The Liouville resolvent method is an unconventional technique used for finding a Green function for a Hamiltonian. Implementation of the method entails the calculation of commutators of a second-quantized Hamiltonian operator with particular generalized stepping operators that are elements of a Hilbert space and that represent transitions between many-particle states. These commutators produce linear combinations of stepping operators, so the results can be arrayed as matrix elements of the Liouville operator L̂ in the Hilbert space of stepping operators. The resulting L̂ matrix is usually of infinite order, and in principle its eigenvalues and eigenvectors can be used to construct the Green function from the L̂ resolvent matrix. Approximations are usually necessary, at least in the form of truncation of the L̂ matrix, and if one produces a sequence of such matrices of increasing order and calculates the eigenvalues and eigenvectors of these matrices, a sequence of approximations for the L̂ resolvent matrix can be produced. This sequence is mathematically guaranteed to converge to the exact result for the L̂ resolvent matrix (except at its singularities). The accuracy of an approximation depends on the order of the matrix at which the sequence is truncated. Application of the method to a Hamiltonian representing interactions between fermions and bosons involves complications arising from the large number of terms generated by the commutation properties of boson operators. This dissertation describes the method and its use in the study of fermion-boson couplings. Approximations to second order in stepping operators are calculated for simplified Froehlich and Lee models. Limited thermodynamic results are obtained from the Lee model. Exact energy eigenvalues are obtained by operator algebra for simplified Froehlich, Lee and Dirac models. These exact solutions comprise the main contribution of this research and will prove to be valuable starting points for further research. Suggestions are made for further research. / Ph. D. / incomplete_metadata

Cette thèse comprend trois sujets différents, tous en rapport à des problèmes de structures électroniques. Ces trois sujets sont présentés dans trois parties indépendantes.Cette thèse commence par une introduction générale présentant les problématiques et les principaux résultats.La première partie traite de la théorie de la fonctionnelle de la densité lorsqu'elle est appliquée aux modèles d'électrons avec spins polarisés. Cette partie est divisée en deux chapitres. Dans le premier de ces chapitres, nous introduisons la notion de N-représentabilité, et nous caractérisons les ensembles de matrices de densité de spin représentables. Dans le second chapitre, nous montrons comment traiter mathématiquement le terme de Zeeman qui apparaît dans les modèles comprenant une polarisation de spin. Le résultat d'existence qui est démontré dans (Anantharaman, Cancès 2009) pour des systèmes de Kohn-Sham sans polarisation de spin est étendu au cas des systèmes avec polarisation de spin.Dans la seconde partie, nous étudions l'approximation GW. Dans un premier temps, nous donnons une définition mathématique de la fonction de Green à un corps, et nous expliquons comment les énergies d'excitation des molécules peuvent être obtenues à partir de cette fonction de Green. La fonction de Green peut être numériquement approchée par la résolution des équations GW. Nous discutons du caractère bien posé de ces équations, et nous démontrons que les équations GW0 sont bien posées dans un régime perturbatif. Ce travail a été effectué en collaboration avec Eric Cancès et Gabriel Stoltz.Dans le troisième et dernière partie, nous analysons des méthodes numériques pour calculer les diagrammes de bandes de structures cristallines. Cette partie est divisée en deux chapitres. Dans le premier, nous nous intéressons à l'approximation de Hartree-Fock réduite (voir (Cances, Deleurence, Lewin 2008)). Nous prouvons que si le cristal est un insolant ou un semi-conducteur, alors les calculs réalisés dans des supercellules