Multisymplectic integrators like Preissman and six-point schemes and a semi-explicit symplectic method are applied to the coupled nonlinear Schr&ouml / dinger equations (CNLSE). Energy, momentum and additional conserved quantities are preserved by the multisymplectic integrators, which are shown using modified equations. The multisymplectic schemes are backward stable and non-dissipative. A semi-explicit method which is symplectic in the space variable and based on linear-nonlinear, even-odd splitting in time is derived. These methods are applied to the CNLSE with plane wave and soliton solutions for various combinations of the parameters of the equation. The numerical results confirm the excellent long time behavior of the conserved quantities and preservation of the shape of the soliton solutions in space and time.

The analysis of wave propagation in hyperelastic waveguides has significant applications in various branches of engineering like Non-Destructive Testing and Evaluation, impact analysis, material characterization and damage detection. Linear elastic models are typically used for wave analysis since they are sufficient for many applications. However, certain solids exhibit inherent nonlinear material properties that cannot be adequately described with linear models. In the presence of large deformations, geometric nonlinearity also needs to be incorporated in the analysis. These two forms of nonlinearity can have significant consequences on the propagation of stress waves in solids. A detailed analysis of nonlinear wave propagation in solids is thus necessary for a proper understanding of these phenomena. The current research focuses on the development of novel algorithms for nonlinear finite element analysis of stress wave propagation in hyperelastic waveguides. A full three-dimensional(3D) finite element analysis of stress wave propagation in waveguides is both computationally difficult and expensive, especially in the presence of nonlinearities. By definition, waveguides are solids with special geometric features that channel the propagation of stress waves along certain preferred directions. This suggests the use of kinematic waveguide models that take advantage of the special geometric features of the waveguide. The primary advantage of using waveguide models is the reduction of the problem dimension and hence the associated computational cost. Elementary waveguide models like the Euler-Bernoulli beam model, Kirchoff plate model etc., which are developed primarily within the context of linear elasticity, need to be modified appropriately in the presence of material/geometric nonlinearities and/or loads with high frequency content. This modification, besides being non-trivial, may be inadequate for studying nonlinear wave propagation and higher order waveguide models need to be developed. However, higher order models are difficult to formulate and typically have complex governing equations for the kinematic modes. This reflects in the relatively scarce research on the development of higher order waveguide models for studying nonlinear wave propagation. The formulation is difficult primarily because of the complexity of both the governing equations and their linearization, which is required as part of a nonlinear finite element analysis. One of the primary contributions of this thesis is the development and implementation of a general, flexible and efficient framework for automating the finite element analysis of higher order kinematic models for nonlinear waveguides. A hierarchic set of higher order waveguide models that are compatible with this formulation are proposed for this purpose. This hierarchic series of waveguide models are similar in form to the kinematic assumptions associated with standard waveguide models, but are different in the sense that no conditions related to the stress distribution specific to a waveguide are imposed since that is automatically handled by the proposed algorithm. The automation of the finite element analysis is accomplished with a dexterous combination of a nodal degrees-of-freedom based assembly algorithm, automatic differentiation and a novel procedure for numerically computing the finite element matrices directly from a given waveguide model. The algorithm, however, is quite general and is also developed for studying nonlinear plane stress configurations and inhomogeneous structures that require a coupling of continuum and waveguide elements. Significant features of the algorithm are the automatic numerical derivation of the finite element matrices for both linear and nonlinear problems, especially in the context of nonlinear plane stress and higher order waveguide models, without requiring an explicit derivation of their algebraic forms, automatic assembly of finite element matrices and the automatic handling of natural boundary conditions. Full geometric nonlinearity and the hyperelastic form of material nonlinearity are considered in this thesis. The procedures developed here are however quite general and can be extended for other types of material nonlinearities. Throughout this thesis, It is assumed that the solids under investigation are homogeneous and isotropic. The subject matter of the research is developed in four stages: First, a comparison of different finite element discretization schemes is carried out using a simple rod model to choose the most efficient computational scheme to study nonlinear wave propagation. As part of this, the frequency domain Fourier spectral finite element method is extended for a special class of weakly nonlinear problems. Based on this comparative study, the Legendre spectral element method is identified as the most efficient computational tool. The efficiency of the Legendre spectral element is also illustrated in the context of a nonlinear Timoshenko beam model. Since the spectral element method is a special case of the standard nonlinear finite element Method, differing primarily in the choice of the element basis functions and quadrature rules, the automation of the standard nonlinear finite element method is undertaken next. The automatic finite element formulation and assembly algorithm that constitutes the most significant contribution of this thesis is developed as an efficient numerical alternative to study the physics of wave propagation in nonlinear higher order structural models. The development of this algorithm and its extension to a general automatic framework for studying a large class of problems in nonlinear solid mechanics forms the second part of this research. Of special importance are the automatic handling of nonlinear plane stress configurations, hierarchic higher order waveguide models and the automatic coupling of continuum and higher order structural elements using specially designed transition elements that enable an efficient means to study waveguides with local inhomogeneities. In the third stage, the automatic algorithm is used to study wave propagation in hyperelastic waveguides using a few higher order 1D kinematic models. Two variants of a particular hyperelastic constitutive law – the6-constantMurnaghanmodel(for rock like solids) and the 9-constant Murnaghan model(for metallic solids) –are chosen for modeling the material nonlinearity in the analysis. Finally, the algorithm is extended to study energy-momentum conserving time integrators that are derived within a Hamiltonian framework, thus illustrating the extensibility of the algorithm for more complex finite element formulations. In short, the current research deals primarily with the identification and automation of finite element schemes that are most suited for studying wave propagation in hyper-elastic waveguides. Of special mention is the development of a novel unified computational framework that automates the finite element analysis of a large class of problems involving nonlinear plane stress/plane strain, higher order waveguide models and coupling of both continuum and waveguide elements. The thesis, which comprises of 10 chapters, provides a detailed account of various aspects of hyperelastic wave propagation, primarily for 1D waveguides.

