_I The theory of impulsive di&reg / erential equations has become an important area of research in recent years. Linear equations, meanwhile, are fundamental in most branches of applied mathematics, science, and technology. The theory of higher order linear impulsive equations, however, has not been studied as much as the cor- responding theory of ordinary di&reg / erential equations. In this work, higher order linear impulsive equations at &macr / xed moments of impulses together with certain boundary conditions are investigated by making use of a Green&#039 / s formula, constructed for piecewise di&reg / erentiable functions. Existence and uniqueness of solutions of such boundary value problems are also addressed. Properties of Green&#039 / s functions for higher order impulsive boundary value prob- lems are introduced, showing a striking di&reg / erence when compared to classical bound- ary value problems of ordinary di&reg / erential equations. Necessarily, instead of an or- dinary Green&#039 / s function there corresponds a sequence of Green&#039 / s functions due to impulses. Finally, as a by-product of boundary value problems, eigenvalue problems for higher order linear impulsive di&reg / erential equations are studied. The conditions for the existence of eigenvalues of linear impulsive operators are presented. Basic properties of eigensolutions of self-adjoint operators are also investigated. In particular, a necessary and su&plusmn / cient condition for the self-adjointness of Sturm-Liouville opera- tors is given. The corresponding integral equations for boundary value and eigenvalue problems are also demonstrated in the present work.

Conselho Nacional de Desenvolvimento Científico e Tecnológico / Nesta dissertação o método espectronodal SD-SGF-CN, cf. spectral diamond spectral Green's function - constant nodal, é utilizado para a determinação dos fluxos angulares médios nas faces dos nodos homogeneizados em domínio heterogêneo. Utilizando esses resultados, desenvolvemos um algoritmo para a reconstrução intranodal da solução numérica visto que, em cálculos de malha grossa, soluções numéricas mais localizadas não são geradas. Resultados numéricos são apresentados para ilustrar a precisão do algoritmo desenvolvido. / In this dissertation the spectral nodal method SD-SGF-CN, cf. spectral diamond spectral Green's function - constant nodal, is used to determine the angular fluxes averaged along the edges of the homogenized nodes in heterogeneous domains. Using these results, we developed an algorithm for the reconstruction of the node-edge average angular fluxes within the nodes of the spatial grid set up on the domain, since more localized numerical solutions are not generated by coarse-mesh numerical methods. Numerical results are presented to illustrate the accuracy of the algorithm we offer.

Conselho Nacional de Desenvolvimento Científico e Tecnológico / Nesta dissertação o método espectronodal SD-SGF-CN, cf. spectral diamond spectral Green's function - constant nodal, é utilizado para a determinação dos fluxos angulares médios nas faces dos nodos homogeneizados em domínio heterogêneo. Utilizando esses resultados, desenvolvemos um algoritmo para a reconstrução intranodal da solução numérica visto que, em cálculos de malha grossa, soluções numéricas mais localizadas não são geradas. Resultados numéricos são apresentados para ilustrar a precisão do algoritmo desenvolvido. / In this dissertation the spectral nodal method SD-SGF-CN, cf. spectral diamond spectral Green's function - constant nodal, is used to determine the angular fluxes averaged along the edges of the homogenized nodes in heterogeneous domains. Using these results, we developed an algorithm for the reconstruction of the node-edge average angular fluxes within the nodes of the spatial grid set up on the domain, since more localized numerical solutions are not generated by coarse-mesh numerical methods. Numerical results are presented to illustrate the accuracy of the algorithm we offer.

