Actuellement, l’identification des modules d’élasticité des différentes couches des chaussées est basée sur des modèles statiques. Ce travail de thèse consiste à développer une approche dynamique qui permet de représenter plus fidèlement la nature dynamique des essais FWD. L’étude semi-analytique à l’aide de la méthode des éléments spectraux est développée pour identifier les paramètres inconnus du système. L’analyse par la méthode des éléments finis permet de cerner au mieux le phénomène d’impact FWD et de mieux comprendre le comportement dynamique des chaussées sous forces d’impact. Le code FER/Impact développé au laboratoire LMEE est utilisé pour la simulation des essais au FWD. Le modèle numérique de la chaussée est un modèle multicouche axisymétrique dont les matériaux des différentes couches est supposés homogène, isotropes et élastiques. Pour prendre en compte l’atténuation des phénomènes dynamiques générés dans le milieu multicouche, l’amortissement de type Rayleigh est considéré. Un appareil innovant est développé pour caractériser les matériaux des plateformes. La méthode des moindres carrés est utilisée pour l’évaluation des modules d’élasticité. La confrontation des résultats expérimentaux et numériques permet de valider l’approche dynamique. / Up to now, the identification of the modulus of elasticity of various layers of pavement is based on static models. The present work consists in developing a dynamic approach which allows representing better the dynamic nature of the FWD test. The semi-analytical study by means of the spectral method is developed to identify unknown parameters of the system. Finite element analysis of the FWD test allows understanding better the dynamic behavior of pavement under impact loadings. The FER/Impact code developed in the LMEE laboratory is applied to simulate a multi-layers pavement model under axisymmetric conditions. The materials of the various layers are supposed homogeneous, isotropic and elastic. To take into account the attenuation of the dynamic phenomena generated in the multilayers media, Rayleigh damping is considered. An innovative device is developed to characterize the material properties of subgrade and foundation. The method of least squares is used for the back-calculation of the modulus of elasticity.. The confrontation of the experimental and numerical results validates the dynamic approach.

By combining the high-order accuracy of spectral expansions with the locality and geometric flexibility of finite elements, spectral elements are an attractive option for the next generation of numerical climate models. Crucial to their construction is the configuration of nodes in an element — casual placement leads to polynomial fits exhibiting Runge phenomena manifested by wild spatial oscillations. I provide highorder triangular elements suitable for incorporation into existing spectral element codes. Constructed from a variety of measures of optimality, these nodes possess the best interpolation error norms discovered to date. Motivated by the need to accurately determine these error norms, I present an optimization method suitable for finding extrema in a triangle. It marries a branch and bound algorithm to a quadtree smoothing scheme. The resulting scheme is both robust and efficient, promising general applicability. In order to qualitatively evaluate these nodal distributions, I introduce the concept of a Lagrangian Voronoi tessellation. This partitioning of the triangle illustrates the regions over which each node dominates. I argue that distant and disconnected regions are undesirable as they exhibit a non-physical influence. Finally, I have discovered a link between point distributions in the simplex and on the hypersphere. Through a simple transformation, a distance metric is defined permitting the construction of Voronoi diagrams and the calculation of mesh norms.

We are concerned with forward wave motion simulations in two-dimensional elastic, heterogeneous, semi-infinite media. We use Perfectly Matched Layers (PMLs) to truncate the semi-infinite extent of the physical domain to arrive at a finite computational domain. We use a recently developed hybrid formulation, where the Navier equations for the interior domain are coupled with a mixed formulation for an unsplit-field PML. Here, we implement the hybrid formulation using spectral elements, and report on its performance. The motivation stems from the following considerations: Of concern is the long-time instability that has been reported even in homogeneous and isotropic cases, when the standard complex-stretching function is used in the PML. The onset of the instability is always within the PML zone, and it manifests as error growth in time. It has been suggested that the instability arises when waves impinge at grazing angle on the PML-interior domain interface. Yet, the instability does not always appear. Furthermore, different values of the various PML parameters (mesh density, attenuation strength, order of attenuation function, etc) can either hinder or delay the onset of the instability. It is thus conjectured that the instability is associated with the spectral properties of the discrete operators. In this thesis, we report numerical results based on both Lagrange interpolants, and results based on spectral elements. Spectral elements are explored since they lead to diagonal mass matrices, have improved dispersion error, and, more importantly, have different spectral properties than Lagrangian-based finite elements. Spectral elements are thus used in an attempt to explore whether the reported instability issues could be alleviated. We design numerical experiments involving explosive sources situated at varying depths from the surface, capable of inducing grazing-angle waves. We use the energy decay as the primary metric for reporting the results of comparisons between various spectral element orders and classical Lagrange interpolants. We also report the results of parametric studies. Overall, it is shown that the spectral elements alone are not capable of removing the instability, though, on occasion, they can. Careful parameterization of the PML could also either remove it or alleviate it. The issue remains open. / text