Thesis (Ph. D.)--University of Texas at Austin, 2007. / Vita. Includes bibliographical references.

The solution of stiff systems of Ordinary Differential Equations (ODEs), that typically arise after spatial discretization of many important evolutionary Partial Differential Equations (PDEs), constitutes a topic of wide interest in numerical analysis. A prominent way to numerically integrate such systems involves using exponential integrators. In general, these kinds of schemes do not require the solution of (non)linear systems but rather the action of the matrix exponential and of some specific exponential-like functions (known in the literature as φ-functions). In this PhD thesis we aim at presenting efficient tensor-based tools to approximate such actions, both from a theoretical and from a practical point of view, when the problem has an underlying Kronecker sum structure. Moreover, we investigate the application of exponential integrators to compute numerical solutions of important equations in various fields, such as plasma physics, mean-field optimal control and computational chemistry. In any case, we provide several numerical examples and we perform extensive simulations, eventually exploiting modern hardware architectures such as multi-core Central Processing Units (CPUs) and Graphic Processing Units (GPUs). The results globally show the effectiveness and the superiority of the different approaches proposed.

Neste trabalho, desenvolvemos um mapeamento simplético que nos permite estudar o comportamento dinâmico de ressonâncias asteroidais no âmbito do problema dos três corpos restrito, elíptico, espacial. Para obter este mapeamento, combinamos um esquema simplético similar ao desenvolvido por Hadjidemetriou (1986) junto com o desenvolvimento assimétrico da função perturbadora (Ferraz-Mello, 1987), que leva em conta as inclinações do perturbado e do perturbador como sendo referidas a um plano invariante (Roig et al., 1997). Este mapeamento é aplicado aos casos das ressonâncias asteroidais 2/1 e 3/2. Estudam-se um grande número de condições iniciais no espaço de fase, de forma a conseguir tirar conclusões de tipo estatístico sobre os processos envolvidos na geração de mecanismos difusivos que podem agir nessas ressonâncias. / In this work, we developed a symplectic mapping which allow us to study the dynamical behaviour of asteroidal resonances in the frame of the non-planar elliptic restricted three-body problem. To obtain such a mapping we combine a symplectic scheme similar to that of Hadjidemetriou (1986) together with an asymmetric expansion of the disturbing funtion (Ferraz-Mello, 1987) which takes into account the inclinations of both the perturber and the disturbed bodies (Roig et al., 1997). This mapping is applied to the 2/1 and 3/2 mean motion resonances in the asteroidal belt. We explore a wide range of initial conditions in the phase space in order to get a large number of results which allow us to make some statistical conclusions about the generation of diffusion mechanisms acting in these resonances.