In this thesis, a new method is followed to design an active control system which imparts viscoelastic phenomenological damping in an elastic structure. Properties of a hypothetical viscoelastic system are used to design an active feedback controller for an undamped structural system with distributed sensor, actuator and controller. The variational structure is projected on a solution space of a closed-loop system involving a weakly damped structure with distributed sensor and actuator with controller. These controller components assign the phenomenology based on internal strain rate damping parameter of a viscoelastic system to the undamped elastic structure. An elastic cantilever beam with proportional-derivative controller and displacement feedback is considered in all the design formulations. In the first part of the research, a closed-loop control system is designed using two time domain modern control system design methods, pole placement and optimal pole placement, which use viscoelastic damping parameter. Equation of motion of a viscoelastic system is employed to synthesize the desired closed-loop poles. Desired poles are then assigned to an elastic beam with an active controller. Time domain finite element formulation is used without considering actuator-sensor dynamics and the effect of transducer locations. Characteristics of closed-loop system gains are found as a function of desired damping parameter and realization of damping have been analyzed with closed loop system pole positions. The next part consists of a novel frequency domain active control system design to impart desired viscoelastic characteristics, which uses spectral method and the exact dynamic stiffness matrix of the system. In the first case, a sub-optimal local control system for a cantilever beam, with collocated actuator and sensor is designed. In the second case, a closed-loop local controller for an elastic system with non-collocated transducers is designed. Next, a global controller for non-collocated arrangement of sensor-actuator is designed by considering all the degrees-of freedom in the system, which leads to solving an eigenvalue problem. The reason for the failure of the collocated arrangement in global control is also explained. In this novel control system design method transducer dynamics and locations are considered in the formulation. In frequency domain design, the frequency responses of the system show satisfactory performance of the closed-loop elastic system. The closed-loop system is able to reproduce the desired viscoelastic characteristics as targeted in the design. Optimal and sub-optimal system gains are found as functions of transducer locations, transducer properties, excitation frequency and internal strain rate damping parameter of a hypothetical viscoelastic system. Performance of the closed loop system is established by comparing the specific damping capacity of the hypothetical viscoelastic system with that of the closed-loop elastic system. The novel frequency domain method is simple, accurate, efficient and can be extended to complex structures to achieve desired damping. The method can be a better way of designing structures with variable stiffness which has research potential in designing morphing airplanes/spacecrafts. The ultimate goal of this research is that, if this design method is applied to practical applications such as aircraft wings, where vibration is undesirable, one would be able to achieve strength and desired damping characters simultaneously.

This thesis is concerned with the finite element analysis and the a posteriori error estimation for eigenvalue problems for general operator pencils on two-dimensional manifolds. A specific application of the presented theory is the computation of corner singularities. Engineers use the knowledge of the so-called singularity exponents to predict the onset and the propagation of cracks. All results of this thesis are explained for two model problems, the Laplace and the linear elasticity problem, and verified by numerous numerical results.

