. Specifically, we discuss the coupling of a CO2 laser discharge model with an electrical circuit solving scheme and how it can be characterized as one dimensional (1-D) and two dimensional (2-D) systems. The 1-D system is modeled using transmission line (TL) theory, where as the 2-D system is modeled using a finite difference time domain (FDTD) scheme. All our models were implemented in standard MATLAB code and the results are compared with those found in the literature with the goal to analyze and ascertain model limitations."

No description available.

Os codificadores preditivos de voz por analise-mediante-síntese vem sendo amplamente aplicados em telefonia móvel celular e em telecomunicações sigilosas. A predição linear do sinal de voz e as técnicas de análise-mediante-síntese são apresentadas de forma a relacionar algumas características perceptivas da audição humana as técnicas e parâmetros usados no processamento de sinais. Esta classe de codificadores e descrita no contexto do codificador preditivo excitado por códigos. Estruturas especiais do codificador tais como livros de códigos adaptativos, esparsos e definidos por base vetorial são abordadas bem como melhoramentos de processamento tais quais as buscas com ortogonalidade. Propõe-se um novo codificador, o codificador preditivo linear com excitação decomposta em vetores singulares, que complementa uma representação recentemente anunciada da excitação da voz com buscas em livros de códigos adaptativos. Os resultados de um estudo de codificadores principais desta classe são apresentados. A analise comparativa baseia-se em medidas objetivas temporais e espectrais. Um estudo suplementar de seleção espectral das características da excitação e de quantização do conjunto completo de parâmetros do codificador proposto revelou resultados interessantes sobre a representação espectral adaptativa e sobre a sensibilidade a quantização das características da excitação. / Analysis-by-synthesis linear predictive speech coders are widely applied in mobile and secure telecommunications. Linear prediction of speech signals and analysis-by-synthesis techniques are presented so that some perceptual features of human hearing may be related to signal processing techniques and parameters. The basic operation of this class of coders is described in the framework of the code-excited predictive coder. Special coder structures such as adaptive, sparse and vector-basis codebooks are introduced as well as processing enhancements such as orthogonal searches. A recently introduced representation of voice excitation is complemented by adaptive codebook searches to give rise to the new proposed coder, the singular-vector-decomposed excitation linear predictive coder. The sults of a study of some important coders in this class is present. The coders are compared on the basis of waveform and spectral objective distortion measures. A further study of spectral selection of excitation features, and quantization of the whole set of parameters is performed on the proposed coder. Some interesting results are described concerning the adaptive spectral representation and the sensitivity to quantization of the excitation features.