The research investigates several critical design issues of continuous-time (CT) [Sigma Delta] modulators. The first is to investigate the sensitivity of CT [Sigma Delta] modulators to high-frequency clock spurs. These spurs down-convert the high-frequency quantization noise, degrading the dynamic range of the modulator. The second is to study the robustness of continuous-time loop filters under large RC product variations. Large RC variations in the CMOS process strongly degrade the performance of continuous-time [Sigma Delta] modulators, and reduce the production yield. The third is to model the harmonic distortion of one-bit continuous-time [Sigma Delta] modulators due to the interaction between the first integrator and the feedback digital-to-analog converter (DAC). A closed-form expression of the 3'rd-order harmonic distortion is derived and verified. Conventional CT [Sigma Delta] modulators employ all active integrators: each integrator needs an active amplifier. The research proposes a 5th-order continuous-time [Sigma Delta] modulator with a hybrid active-passive loop filter consisting of only three amplifiers. The passive integrators save power, and introduce no distortion. The active integrators provide gain and minimize internal noise contributions. A single-bit switched-capacitor DAC is employed as the main feedback DAC for high clock jitter immunity. An additional current steering DAC stabilizes the loop with the advantage of simplicity. To verify the proposed techniques, a prototype continuous-time [Sigma Delta] modulator with 2-MHz signal bandwidth is designed in a 0.25-¹m CMOS technology targeting for GPS or WCDMA applications. The experimental results show that the prototype modulator achieves 68-dB dynamic range over 2-MHz bandwidth with a 150-MHz clock, consuming 1.8 mA from a 1.5-V supply.

Approved for public release; distribution is unlimited. / MBA Professional Report / This project provides an analysis of the Army's acquisition of the Land Warrior (LW) Soldier System. Its objectives are to document the history of the LW and provide an overview of the program to establish the components of both it development and deployment and its associated business and management characteristics. The product is a document that provides an analysis of the actions taken and the obstacles encountered and how the materiel developers, warfighters, user representatives and lawmakers dealt with them. The LW was approved in 1993. The requirement was to provide improvements for dismounted soldiers in the five specific capabity caategories of lethality, command and control, mobility, survivability and sustainment. For a period lasting approximately 15 years, the LW has evolved. Despite this evolution, the Army in FY 2007 terminated it in FY 2007. Regardless, it has laid the foundation for follow-on soldier system initiatives. The LW was unsuccessfu initially due to the misalignment of three interrelated and supporting components; 1) technical immaturity, 2) poor user acceptance, and 3) lack of senior leadership support. Successes that are more recent can be attributed to: 1)soldier-driven design, 2) improved technical maturity, and 3) proven employment of the system in combat by warfighters.

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

Neste trabalho, desenvolvemos um mapeamento simplético que nos permite estudar o comportamento dinâmico de ressonâncias asteroidais no âmbito do problema dos três corpos restrito, elíptico, espacial. Para obter este mapeamento, combinamos um esquema simplético similar ao desenvolvido por Hadjidemetriou (1986) junto com o desenvolvimento assimétrico da função perturbadora (Ferraz-Mello, 1987), que leva em conta as inclinações do perturbado e do perturbador como sendo referidas a um plano invariante (Roig et al., 1997). Este mapeamento é aplicado aos casos das ressonâncias asteroidais 2/1 e 3/2. Estudam-se um grande número de condições iniciais no espaço de fase, de forma a conseguir tirar conclusões de tipo estatístico sobre os processos envolvidos na geração de mecanismos difusivos que podem agir nessas ressonâncias. / In this work, we developed a symplectic mapping which allow us to study the dynamical behaviour of asteroidal resonances in the frame of the non-planar elliptic restricted three-body problem. To obtain such a mapping we combine a symplectic scheme similar to that of Hadjidemetriou (1986) together with an asymmetric expansion of the disturbing funtion (Ferraz-Mello, 1987) which takes into account the inclinations of both the perturber and the disturbed bodies (Roig et al., 1997). This mapping is applied to the 2/1 and 3/2 mean motion resonances in the asteroidal belt. We explore a wide range of initial conditions in the phase space in order to get a large number of results which allow us to make some statistical conclusions about the generation of diffusion mechanisms acting in these resonances.