convergent exponentiellement vite vers la solution exacte lorsque la taille de la supercellule tend vers l'infini. Ce travail a été réalisé en collaboration avec Salma Lahbabi. Dans le dernier chapitre, nous présentons une nouvelle méthode numérique pour le calcul des diagrammes de bandes de cristaux (qui peuvent être aussi bien isolants que conducteurs). Cette méthode utilise la technique des bases réduites, et accélère les méthodes traditionnelles. Ce travail a été fait en collaboration avec Eric Cancès, Virginie Ehrlacher et Damiano Lombardi / This thesis contains three different topics, all related to electronic structure problems. These three topics are presented in three independent parts.This thesis begins with a general introduction presenting the problematics and main results.The first part is concerned with Density Functional Theory (DFT), for spin-polarized models. This part is divided in two chapters. In the first of these chapters, the notion of N-representability is introduced and the characterizations of the N-representable sets of spin-density 2X2 matrices are given. In the second chapter, we show how to mathematically treat the Zeeman term in spin-polarized DFT models. The existence of minimizers that was proved in (Anantharaman, Cancès 2009) for spin-unpolarized Kohn-Sham models within the local density approximation is extended to spin-polarized models.The second part of this thesis focuses on the GW approximation. We first give a mathematical definition of the one-body Green's function, and explain why methods based on Green's functions can be used to calculate electronic-excited energies of molecules. One way to compute an approximation of the Green's function is through the self-consistent GW equations. The well-posedness of these equations is discussed, and proved in the GW0 case in a perturbative regime. This is joint work with Eric Cancès and Gabriel Stoltz.In the third and final part, numerical methods to compute band-diagrams of crystalline structure are analyzed. This part is divided in two chapters.In the first one, we consider a perfect crystal in the reduced Hartree-Fock approximation (see (Cances, Deleurence, Lewin 2008)). We prove that, if the crystal is an insulator or a semi-conductor, then supercell calculations converge to the exact solution with an exponential rate of convergence with respect to the size of the supercell. This is joint work with Salma Lahbabi. In the last chapter, we provide a new numerical method to calculate the band diagram of a crystal (which can be either an insulator or a conductor). This method, based on reduced basis techniques, speeds up traditional calculations. This is joint work with Eric Cancès, Virginie Ehrlacher, and Damiano Lombardi

Sound propagation in a waveguide is greatly dependent on the acoustic properties of the boundaries. The effect of these properties can be described by a bottom reflection coefficient RB, and surface reflection coefficient RS. Two methods for estimating reflection coefficients are used in this research. The first, the ratio method, is based on the variations of the Green's function with depth utilizing the ratio of the wavenumber spectra at two depths. The second, the pole method, is based on the wavenumbers of the modal peaks in the spectrum at a particular depth. A method to invert for sound speed and density is also examined. Estimates of RB and RS based on synthetic data by the ratio method were very close to their predicted values, especially for higher frequencies and longer apertures. The pole method returned less precise estimates though with longer apertures, the estimates were better. Using experimental data, results of the pole method as well a geoacoustic inversion technique based on them were mixed. The ratio method was used to estimate RS based on the actual data and returned results close to the predicted phase of p. / by Alexander Conrad. / Vita. / Thesis (M.S.C.S.)--Florida Atlantic University, 2010. / Includes bibliography. / Electronic reproduction. Boca Raton, Fla., 2010. Mode of access: World Wide Web.