Made available in DSpace on 2017-07-10T17:11:51Z (GMT). No. of bitstreams: 1 Giovano Mayer.pdf: 9964402 bytes, checksum: fa8e2023cd08bf7b10d7d806375b1277 (MD5) Previous issue date: 2012-12-10 / The use of alternative sources of energy requires electromechanical conversion equipments that exhibit low installation, operating and maintenance costs. In such way, small energy resources that are not connect to the power system (PS) can be benefited by the use of squirrel-cage induction generators (IG) which show such characteristics. When operating in an isolated mode, the IG is called SEIG - Self Excited Induction Generator, and in this configuration its self excitation is promoted through the connection of appropriate capacitors to the terminals of the machine stator. The existence of self-excitation in the IG depends on the value of the capacitor connected to the stator, the mechanical velocity and the load. This work aims to study the conditions of existence of self-excitation in induction generators having in mind applications in isolated generators systems. Towards this goal, initially the conditions for the existence of self-excitation are stated in terms of appropriate parameters, units and quantities, so as to highlight its relations with the operative characteristics of the machine. It is considered that the induction generator is connected to a load that contains both reactive and active components, parameterized in terms of its rated power. The self-excitation capacitors are represented by its reactive power, called self-excitation reactive power (PRAE). Self-excitation existence regions are defined which explicitate conditions for the existence and maintenance of self-excitation over, a region of operating conditions (OR) of the generator. Through the analysis of the existence of the self-excitation over the OR and the parameterization of the PRAE and the load in terms or rated power, procedures for SEIG design are established. With these procedures, the design of the SEIG is defined by the maximum load power, the worse load power factor condition, and the minimum self-excitation speed of the generator. The process of self-excitation of the generator and the design procedures are analyzed with the aid of dynamic simulations of the SEIG complete model, including the non linear model of the magnetizing inductance representing the magnetic saturation. A laboratorial bench was developed to allow studies with asynchronous generation, in particular with the SEIG. The parameters of the generator were identified experimentally and used all along the work, especially in the dynamic simulations showed. The results were also compared with experimental data collected from self-excitation tests performed with the developed laboratory bench. / A utilização de fontes alternativas de energia requer equipamentos de conversão eletromecânica que apresentem baixos custos de implantação, operação e manutenção. Desta forma, pequenos recursos energéticos não ligados ao sistema elétrico de potência (SEP) podem ser beneficiados pelo emprego do gerador de indução (GI) com rotor em gaiola, que apresenta tais características. Quando operado de forma isolada, o GI é denominado de SEIG Self Excited Induction Generator, e nesta configuração sua autoexcitação é promovida através do acoplamento de capacitores apropriados aos terminais do estator da máquina. A existência da autoexcitação no GI depende do valor do capacitor conectado ao estator, da velocidade mecânica e da carga. Este trabalho tem por objetivo estudar as condições de existência da autoexcitação em geradores de indução visando sua aplicação em sistemas isolados de geração. Neste sentido, inicialmente as condições de existência de autoexcitação são colocadas em termos de parâmetros, unidades e grandezas apropriadas, a fim de explicitar as relações com as características operativas da máquina. Também é considerado que o gerador de indução é acoplado a uma carga que contém componentes tanto ativos quanto reativos parametrizados em termos de potência. Os capacitores de autoexcitação são representados por sua potência reativa denominada de potência reativa de autoexcitação (PRAE). São definidas regiões de existência de autoexcitação explicitando condições para a existência e a manutenção da autoexcitação em torno de regiões operativas (RO) do gerador. Através da análise da existência da autoexcitação em torno da RO e da representação da PRAE e da carga em termos de potência, são estabelecidos procedimentos de projeto do SEIG. Com estes procedimentos, o dimensionamento do SEIG fica em função da carga máxima a ser acionada, da pior condição de fator de potência da mesma e da velocidade mínima de autoexcitação do gerador. O processo de autoexcitação do gerador e os procedimentos de projeto são analisados com o auxílio de simulações dinâmicas do modelo completo do SEIG, incluindo o modelo não linear da indutância de magnetização representando a saturação magnética. Uma bancada laboratorial foi desenvolvida para possibilitar estudos com geração assíncrona, em particular com o SEIG. Os parâmetros do gerador foram levantados experimentalmente e utilizados em todo o trabalho, inclusive nas simulações dinâmicas apresentadas. Os resultados foram confrontados também com dados experimentais de testes de autoexcitação obtidos com a bancada desenvolvida.

L'expérience NEMO3 était dédiée à la recherche de la désintégration ββ0ν à l'aide de diverses sources d'isotopes de désintégration double bêta (principalement ¹ººMo, ⁸²Se, ¹¹⁶Cd et ¹³ºTe pour un total d'environ 10 kg). Le détecteur était localisé dans le Laboratoire souterrain de Modane, à mi-parcours du tunnel du Fréjus. Cette expérience a permis de démontrer que la technologie "tracko-calo" est très compétitive et a de plus offert de nouveaux résultats pour la recherche des désintégrations ββ2ν et ββ0ν. Par ailleurs, elle a ouvert la voie pour son successeur SuperNEMO, dont le but est d'atteindre 100 kg de ⁸²Se (pour une sensibilité de 10²⁶ années). Le but principal de cette thèse a été de mesurer le temps de demi-vie des désintégrations ββ2ν et ββ0ν du ¹ººMo vers les états excités 0₁⁺ du ¹ººRu à l'aide des données totales de NEMO3, avec de nouvelles méthodes d'analyse et un développement du programme d'analyse de la collaboration. Les résultats obtenus pour la désintégration ββ2ν du ¹ººMo vers l'état fondamental (gs) et excité (0₁⁺) du ¹ººRu sont T1/2(ββ2ν,gs)=(7,05±0,01(stat)±0,54(syst)).10¹⁸ ans et T1/2(ββ2ν,0₁⁺)=(6,15±1,1(stat)±0,78)).10²º ans. Ces résultats sont compatibles avec les résultats publiés par la collaboration. Quant à la désintégration ββ0ν(0₁⁺), ce travail permet d’obtenir un temps de demi-vie de T1/2(ββ0ν, 0₁⁺)>2,6.10²³ ans, améliorant significativement les derniers résultats publiés. De plus ces méthodes ont aussi permis de présenter un nouveau modèle de bruit de fond de l'expérience, plus exhaustif. Le second but de ce travail a été de mesurer les erreurs systématiques du calorimètre de NEMO3 dues, entre autres, à la longueur d'onde des systèmes d’étalonnage du détecteur. Ce travail a été réalisé notamment à l'aide d'un banc de test basé sur des DEL. Ce banc a aussi permis de contribuer au développement du calorimètre de SuperNEMO, particulièrement au travers de mesures de linéarité et de caractéristiques temporelles des PM destinés au démonstrateur de l'expérience. / The NEMO3 experiment was researching the ββ0ν decay by using various sources of double beta decay isotopes (mainly ¹ººMo, ⁸²Se, ¹¹⁶Cd and ¹³⁰Te for about 10 kg in total). The detector was located in the “Laboratoire Souterrain de Modane”, in the halfway point of the Frejus tunnel. This experiment demonstrated that the "tracko-calo" technology is really competitive and, in addition, it gives new results for the ββ2ν and the ββ0ν decay research. Moreover it opened a new way for its successor SuperNEMO, which aim is to reach a mass of 100 kg of ⁸²Se (for a sensitivity of 10²⁶ years). The main goal of the thesis is to measure the ββ2ν and ββ0ν decay of the ¹ººMo to the excited state 0₁⁺ of the ¹ººRu thanks to the whole NEMO3 data, with new original methods of analysis and through the development of the collaboration analysis software. The results obtained for the ground states (gs) and excited states ββ2ν of the ¹ººMo are T1/2(ββ2ν,gs)=(7,05±0,01(stat)±0,54(syst)).10¹⁸ years and T1/2(ββ2ν, 0₁⁺)=(6,15±1,1(stat)±0,78)).10²º years. Those results are compatibles with the last published ones by the collaboration. For the ββ0ν(0₁⁺), this work gave a half-life time of T1/2 (ββ0ν, 0₁⁺)>2,6.10²³ years, improving significantly the last published results. Furthermore those methods also allowed to present a new and more exhaustive background noise model for this experiment. The second point of this work was to measure the systematics errors of the NEMO3 calorimeter, among others, due to the wavelength of the NEMO3 calibration systems. This work was done using a new test bench based on LED. This bench also allowed to contribute to the development of the SuperNEMO calorimeter, especially in the time characteristic and the energy linearity measurement of the PMT intended to the demonstrator of the experiments.