The discretization of time-dependent wave propagation is plagued with dispersion in which the wavefield is perceived to travel with an erroneous velocity. To remediate the problem, simulations are run on dense and computationally expensive grids yielding plausible approximate solutions. This work introduces an error analysis tool which can be used to obtain optimal simulation parameters that account for mesh size, orders of spatial and temporal discretizations, angles of propagation, temporal stability conditions (usually referred to as CFL conditions), and time of propagation. The classical criteria of 10-15 nodes per wavelength for second-order finite differences, and 4-5 nodes per wavelength for fourth-order spectral elements are shown to be unrealistic and overly-optimistic simulation parameters for different propagation times. This work analyzes finite differences, spectral elements, optimally-blended spectral elements, and isogeometric analysis.

A promising structural health monitoring (SHM) method for implementation on real world structures is impedance-based health monitoring. An in-service system is envisioned to include on board processing and perhaps wireless transfer of data. Ideally, a system could be produced as a slap-on or automatically installed addition to a structure. The research presented in this dissertation addresses issues that will help make such a system a reality. Although impedance-based SHM does not typically use an analytical model for basic damage identification, a model is necessary for more advanced features of SHM, such as damage prognosis, and to evaluate system parameters when installing on various structures. A model was developed based on circuit analysis of the previously proposed low-cost circuit for impedance-based SHM in combination with spectral elements. When a three-layer spectral element representing a piezoceramic bonded to a base beam is used, the model can predict the large peaks in the impedance response due to resonances of the bonded active sensor. Parallel and series connections of distributed sensor systems are investigated both experimentally and with the developed model. Additionally, the distribution of baseline damage metrics is determined to assess how the large quantities of data produced by a monitoring system can be handled statistically. A modification of the RMSD damage metric has also been proposed that is essentially the squared sum of the Z-statistic for each frequency point. Preferred excitation frequencies for macro-fiber composite (MFC) active sensors are statistically determined for a long composite boom under development for use in rigidizable inflatable space structures. / Ph. D.

O objetivo deste projeto de mestrado é estudar o escoamento bidimensional ao redor de um cilindro isolado oscilando forçadamente e apoiado em base elástica através de simulações computacionais utilizando o Método de Elementos Espectrais. Este tópico suscita grande interesse no meio tecnológico, pois esta configuração aparece com bastante freqüência em estruturas marítimas, como os \"risers\" de produção e umbilicais de plataformas de exploração de petróleo, e também no meio acadêmico, uma vez que se trata do estudo de fenômenos complexos originados do escoamento ao redor de uma geometria simples: cilindro circular. A pesquisa tem seu principal enfoque na avaliação da utilização do método espectral de elementos finitos para solução do escoamento bidimensional no limite do regime de esteira laminar, Re < ou = 200 , ao redor de um cilindro oscilando forçadamente e apoiado em base elástica. As simulações do escoamento ao redor de um cilindro oscilando forçadamente são realizadas com duas amplitudes de oscilação do cilindro: 0.15D e 0.40D . Para cada amplitude são utilizadas dez freqüências de oscilação: 0.8 s f , 0.85 s f , 0.9 s f , 0.95 s f , 0.975 s f , 0.9875 s f , 1.025 s f , 1.05 s f , 1.075 s f e 1.1 s f ; onde D é o diâmetro do cilindro e s f é a freqüência de desprendimento de vórtices para cilindro fixo. O objetivo destas simulações é a tentativa de observação do fenômeno da mudança brusca do ângulo de fase entre a força transversal à direção da corrente e o deslocamento do cilindro, \"phase-jump\", obtendo, deste modo, uma base para comparação com trabalhos já existentes sobre o mesmo tema, avaliando o método numérico utilizado para o caso do escoamento ao redor de um cilindro oscilando. As simulações do escoamento ao redor de um cilindro apoiado em base elástica (livre para oscilar) foram feitas com apenas um grau de liberdade: a direção transversal ao escoamento incidente (eixo y no caso estudado). O resultado mais importante deste tipo de configuração, do ponto de vista prático (projetos de \"risers\", e outras estruturas cilíndricas), é a curva max A / D versus r V , isto, devido à dependência da vida útil destas estruturas à máxima amplitude de oscilação. Para reproduzir a curva max A / D versus r V , foram escolhidos os seguintes valores de velocidade reduzida: 1.0, 2.0, 3.0, 3.5, 4.0, 4.5, 5.0, 6.0, 7.0, 8.0, 9.0, e 10.0. / The goal of this work is to study through numerical simulations using the Spectral Elements Method the two-dimensional the flow past a single circular cylinder that is either in simple harmonic cross-flow oscillation or elastically mounted. This is a very important topic for the technological environment because this configuration is identical to offshore structures, like risers of oil production platform and is also important to scientific environment due to the study of complex phenomena originated from the flow past a very simple geometry: a circular cylinder. The focus of this research is to evaluate the use of Spectral Element Method for solution of two-dimensional flow past a circular cylinder that is either in simple harmonic cross-flow oscillation or elastically mounted, at the laminar wake limit, Re < or = 200 . Two oscillation amplitudes were employed for the forced oscillations simulations: 0.15D e 0.40D . And, for each amplitude, were selected ten frequencies: 0.8 s f , 0.85 s f , 0.9 s f , 0.95 s f , 0.975 s f , 0.9875 s f , 1.025 s f , 1.05 s f , 1.075 s f e 1.1 s f ; where D is the cylinder diameter and s f is the vortex shedding frequency. The phase jump phenomenon, e.g., the fast change of phase angle, is observed and compared with existents works evaluating the Spectral Elements Method for forced oscillations cases. In the elastically mounted simulations the most important result, for the practical point of view (risers design), is the max A / D x r V curve, e.g., maximum amplitude versus velocity ratio, due to the relation of risers lifetime with maximum oscillation amplitude. To build the max A / D x r V curve were selected the follow values of velocity ratio: 1.0, 2.0, 3.0, 3.5, 4.0, 4.5, 5.0, 6.0, 7.0, 8.0, 9.0, e 10.0.