Neste trabalho é desenvolvido um método, que utiliza funções de Green, para a solução analítica da equação de difusão de nêutrons em multigrupo, para um reator refletido, cujo fluxo tem dependência apenas radial e com distribuição de combustível não uniforme no cerne. As propriedades de moderação, difusão e absorção são consideradas diferentes no cerne e refletor. Uma distribuição de densidade de potência, que estabelece a condição de criticalidade do reator, é assumida a priori e determina a distribuição de combustível no cerne. Com auxílio das funções de Green e das condições de continuidade do fluxo e da densidade de corrente de nêutrons na interface cerne-refletor, a equação de difusão em multigrupo é transformada em um sistema de equações lineares, contendo como incógnitas os valores dos fluxos na interface entre as regiões. Resolvido esse sistema, obtém-se os valores dos fluxos na interface e, com eles, a distribuição de fluxo em cada região e para cada grupo. Como verificação do método proposto, é feita uma aplicação numérica, utilizando dois grupos de energia, para um reator TRIGA de 1MW. Nessa aplicação são calculadas, além das distribuições de fluxos para os dois grupos de energia, a distribuição de combustível no cerne, a massa crítica e a potência específica linear, para diferentes distribuições de densidade de potência. / In the present work a method is developed for applying Green\'s functions to obtain an analytical solution o£ the neutron diffusion equation to the case o£ a reflected reactor. The problem of a non-uniform fuel distribution in the core is treated. Multigroup theory is used and the neutron flux is assumed to have only radial dependence. Different values are employed to characterize the moderation, diffusion and absorption properties o£ the core and the reflector. A power density distribution which establishes the reactor critica1 condition \"a priori\" is assumed and is then used to calculate the fuel distribution. By using the Green\'s functions and the continuity relations (for neutron fluxes and neutron current densities) at the core-reflector interface, the multigroup diffusion equation is transformed into a system of linear equations. In this system o£ equations the unknowns are the neutron fluxes at the core- reflector interface. Once this system is solved and the interface fluxes are determined, it follows immediately that the neutron flux distribution in the core and in the reflector is determined. The method employed and proposed in the present study has been applied to the problem of calculating the neutron distribution in a 1MW TRIGA reactor, using two energy group. This numerical application, in addition to calculating the two-group flux distribution, the fuel distribution in the core, the critical mass and the linear specific power for different assumed power density distribution have been evaluated.

Mak Ka Wai Charles. / Thesis submitted in: October 2001. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2002. / Includes bibliographical references (leaves 89-91). / Text in English; abstracts in English and Chinese. / Mak Ka Wai Charles. / Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- Overview of the Mathematical Framework --- p.2 / Chapter 1.2 --- System of Interest --- p.7 / Chapter 1.2.1 --- Klein-Gordon equation --- p.7 / Chapter 1.2.2 --- QNM boundary conditions --- p.12 / Chapter 1.3 --- Outline of This Thesis --- p.14 / Chapter 2 --- Green's Function --- p.15 / Chapter 2.1 --- "Formal Expression for G(x,y，w)" --- p.16 / Chapter 2.2 --- "Leaver's Series Solution: An Analytic Expression for g(r, w)" --- p.17 / Chapter 2.3 --- Location of the Cut --- p.22 / Chapter 2.4 --- "Jaffe's Series Solution: An Analytic Expression for f(r,w)" --- p.23 / Chapter 2.5 --- QNMs and Their Locations --- p.26 / Chapter 2.5.1 --- Alternative definitions of QNM --- p.26 / Chapter 2.5.2 --- Methods of searching for QNMs --- p.28 / Chapter 2.5.3 --- Locations of QNMs --- p.29 / Chapter 2.6 --- Green's Function and Eigenspectra --- p.30 / Chapter 3 --- Normalization Function: Analytical Treatment --- p.34 / Chapter 3.1 --- Definition and Properties --- p.34 / Chapter 3.2 --- Analytic Approximations for --- p.36 / Chapter 3.3 --- Polar Perturbations --- p.39 / Chapter 4 --- Normalization Function: Numerical Treatment --- p.42 / Chapter 4.1 --- "Numerical Algorithm for g(x,w)" --- p.42 / Chapter 4.1.1 --- Method --- p.42 / Chapter 4.1.2 --- Equation governing R(z) --- p.45 / Chapter 4.1.3 --- "Equations governing A(x, z) and B(x, z)" --- p.45 / Chapter 4.2 --- "Numerical Algorithm for g(x, ´ؤw)" --- p.49 / Chapter 4.3 --- Numerical Result of q(γ) --- p.50 / Chapter 4.4 --- Comparison of Numerical Result with Analytic Approximations --- p.56 / Chapter 5 --- "Branch Cut Strength of G(x, y, w)" --- p.58 / Chapter 5.1 --- "Relation between q(γ) and ΔG(x,y, ´ؤiγ)" --- p.58 / Chapter 5.2 --- Proof of the Power Law --- p.60 / Chapter 5.3 --- "Numerical Results for ΔG(x, y, ´ؤiγ)" --- p.63 / Chapter 5.4 --- Study of a Physically Important Limit --- p.65 / Chapter 5.4.1 --- Limiting x and y --- p.65 / Chapter 5.4.2 --- Poles on the unphysical sheet --- p.69 / Chapter 5.4.3 --- Zerilli potential --- p.77 / Chapter 6 --- Conclusion --- p.81 / Chapter A --- Tortoise Coordinate --- p.84 / Chapter B --- Solution of the Generalized Coulomb Wave Equation --- p.86 / Chapter C --- Derivation of (5.1) --- p.88 / Bibliography --- p.89