Le sujet de cette thèse est l'étude de la rotation à long terme des corps célestes.La première partie est consacrée à l’étude de la rotation à long terme de Cérès et Vesta, les deux corps les plus massifs de la ceinture principale d’astéroïdes. Ils sont l’objet d’étude de la sonde spatiale Dawn, qui a permis de déterminer précisément les caractéristiques physiques et de rotation nécessaires au calcul de leurs rotations. La distribution de glace sous et à la surface de Cérès dépend du mouvement de son axe de rotation par le biais de l’obliquité, inclinaison de l’équateur sur l’orbite. Les rotations de Cérès et Vesta étant rapides, l’évolution à long terme des axes de rotation de Cérès et Vesta a été obtenue à l'aide d'une intégration symplectique des équations de la rotation, où une moyenne a été réalisée sur la rotation propre rapide. La stabilité des axes de rotation de Cérès et Vesta a été étudiée en fonction des paramètres de la rotation avec un modèle séculaire semi-analytique, qui a permis de montrer que les axes de rotation ne présentaient pas de caractère chaotique.La seconde partie concerne le développement d'intégrateurs symplectiques dédiés au corps solide. L'intégration de la rotation propre d'un corps solide nécessite d’intégrer les équations issues du hamiltonien du corps solide libre. Ce hamiltonien est certes intégrable et présente une solution explicite nécessitant l’usage des fonctions elliptiques de Jacobi, cependant le coût numérique de ces fonctions est élevé. Lorsque le hamiltonien du corps solide libre est couplé avec une énergie potentielle, l’orientation du corps doit être calculée à chaque pas d’intégration, ce qui augmente le temps de calcul. Des intégrateurs symplectiques ont ainsi été précédemment proposés pour le corps solide libre. Dans ce travail, des intégrateurs spécifiques au corps solide ont été développés en utilisant les propriétés de l’algèbre de Lie du moment cinétique. / This thesis concerns the long-term rotation of celestial bodies.The first part is a study of the long-term rotation of Ceres and Vesta, the two heaviest bodies of the main asteroid belt. The spacescraft Dawn studied these two objects and determined the physical and rotational characteristics, which are necessary for the computation of their rotations. The ice distribution under and on the surface of Ceres depends on the evolution of the obliquity, which is the inclination of the equatorial plane on the orbital plane. As the rotations of Ceres and Vesta are fast, the long-term evolution of the spin axes of Ceres and Vesta was obtained by realizing a symplectic integration of the equations of the rotation averaged on the fast proper rotation. The stability of the spin axes of Ceres and Vesta was studied with respect to the parameters of the rotation with a secular and semi-analytical model, which allowed to show that the spin axes are not chaotic.The second part concerns the development of symplectic integrators dedicated to the rigid body. The integration of the proper rotation of a rigid body needs to integrate the equations given by the Hamiltonian of the free rigid body. This Hamiltonian is integrable and presents an explicit solution using the Jacobi elliptic functions. However, the numerical cost of these functions is high. When the Hamiltonian of the free rigid body is coupled to a potential energy, the orientation of the body is needed at each step, which increases the computation time. Symplectic integrators were then previously proposed for the free rigid body. In this work, symplectic integrators dedicated to the rigid body were developed using the properties of the Lie algebra of the angular momentum.