En chimie quantique, le principe variationnel est largement utilisé pour calculer la limite supérieure de l'énergie exacte d'un système atomique ou moléculaire. Des méthodes pour calculer la valeur limite inférieure de l'énergie existent mais sont bien moins connues. Une méthode précise pour calculer une telle limite inférieure permettrait de fournir une barre d'erreur théorique pour toute méthode de chimie quantique. Nous avons appliqué des méthodes de type variance pour calculer différentes énergies limites inférieures de l'atome d'hydrogène en utilisant des fonctions de base gaussiennes. L'énergie limite supérieure se trouve être toujours plus précise que ces différentes limites inférieures, i.e. plus proche de l'énergie exacte. L'importance de points singuliers sur l'évaluation de valeurs moyennes d'opérateurs quantiques a également été soulignée.Nous avons étudié les réactions d'adsorption d'un atome de fluor et d'un ion fluorure sur de petits agrégats de lithium Li$_n$ (n=2-15), à l'aide de méthodes de chimie quantique précises. Pour le plus petit système, nous avons montré que la formation de complexes stables Li$_2$F et Li$_2$F$^-$ se produit par un transfert d'électrons sans barrière et à longue portée, de Li$_2$ vers F pour le système neutre et l'inverse pour le système anionique. De telles réactions pourraient être rapides à très basse température. De plus, les complexes formés présentent des caractéristiques uniques de "longue liaison". Pour les systèmes plus gros Li$_n$F/Li$_n$F$^-$ ($n\geqslant4$), nous avons montré que les énergies d'adsorption peuvent être aussi grandes que 6~eV selon le site d'adsorption et que plus d'un état électronique est impliqué dans le processus d'adsorption. Les complexes formés présentent des propriétés intéressantes de "super alcalins" et pourraient servir d'unités de base dans la synthèse de composés à transfert de charge avec des propriétés ajustables. / In quantum chemistry, the variational principle is widely used to calculate an upper bound to the true energy of an atomic or molecular system. Methods for calculating the lower bound value to the energy exist but are much less known. An accurate method to calculate such a lower bound would allow to provide a theoretical error bar for any quantum chemistry method. We have applied variance-like methods to calculate different lower bound energies of a hydrogen atom using Gaussian basis functions. The upper bound energy is found to be always more accurate than the lower bound energies, i.e. closer to the exact energy. The importance of singular points on mean value evaluation of quantum operators has also been brought to attention.The adsorption reactions of atomic fluorine (F) and fluoride (F$^-$) on small lithium clusters Li$_n$ (n=2-15) have been investigated using accurate quantum chemistry ab initio methods. For the smallest system, we have shown that the formation of the stable Li$_2$F and Li$_2$F$^-$ complexes proceeds via a barrierless long-range electron transfer, from the Li$_2$ to F for the neutral and conversely from F$^-$ to Li$_2$ for the anionic system. Such reactions could be fast at very low temperature. Furthermore, the formed complexes show unique long bond characteristics. For the bigger Li$_n$F/Li$_n$F$^-$ systems ($n\geqslant 4$), we have shown that the adsorption energies can be as large as 6~eV depending on the adsorption site and that more than one electronic state is implied in the adsorption process. The formed complexes show interesting "superalkali" properties and could serve as building blocks in the synthesis of charge-transfer compounds with tunable properties.