<p>U disertacije je sprovedeno teorijsko istraživanje mikroskopskih i makroskopskih (termodinamičkih) osobina tankoslojnih i niskodimenzionih kristalnih struktura u okviru modela fonona akustičkog tipa. Upoređivanjem fononskih spektara i termodinamičkih svojstava u neograničenim i posmatranim nanostrukturama ustanovljeno je da se oni znatno razlikuju usled postojanja granica kod niskodimenzionih sistema. Takođe je primećeno da u fononskim spektrima niskodimenzionih struktura postoji energijski procep, &scaron;to znači da je energija pobuđivanja fonona u niskodimenzionim kristalnim strukturama veća od one u balku. Ovo uzrokuje da toplotna kapacitivnost u niskotemperaturskoj oblasti ima i znatno niže vrednosti u ograničenim strukturama nego u masovnim uzorcima.</p> / <p>In ths work, a theoretical study of microscopic and thermodynamic properties of thin-layered and low-dimensional crystalline structures &nbsp;of the model type of acoustic phonons was carried out. Comparison of the phonon spectra and &nbsp;thermodynamic properties of the infinite with the observed &nbsp;nanostructures revealed that they differ greatly because of the existence of borders in the low-dimensional systems. It is also noted that in the phonon spectra of nanostructures an energy gap exists, which means that the energy od excitation of phonons in the nanostructured crystal systems is higher than those of the bulk. This indicates that the heat capacitance in the low-temperature range ha a significantly lower values in bounded structures than in massive samples.</p>

La demande pour des systèmes RF plus compacts avec des bandes plus larges a poussé l'exploration de bandes toujours plus hautes en fréquence forçant un transfert des technologies existantes et l'invention de nouvelles pour ces bandes. Parmi les principaux obstacles rencontrés dans cet effort, se trouvent le problème du confinement de champ, les pertes diélectriques importantes, et les difficultés d'intégration entre deux systèmes conçus avec une technologie différente. Afin de pallier à ces problèmes, plusieurs nouvelles technologies sont apparues durant ces deux dernières décennies. Une des plus prometteuse est le guide d'onde intégré au substrat (ou SIW pour Substrate Integrated Waveguide). Sa caractéristique principale est la possibilité d'intégrer les guides d'onde dans un substrat, le plus souvent en intégrant des cylindres métalliques ou diélectriques densément disposés, dans un substrat dont les faces, inférieure et supérieure, sont hautement conductrices. Cette technologie offre une liberté sans précédent à la gamme de systèmes pouvant être réalisés. La richesse de possibilités de designs, la robustesse et la solidité des performances ont conduit à un nombre très larges de systèmes SIW, certains d'entre eux trouvant place dans des applications commerciales. L'inconvénient de cette technologie provient du très grand nombre d'élément nécessaire et de la complexité de son agencement. Par conséquent, ils présentent un défi du point de vue d'un concepteur, nécessitant des analyses numériques et des optimisations. Les solveurs les plus couramment utilisés à cette fin sont basés sur la FÉM, la FDTD / FDFD et MoM, ou sur une fusion de plusieurs méthodes. Bien qu'ils soient à la hauteur pour une vaste gamme de structures, les plus rapides et plus précis sont très recherchés. Cette thèse porte sur une méthode numérique hybride adaptée à l'analyse d'une vaste gamme de structures SIW planaires. Elle repose sur une représentation efficace des champs dans des guides d'ondes à parois parallèles, chargés avec des diélectriques planaires simples ou multicouches contenant des cylindres ; elle permet la construction de systèmes linéaires dont les solutions donnent les amplitudes de champ post-dispersion. Ce problème est ce que nous appelons le mode-matching, et fournit des moyens de calcul rapide de champ en présence de cylindres métalliques et diélectriques. Étant donné qu'une part importante de ces dispositifs utilise des fentes rectangulaires étroites comme éléments de couplage et de rayonnement, nous proposons une approche basée sur les MoM pour leur analyse. Grâce à l'application du principe d'équivalence, chaque fente remplacée par des courants magnétiques équivalents; la procédure divise efficacement le problème le plus large en plusieurs plus petits, chacun appartenant à une région délimitée par des plaques PEC parallèles (un seul guide d'ondes à plans parallèles). En exerçant les conditions aux