O objetivo deste projeto de mestrado é estudar o escoamento bidimensional ao redor de um cilindro isolado oscilando forçadamente e apoiado em base elástica através de simulações computacionais utilizando o Método de Elementos Espectrais. Este tópico suscita grande interesse no meio tecnológico, pois esta configuração aparece com bastante freqüência em estruturas marítimas, como os \"risers\" de produção e umbilicais de plataformas de exploração de petróleo, e também no meio acadêmico, uma vez que se trata do estudo de fenômenos complexos originados do escoamento ao redor de uma geometria simples: cilindro circular. A pesquisa tem seu principal enfoque na avaliação da utilização do método espectral de elementos finitos para solução do escoamento bidimensional no limite do regime de esteira laminar, Re < ou = 200 , ao redor de um cilindro oscilando forçadamente e apoiado em base elástica. As simulações do escoamento ao redor de um cilindro oscilando forçadamente são realizadas com duas amplitudes de oscilação do cilindro: 0.15D e 0.40D . Para cada amplitude são utilizadas dez freqüências de oscilação: 0.8 s f , 0.85 s f , 0.9 s f , 0.95 s f , 0.975 s f , 0.9875 s f , 1.025 s f , 1.05 s f , 1.075 s f e 1.1 s f ; onde D é o diâmetro do cilindro e s f é a freqüência de desprendimento de vórtices para cilindro fixo. O objetivo destas simulações é a tentativa de observação do fenômeno da mudança brusca do ângulo de fase entre a força transversal à direção da corrente e o deslocamento do cilindro, \"phase-jump\", obtendo, deste modo, uma base para comparação com trabalhos já existentes sobre o mesmo tema, avaliando o método numérico utilizado para o caso do escoamento ao redor de um cilindro oscilando. As simulações do escoamento ao redor de um cilindro apoiado em base elástica (livre para oscilar) foram feitas com apenas um grau de liberdade: a direção transversal ao escoamento incidente (eixo y no caso estudado). O resultado mais importante deste tipo de configuração, do ponto de vista prático (projetos de \"risers\", e outras estruturas cilíndricas), é a curva max A / D versus r V , isto, devido à dependência da vida útil destas estruturas à máxima amplitude de oscilação. Para reproduzir a curva max A / D versus r V , foram escolhidos os seguintes valores de velocidade reduzida: 1.0, 2.0, 3.0, 3.5, 4.0, 4.5, 5.0, 6.0, 7.0, 8.0, 9.0, e 10.0. / The goal of this work is to study through numerical simulations using the Spectral Elements Method the two-dimensional the flow past a single circular cylinder that is either in simple harmonic cross-flow oscillation or elastically mounted. This is a very important topic for the technological environment because this configuration is identical to offshore structures, like risers of oil production platform and is also important to scientific environment due to the study of complex phenomena originated from the flow past a very simple geometry: a circular cylinder. The focus of this research is to evaluate the use of Spectral Element Method for solution of two-dimensional flow past a circular cylinder that is either in simple harmonic cross-flow oscillation or elastically mounted, at the laminar wake limit, Re < or = 200 . Two oscillation amplitudes were employed for the forced oscillations simulations: 0.15D e 0.40D . And, for each amplitude, were selected ten frequencies: 0.8 s f , 0.85 s f , 0.9 s f , 0.95 s f , 0.975 s f , 0.9875 s f , 1.025 s f , 1.05 s f , 1.075 s f e 1.1 s f ; where D is the cylinder diameter and s f is the vortex shedding frequency. The phase jump phenomenon, e.g., the fast change of phase angle, is observed and compared with existents works evaluating the Spectral Elements Method for forced oscillations cases. In the elastically mounted simulations the most important result, for the practical point of view (risers design), is the max A / D x r V curve, e.g., maximum amplitude versus velocity ratio, due to the relation of risers lifetime with maximum oscillation amplitude. To build the max A / D x r V curve were selected the follow values of velocity ratio: 1.0, 2.0, 3.0, 3.5, 4.0, 4.5, 5.0, 6.0, 7.0, 8.0, 9.0, e 10.0.