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Comme la puissance de calcul des systèmes de calcul haute performance continue de croître, en utilisant un grand nombre de cœurs CPU ou d’unités de calcul spécialisées, les applications hautes performances destinées à la résolution des problèmes de très grande échelle sont de plus en plus sujettes à des pannes. En conséquence, la communauté de calcul haute performance a proposé de nombreuses contributions pour concevoir des applications tolérantes aux pannes. Cette étude porte sur une nouvelle classe d’algorithmes numériques de tolérance aux pannes au niveau de l’application qui ne nécessite pas de ressources supplémentaires, à savoir, des unités de calcul ou du temps de calcul additionnel, en l’absence de pannes. En supposant qu’un mécanisme distinct assure la détection des pannes, nous proposons des algorithmes numériques pour extraire des informations pertinentes à partir des données disponibles après une pannes. Après l’extraction de données, les données critiques manquantes sont régénérées grâce à des stratégies d’interpolation pour constituer des informations pertinentes pour redémarrer numériquement l’algorithme. Nous avons conçu ces méthodes appelées techniques d’Interpolation-restart pour des problèmes d’algèbre linéaire numérique tels que la résolution de systèmes linéaires ou des problèmes aux valeurs propres qui sont indispensables dans de nombreux noyaux scientifiques et applications d’ingénierie. La résolution de ces problèmes est souvent la partie dominante; en termes de temps de calcul, des applications scientifiques. Dans le cadre solveurs linéaires du sous-espace de Krylov, les entrées perdues de l’itération sont interpolées en utilisant les entrées disponibles sur les nœuds encore disponibles pour définir une nouvelle estimation de la solution initiale avant de redémarrer la méthode de Krylov. En particulier, nous considérons deux politiques d’interpolation qui préservent les propriétés numériques clés de solveurs linéaires bien connus, à savoir la décroissance monotone de la norme-A de l’erreur du gradient conjugué ou la décroissance monotone de la norme résiduelle de GMRES. Nous avons évalué l’impact du taux de pannes et l’impact de la quantité de données perdues sur la robustesse des stratégies de résilience conçues. Les expériences ont montré que nos stratégies numériques sont robustes même en présence de grandes fréquences de pannes, et de perte de grand volume de données. Dans le but de concevoir des solveurs résilients de résolution de problèmes aux valeurs propres, nous avons modifié les stratégies d’interpolation conçues pour les systèmes linéaires. Nous avons revisité les méthodes itératives de l’état de l’art pour la résolution des problèmes de valeurs propres creux à la lumière des stratégies d’Interpolation-restart. Pour chaque méthode considérée, nous avons adapté les stratégies d’Interpolation-restart pour régénérer autant d’informations spectrale que possible. Afin d’évaluer la performance de nos stratégies numériques, nous avons considéré un solveur parallèle hybride (direct/itérative) pleinement fonctionnel nommé MaPHyS pour la résolution des systèmes linéaires creux, et nous proposons des solutions numériques pour concevoir une version tolérante aux pannes du solveur. Le solveur étant hybride, nous nous concentrons dans cette étude sur l’étape de résolution itérative, qui est souvent l’étape dominante dans la pratique. Les solutions numériques proposées comportent deux volets. A chaque fois que cela est possible, nous exploitons la redondance de données entre les processus du solveur pour effectuer une régénération exacte des données en faisant des copies astucieuses dans les processus. D’autre part, les données perdues qui ne sont plus disponibles sur aucun processus sont régénérées grâce à un mécanisme d’interpolation. / As the computational power of high performance computing (HPC) systems continues to increase by using huge number of cores or specialized processing units, HPC applications are increasingly prone to faults. This study covers a new class of numerical fault tolerance algorithms at application level that does not require extra resources, i.e., computational unit or computing time, when no fault occurs. Assuming that a separate mechanism ensures fault detection, we propose numerical algorithms to extract relevant information from available data after a fault. After data extraction, well chosen part of missing data is regenerated through interpolation strategies to constitute meaningful inputs to numerically restart the algorithm. We have designed these methods called Interpolation-restart techniques for numerical linear algebra problems such as the solution of linear systems or eigen-problems that are the inner most numerical kernels in many scientific and engineering applications and also often ones of the most time consuming parts. In the framework of Krylov subspace linear solvers the lost entries of the iterate are interpolated using the available entries on the still alive nodes to define a new initial guess before restarting the Krylov method. In particular, we consider two interpolation policies that preserve key numerical properties of well-known linear solvers, namely the monotony decrease of the A-norm of the error of the conjugate gradient or the residual norm decrease of GMRES. We assess the impact of the fault rate and the amount of lost data on the robustness of the resulting linear solvers.For eigensolvers, we revisited state-of-the-art methods for solving large sparse eigenvalue problems namely the Arnoldi methods, subspace iteration methods and the Jacobi-Davidson method, in the light of Interpolation-restart strategies. For each considered eigensolver, we adapted the Interpolation-restart strategies to regenerate as much spectral information as possible. Through intensive experiments, we illustrate the qualitative numerical behavior of the resulting schemes when the number of faults and the amount of lost data are varied; and we demonstrate that they exhibit a numerical robustness close to that of fault-free calculations. In order to assess the efficiency of our numerical strategies, we have consideredan actual fully-featured parallel sparse hybrid (direct/iterative) linear solver, MaPHyS, and we proposed numerical remedies to design a resilient version of the solver. The solver being hybrid, we focus in this study on the iterative solution step, which is often the dominant step in practice. The numerical remedies we propose are twofold. Whenever possible, we exploit the natural data redundancy between processes from the solver toperform an exact recovery through clever copies over processes. Otherwise, data that has been lost and is not available anymore on any process is recovered through Interpolationrestart strategies. These numerical remedies have been implemented in the MaPHyS parallel solver so that we can assess their efficiency on a large number of processing units (up to 12; 288 CPU cores) for solving large-scale real-life problems.

This thesis considers the hydrodynamic instability and optimal forcing of a number of incompressible flow cases. In the first part, the instabilities of three problems that are of great interest in energy and aerospace applications are studied, namely a Blasius boundary layer subject to localized wall-suction, a Falkner–Skan–Cooke boundary layer with a localized surface roughness, and a pair of helical vortices. The two boundary layer flows are studied through spectral element simulations and eigenvalue computations, which enable their long-term behavior as well as the mechanisms causing transition to be determined. The emergence of transition in these cases is found to originate from a linear flow instability, but whereas the onset of this instability in the Blasius flow can be associated with a localized region in the vicinity of the suction orifice, the instability in the Falkner–Skan–Cooke flow involves the entire flow field. Due to this difference, the results of the eigenvalue analysis in the former case are found to be robust with respect to numerical parameters and domain size, whereas the results in the latter case exhibit an extreme sensitivity that prevents domain independent critical parameters from being determined. The instability of the two helices is primarily addressed through experiments and analytic theory. It is shown that the well known pairing instability of neighboring vortex filaments is responsible for transition, and careful measurements enable growth rates of the instabilities to be obtained that are in close agreement with theoretical predictions. Using the experimental baseflow data, a successful attempt is subsequently also made to reproduce this experiment numerically. In the second part of the thesis, a novel method for computing the optimal forcing of a dynamical system is developed. The method is based on an application of the inverse power method preconditioned by the Laplace preconditioner to the direct and adjoint resolvent operators. The method is analyzed for the Ginzburg–Landau equation and afterwards the Navier–Stokes equations, where it is implemented in the spectral element method and validated on the two-dimensional lid-driven cavity flow and the flow around a cylinder. / <p>QC 20171124</p>