limites sur les surfaces des fentes et en effectuant la pondération Galerkin, on obtient un système linéaire dont les solutions sont les amplitudes des courants magnétiques. De là, nous procédons au calcul des quantités pertinentes telles que les paramètres S, Y et Z. Nous fournissons des critères empiriques pour choisir le nombre de modes / fonctions de base suffisantes pour une grande précision. En outre, nous présentons des techniques d'approximation et montrons comment exploiter les symétries inhérentes à des dispositifs SIW afin d'accélérer encore plus la méthode. Nous présentons les résultats de l'analyse de plusieurs structures SIW, obtenus par notre code en interne sur la base de la méthode exposée ici, et les comparons à ceux obtenus avec un solveur commercial standard. Les résultats obtenus montrent une excellente précision et efficacité de la méthode proposée. Le facteur d'accélération, la robustesse et la généralité en font un outil attrayant pour être utilisé dans la conception et l'optimisation des dispositifs SIW. / With constant demand for larger band and more compact RF devices, the rapid shift to higher frequency regions, as high as the W-band (75 to 110 GHz), forces microwave designers to both transfer existing technologies to and invent new ones for these bands. The major obstacles encountered in this endeavour are the problem of efficient field confinement, problematic electrical contacts, high dielectric losses, and difficult integration between devices realized with different technologies, to name a few. To overcome these issues, several competing technologies emerged in the past two decades. One of the most promising is the substrate-integrated waveguide (SIW) paradigm. Its key feature is the possibility of integrating waveguides into substrates, most often done by embedding densely-packed metal and dielectric cylinders into substrates bounded by highly-conductive layers, e.g. PCB-type ones. This provides unprecedented freedom in the range of devices that can be realized. Though commonly planar, these devices may have sidewalls of almost arbitrary shape and can be easily integrated with ones realized in alternative technologies, such as the coplanar-waveguide or microstrip technology. The richness in design possibilities, robustness and solid performance has led to a very large number of SIW devices, some of them finding place in commercial applications. Unfortunately, they often comprise a large number of elements and have complex layouts. Hence, they present a challenge from a designer’s perspective, necessitating numerical analysis and optimization. The most common solvers used for that purpose are based on FEM, FDTD/FDFD, and MoM, or merge several methods. Though they are up to the task for a vast range of structures, faster and more accurate ones are highly sought for. This thesis is concerned with a hybrid numerical method suited to the analysis of a vast range of planar SIW structures. It relies on an efficient representation of fields in parallel-plate waveguides, loaded with either single or multi-layer planar dielectrics, containing circular cylindrical posts; it enables the construction of linear systems whose solutions yield post-scattered field amplitudes. This problem is what we refer to as mode-matching, and provides means of fast computation of field in presence of metal and dielectric posts. Since a significant share of such devices use narrow rectangular slots as coupling and radiating elements, we propose an MoM-based approach to their analysis. Through the application of the equivalence principle, each slot replaced by equivalent magnetic currents; the procedure effectively partitions the larger problem into several smaller ones, each pertaining to a region bounded by parallel PEC plates (a single parallel-plate waveguide). Enforcing the boundary conditions at surfaces of slots and performing Galerkin weighting, we obtain a linear system whose solutions are the amplitudes of magnetic currents. From there we proceed to the computation of relevant quantities such as S, Y and Z parameters. We provide empirical criteria for choosing the number of modes/basis functions sufficient for high accuracy. Moreover, we present approximation techniques and show how to exploit symmetries inherent in SIW devices to speed up the method even further. To stress the features rendering our approach advantageous over the alternatives,we compare it to ones found in literature representing what we believe to be the most successful attempts. We present the results of analysis of several SIW structures of varying complexity, obtained by our in-house code based on the method exposed here, and compare them against the ones obtained with a standard commercial solver. The obtained results show excellent accuracy and efficiency of the proposed method. The speed-up factor, the robustness and generality make it an attractive tool to be used in design and optimization of SIW devices.