The time-dependent Schrödinger equation (TDSE) models the quantum nature of molecular processes.  Numerical simulations based on the TDSE help in understanding and predicting the outcome of chemical reactions. This thesis is dedicated to the derivation and analysis of efficient and reliable simulation tools for the TDSE, with a particular focus on models for the interaction of molecules with time-dependent electromagnetic fields. Various time propagators are compared for this setting and an efficient fourth-order commutator-free Magnus-Lanczos propagator is derived. For the Lanczos method, several communication-reducing variants are studied for an implementation on clusters of multi-core processors. Global error estimation for the Magnus propagator is devised using a posteriori error estimation theory. In doing so, the self-adjointness of the linear Schrödinger equation is exploited to avoid solving an adjoint equation. Efficiency and effectiveness of the estimate are demonstrated for both bounded and unbounded states. The temporal approximation is combined with adaptive spectral elements in space. Lagrange elements based on Gauss-Lobatto nodes are employed to avoid nondiagonal mass matrices and ill-conditioning at high order. A matrix-free implementation for the evaluation of the spectral element operators is presented. The framework uses hybrid parallelism and enables significant computational speed-up as well as the solution of larger problems compared to traditional implementations relying on sparse matrices. As an alternative to grid-based methods, radial basis functions in a Galerkin setting are proposed and analyzed. It is found that considerably higher accuracy can be obtained with the same number of basis functions compared to the Fourier method. Another direction of research presented in this thesis is a new algorithm for quantum optimal control: The field is optimized in the frequency domain where the dimensionality of the optimization problem can drastically be reduced. In this way, it becomes feasible to use a quasi-Newton method to solve the problem. / eSSENCE

Depuis plus de deux décennies, I'enregistrement des signaux hydroacoustiques par des hydrophones dans le canal SOFAR (SOund Fixing And Ranging) a permis la détection et la localisation de nombreux séismes de faible magnitude dans I'océan. Cependant, I'interprétation de ces signaux est actuellement incomplète. La complexité de la conversion des ondes sismiques en ondes acoustiques, appelées « ondes T », au niveau du plancher océanique, et de leur propagation dans la tranche d'eau n'est pas intégralement comprise et ne permet pas d'extraire beaucoup d'informations sur les séismes à leur origine. Une simulation numérique de ces signaux est proposée pour identifier et comprendre les paramètres environnementaux et les phénomènes majeurs entrant en jeu dans la génération des ondes T. L'approche proposée est la méthode des éléments spectraux, mise en œuvre dans le code SPECFEM2D. Cette approche s'avère adaptée à cet usage car elle permet d'aborder le phénomène de la génération et la propagation des ondes T dans son ensemble en tenant compte ses principales caractéristiques : le couplage fluide/solide (propagation sismique, conversion, et propagation acoustique), les profils de vitesse d'onde dans I'eau et dans la croute, et le tenseur des moments sismiques donnant le diagramme de radiation de la source. Les signaux simulés présentent des formes, des durées, des temps d'arrivée, et des amplitudes relatives tout à fait comparables aux enregistrements réels. Les différences observées proviennent sans doute du traitement 2D du problème et d'une représentation trop simpliste des environnements et de la source sismique. / For more than 2 decades, recording of hydroacoustic signals in the sopen channel (Sound Fixing And Ranging) has allowed the detection and localization of many low-magnitude earthquakes in the ocean. However the interpretation of these signals is still incomplete.The generation of acoustic waves, known as T-waves, resulting from the conversion of seismic waves into acoustic waves at the sea-bottom, and their propagation in the water column are not yet fully understood, which prevents to extract more information about the earthquakes they originate from. Here, we use numerical modelling to identify and understand the main environmental parameters and phenomena that control the generation and propagation of acoustic T-waves in the ocean. The proposed approach is a spectral element method, implemented in the code SPECFEM2D, which allows to address the problem in a comprehensive way taking into account the solid/fluid coupling (seismic propagation, conversion, acoustic propagation), velocity profiles of the waves in the crust and the ocean, and the moment tensor of the earthquake that defines the radiation pattern of the seismic source. Simulated acoustic signals present many similarities in the shape, duration, arrival times and amplitudes of the predicted T-waves with observed T-waves. Differences are likely due to the 2D representation of the problem and to the simplistic representation of the environment and of the seismic source.