In dieser Arbeit werden verschiedene Ansätze untersucht, um Tensorzerlegungsmethoden auf die Full-Configuration-Interaction-Methode (FCI) anzuwenden. Das Ziel dieser Ansätze ist es, zuverlässig konvergierende Algorithmen zu erstellen, welche es erlauben, die Wellenfunktion effizient im Canonical-Product-Tensorformat (CP) zu approximieren. Hierzu werden drei Ansätze vorgestellt, um die FCI-Wellenfunktion zu repräsentieren und darauf basierend die benötigten Koeffizienten zu bestimmen. Der erste Ansatz beruht auf einer Entwicklung der Wellenfunktion als Linearkombination von Slaterdeterminanten, bei welcher in einer Hierarchie ausgehend von der Hartree-Fock-Slaterdeterminante sukzessive besetzte Orbitale durch virtuelle Orbitale ersetzt werden. Unter Nutzung von Tensorrepräsentationen im CP wird ein lineares Gleichungssystem gelöst, um die FCI-Koeffizienten zu bestimmen. Im darauf folgenden Ansatz, welcher an Direct-CI angelehnt ist, werden Tensorrepräsentationen der Hamiltonmatrix und des Koeffizientenvektors aufgestellt, welche zur Lösung des FCI-Eigenwertproblems erforderlich sind. Hier wird ein Algorithmus vorgestellt, mit welchem das Eigenwertproblem im CP gelöst wird. In einem weiteren Ansatz wird die Repräsentation der Hamiltonmatrix und des Koeffizientenvektors im Fockraum formuliert. Dieser Ansatz erlaubt die Lösung des FCI-Eigenwertproblems mit Hilfe verschiedener Algorithmen. Diese orientieren sich an den Rayleighquotienteniterationen oder dem Davidsonalgorithmus, wobei für den ersten Algorithmus eine zweite Version entwickelt wurde, wo die Rangreduktion teilweise durch Projektionen ersetzt wurde. Für den Davidsonalgorithmus ist ein breiteres Spektrum von Molekülen behandelbar und somit können erste Untersuchungen zur Skalierung und zu den zu erwartenden Fehlern vorgestellt werden. Schließlich wird ein Ausblick auf mögliche Weiterentwicklungen gegeben, welche eine effizientere Berechnung ermöglichen und somit FCI im CP auch für größere Moleküle zugänglich macht. / In this thesis, various approaches are investigated to apply tensor decomposition methods to the Full Configuration Interaction method (FCI). The aim of these approaches is the development of algorithms, which converge reliably and which permit to approximate the wave function efficiently in the Canonical Product format (CP). Three approaches are introduced to represent the FCI wave function and to obtain the corresponding coefficients. The first approach ist based on an expansion of the wave function as a linear combination of slater determinants. In this hierarchical expansion, starting from the Hartree Fock slater determinant, the occupied orbitals are substituted by virtual orbitals. Using tensor representations in the CP, a linear system of equations is solved to obtain the FCI coefficients. In a further approach, tensor representations of the Hamiltonian matrix and the coefficient vectors are set up, which are required to solve the FCI eigenvalue problem. The tensor contractions and an algorithm to solve the eigenvalue problem in the CP are explained her in detail. In the next approach, tensor representations of the Hamiltonian matrix and the coefficient vector are constructed in the Fock space. This approach allows the application of various algorithms. They are based on the Rayleight Quotient Algorithm and the Davidson algorithm and for the first one, there exists a second version, where the rank reduction algorithm is replaced by projections. The Davidson algorithm allows to treat a broader spectrum of molecules. First investigations regarding the scaling behaviour and the expectable errors can be shown for this approach. Finally, an outlook on the further development is given, that allows for more efficient calculations and makes FCI in the CP accessible for larger molecules.