Die vorliegende Arbeit umfaßt drei Abhandlungen, welche allgemein mit einer stochastischen Theorie für die Lyapunov-Exponenten befaßt sind. Mit Hilfe dieser Theorie werden universelle Skalengesetze untersucht, die in gekoppelten chaotischen und ungeordneten Systemen auftreten. <br /> <br /> Zunächst werden zwei zeitkontinuierliche stochastische Modelle für schwach gekoppelte chaotische Systeme eingeführt, um die Skalierung der Lyapunov-Exponenten mit der Kopplungsstärke ('coupling sensitivity of chaos') zu untersuchen. Mit Hilfe des Fokker-Planck-Formalismus werden Skalengesetze hergeleitet, die von Ergebnissen numerischer Simulationen bestätigt werden. <br /> <br /> Anschließend wird gezeigt, daß 'coupling sensitivity' im Fall gekoppelter ungeordneter Ketten auftritt, wobei der Effekt sich durch ein singuläres Anwachsen der Lokalisierungslänge äußert. Numerische Ergebnisse für gekoppelte Anderson-Modelle werden bekräftigt durch analytische Resultate für gekoppelte raumkontinuierliche Schrödinger-Gleichungen. Das resultierende Skalengesetz für die Lokalisierungslänge ähnelt der Skalierung der Lyapunov-Exponenten gekoppelter chaotischer Systeme. <br /> <br /> Schließlich wird die Statistik der exponentiellen Wachstumsrate des linearen Oszillators mit parametrischem Rauschen studiert. Es wird gezeigt, daß die Verteilung des zeitabhängigen Lyapunov-Exponenten von der Normalverteilung abweicht. Mittels der verallgemeinerten Lyapunov-Exponenten wird der Parameterbereich bestimmt, in welchem die Abweichungen von der Normalverteilung signifikant sind und Multiskalierung wesentlich wird. / This work incorporates three treatises which are commonly concerned with a stochastic theory of the Lyapunov exponents. With the help of this theory universal scaling laws are investigated which appear in coupled chaotic and disordered systems. <br /> <br /> First, two continuous-time stochastic models for weakly coupled chaotic systems are introduced to study the scaling of the Lyapunov exponents with the coupling strength (coupling sensitivity of chaos). By means of the the Fokker-Planck formalism scaling relations are derived, which are confirmed by results of numerical simulations. <br /> <br /> Next, coupling sensitivity is shown to exist for coupled disordered chains, where it appears as a singular increase of the localization length. Numerical findings for coupled Anderson models are confirmed by analytic results for coupled continuous-space Schrödinger equations. The resulting scaling relation of the localization length resembles the scaling of the Lyapunov exponent of coupled chaotic systems. <br /> <br /> Finally, the statistics of the exponential growth rate of the linear oscillator with parametric noise are studied. It is shown that the distribution of the finite-time Lyapunov exponent deviates from a Gaussian one. By means of the generalized Lyapunov exponents the parameter range is determined where the non-Gaussian part of the distribution is significant and multiscaling becomes essential.

Atomic physics plays an important role in determining the evolution stages in a wide range of laboratory and cosmic plasmas. Therefore, the main contribution to our ability to model, infer and control plasma sources is the knowledge of underlying atomic processes. Of particular importance are reliable low temperature dielectronic recombination (DR) rate coefficients. This thesis provides systematically calculated DR rate coefficients of lithium-like beryllium and sodium ions via ∆n = 0 doubly excited resonant states. The calculations are based on complex-scaled relativistic many-body perturbation theory in an all-order formulation within the single- and double-excitation coupled-cluster scheme, including radiative corrections. Comparison of DR resonance parameters (energy levels, autoionization widths, radiative transition probabilities and strengths) between our theoretical predictions and the heavy-ion storage rings experiments (CRYRING-Stockholm and TSRHeidelberg) shows good agreement. The intruder state problem is a principal obstacle for general application of the coupled-cluster formalism on doubly excited states. Thus, we have developed a technique designed to avoid the intruder state problem. It is based on a convenient partitioning of the Hilbert space and reformulation of the conventional set of pairequations. The general aspects of this development are discussed, and the effectiveness of its numerical implementation (within the non-relativistic framework) is selectively illustrated on autoionizing doubly excited states of helium.