La thèse se concentre sur le suivi temporel des vitesses sismiques, notamment dans des zones de faille actives. En corrélant les signaux générés par le bruit ambiant, il est possible d'estimer la fonction de Green du milieu. Par le suivi continu de ces fonctions, des changements de vitesse dans le milieu peuvent être détectés. Les méthodes de suivi temporel sont appliquées aux données provenant d'une zone de faille active à Parkfield, Californie, ce qui permet de détecter deux chutes de vitesse. Ces dernières coïncident avec des évènements sismiques régionaux, la plus importante concernant un évènement proche des stations. Les deux chutes de vitesse sont suivies d'une récupération postsismique progressive. Pour mieux comprendre la fiabilité des mesures on a effectué des expériences en laboratoire. Un résultat intéressant de ces expériences montre que la reconstruction exacte de la fonction de Green n'est pas nécessaire pour le suivi temporel, ce qui ouvre la voie à de nombreuses possibilités d'applications en sismologie. Grâce à cette connaissance, la série de données de Parkfield a été ré-analysée. En améliorant la résolution temporelle à 1 journée, on montre que la chute de vitesse observée est cosismique avec le séisme de Parkfield. On a établi que les fluctuations de vitesse ne sont pas simplement corrélées aux variations de la distribution de sources du bruit obtenue par formation de voies. Enfin, les méthodes développées sont appliquées à un séisme au Japon. Le réseau étant de taille beaucoup plus grande que celui utilisé pour l'étude de Parkfield, ces données sont analysées pour étudier la dépendance entre la distance stations-séisme et la chute de vitesse mesurée. / The thesis concentrates on monitoring seismic speeds, especially in active fault zones. By correlating signals generated by background noise, one can estimate the Green's function of a medium. When continuously following these functions, wave speed changes in the medium can be detected. Monitoring methods are applied to data from an active fault zone in Parkfield, California, where two wave speed drops, which coincide with regional seismic events, are detected. The largest corresponds to an event close to the stations. Both speed drops are followed by a gradual postseismic relaxation. In order to understand the reliability of the measurements, we perform laboratory experiments. One interesting result of these experiments shows that an exact reconstruction of the Green's function is not necessary for monitoring, which opens up many possibilities of applications to seismology. Armed with this knowledge, the Parkfield data is analysed again. By improving the temporal resolution to 1 day, we show that the observed speed drop is coseismic with the Parkfield event. We establish that the speed fluctuations are not simply correlated to variations in noise source distribution obtained by beamforming. Finally, the developed methods are applied to an event in Japan. Since the array is spatially much larger than the one used at Parkfield, this data is analyzed to study the dependence between station-event distance and the measured seismic speed drop. STAR

No description available.

Thesis (Ph. D.)--Ohio State University, 2006. / Title from first page of PDF file. Includes bibliographical references (p. 129-135).