Le comportement nonlinéaire des sols observé lors des mouvements sismiques forts est maintenant bien admis et le déploiement des puits accélérométriques a permis des analyses détaillées de la propagation des ondes ainsi qu’une évaluation quantitative des paramètres physiques tels que la vitesse de cisaillement et de compression des ondes et les facteurs d’amortissements en fonction de la déformation. En dépit du nombre grandissant d’études sur ce phénomène, sa connaissance est encore récente et les recherches sur les données de puits accélérométriques restent une étape importante vers la compréhension du comportement complexe in-situ des sédiments soumis à des mouvements sismiques forts.L’objectif de ces travaux est triple. Premièrement, un code d’inversion par algorithme génétique est développé afin d’inverser des données de puits accélérométriques via la théorie des matrices de propagation de Thomson-Haskell. Cette technique nous permet dans un premier temps de valider la structure en une dimension (1D) (e.g., vitesse des ondes de cisaillement, facteurs d’ amortissements) d’un puits accélérométrique dans le domaine linéaire et dans un second temps de mettre en évidence de manière quantitative le comportement nonlinéaire des sédiments lors du séisme de Fukuoka, 2005, Japon. Deuxièmement, les résultats de l’inversion sont utilisés pour tester des lois de comportement simples et avancées en utilisant la Méthode des éléments Finis. Les résultats montrent clairement que l’hypothèse bi-linéaire de la loi de comportement simple produit des séries temporelles non réalistes en vitesse et en accélération. L’utilisation d’une loi de comportement avancée mène à de meilleurs résultats, cependant, le nombre de paramètres ajustables pour obtenir des résultats consistants avec l’observation est un obstable inévitable. Troisièmement, afin d’étendre l’étude des effets de site à des dimensions supérieures, des codes 2D et 3D de la Méthode en éléments Spectraux sont développés et validés en comparant leurs résultats dans le domaine linéaire avec ceux obtenus théoriquement ou via d’autres méthodes numériques. / Nonlinear behavior of soft soils observed during strong ground motions isnow well established and the deployment of vertical arrays (i.e., boreholestations) has contributed to detailed wave propagation analyses and the assessmentfor quantitative physical parameters such as shear-wave velocity,pressure-wave velocity and damping factors with respect to shear strain levels.Despite the growing number of studies on this phenomena, its knowledgeis still recent and research on borehole station data remains an importantstep toward the understanding of the complex in-situ behavior of soft sedimentssubjected to strong ground motions.The purpose of this work is threefold. First, an inversion code by geneticalgorithm is developed in order to inverse borehole stations data viathe Thomson-Haskell propagator matrix method. This technique allows usto validate the one-dimensional (1D) structure (e.g., shear-wave velocity,damping factors) of a borehole in the linear elastic domain and to showquantitative evidence of the nonlinear behavior of the soft sediments duringthe 2005 Fukuoka Prefecture western offshore earthquake, Japan. Second,the results of the inversion are used in order to test simple and advancedconstitutive laws using the Finite Elements Method. The results clearlyshow that the bi-linear assumption of the simple constitutive law producesunrealistic velocity and acceleration time histories. The use of the advancedconstitutive law leads to better results, however, the number of parametersto be tuned in order to obtain results consistent with the observation is anunavoidable obstacle. Third, in order to extend the study of site effects tohigher dimensions, 2D and 3D codes of the very efficient Spectral ElementsMethod are developed and validated by comparing their results in the lineardomain with those obtained theoretically or with other numerical methods.