This thesis deals with gradient calculation in triangulation nodes using weighted average of gradients of neighboring elements. This gradient is then used for a posteriori error estimation which produce better solution of partial differential equations. This work presents two common methods - Finite elements method and Finite difference method.

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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.

When the finite element method is used to solve boundary value problems, the corresponding finite element mesh is appropriate if it is reflects the behavior of the true solution. A posteriori error estimators are suited to construct adequate meshes. They are useful to measure the quality of an approximate solution and to design adaptive solution algorithms. Singularly perturbed problems yield in general solutions with anisotropic features, e.g. strong boundary or interior layers. For such problems it is useful to use anisotropic meshes in order to reach maximal order of convergence. Moreover, the quality of the numerical solution rests on the robustness of the a posteriori error estimation with respect to both the anisotropy of the mesh and the perturbation parameters. There exist different possibilities to measure the a posteriori error in the energy norm for the singularly perturbed reaction-diffusion equation. One of them is the equilibrated residual method which is known to be robust as long as one solves auxiliary local Neumann problems exactly on each element. We provide a basis for an approximate solution of the aforementioned auxiliary problem and show that this approximation does not affect the quality of the error estimation. Another approach that we develope for the a posteriori error estimation is the hierarchical error estimator. The robustness proof for this estimator involves some stages including the strengthened Cauchy-Schwarz inequality and the error reduction property for the chosen space enrichment. In the rest of the work we deal with adaptive algorithms. We provide an overview of the existing methods for the isotropic meshes and then generalize the ideas for the anisotropic case. For the resulting algorithm the error reduction estimates are proven for the Poisson equation and for the singularly perturbed reaction-difussion equation. The convergence for the Poisson equation is also shown. Numerical experiments for the equilibrated residual method, for the hierarchical error estimator and for the adaptive algorithm confirm the theory. The adaptive algorithm shows its potential by creating the anisotropic mesh for the problem with the boundary layer starting with a very coarse isotropic mesh.

Der Beitrag stellt eine Verallgemeinerung der Ergebnisse dar, die in den Informationen/07; 1976,05 veröffentlicht wurden. Sei F_n(x) die Verteilungsfunktion der Summe X_1+X_2+...+X_n, wobei X_1, X_2, ...,X_n unabhängige und nicht notwendig identisch verteilte Zufallsgrößen mit endlichen absoluten Momenten c_m, m>2, sind, und sei Phi die standardisierte Normalverteilungsfunktion. Es werden absolute Konstanten L_m derart berechnet, dass wir Fehlerabschätzungen im unleichmäßigen zentralen Grenzwertsatz explizit angeben können. Als Spezialfall ergibt sich die ungleichmäßige Fehlerschranke von A.BIKELIS (1966) im Fall der Existenz dritter absoluter Momente. Weiterhin werden Grenzwertsätze unter Voraussetzung einseitiger Momente betrachtet. Es werden einige Literaturhinweise angegeben.:1. Grenzwertsätze für verschieden verteilte Zufallsgrößen S. 1 2. Grenzwertsätze unter Voraussetzung einseitiger Momente S. 6 3. Beweise zum Abschnitt 1 S. 7 4. Beweise zum Abschnitt 2 S. 14 Literatur S. 16 / The paper is a generalization of the results, published by the author in Informationen/07; 1976,05. Let F_n(x) be the cdf of X_1+X_2+...+X_n, where X_1, X_2, ...,X_n are non iid random variables with m-th absolute moment c_m, m>2, and Phi the cdf of the unit normal law. Explicit universal constants L_m are computed such that we have some error estimates in the nonuniform central limit theorem. A special case is the nonuniform error bound by A.BIKELIS (1966) in the case of existence of third absolute moments. Furthermore limit theorems with assumption of onesided moments are considered. Some references are given.:1. Grenzwertsätze für verschieden verteilte Zufallsgrößen S. 1 2. Grenzwertsätze unter Voraussetzung einseitiger Momente S. 6 3. Beweise zum Abschnitt 1 S. 7 4. Beweise zum Abschnitt 2 S. 14 Literatur S. 16

Le sujet de la thèse porte sur la mise en place d’approches numériques avancées pour la simulation et l’optimisation de structures mécaniques présentant une géométrie complexe. Il se focalise sur l’analyse isogéométrique (IGA) qui a reçu beaucoup d’intérêt cette dernière décennie dû à sa grande flexibilité, précision, et robustesse dans de nombreux contextes industriels comparé à la méthode des éléments finis (FEA) classique. En particulier, la technologie IGA fournit un lien direct avec les logiciels de CAO (les mêmes fonctions sont utilisées pour la représentation de la géométrie et l’analyse numérique) et facilite les procédures de maillage.Dans ce contexte, et comme première partie du travail, une méthode de vérification basée sur la dualité et le concept d’erreur en relation de comportement (ERC) est proposé. Il permet d’obtenir des estimateurs d’erreur a posteriori à la fois garantis et entièrement calculables pour les solutions numériques issues de simulation par IGA. Ces estimateurs, valables pour une large gamme de modèles linéaires ou non-linéaires en mécanique des structures, constituent donc des outils performants et utiles pour le contrôle quantitatif de la qualité numérique et pour la conduite de procédures adaptatives. Un intérêt particulier est porté sur la construction de champs équilibrés, qui est un point clé du concept ERC, et qui jusqu’à présent était essentiellement développée dans le cadre de la méthode des éléments finis. L’extension au contexte IGA nécessite d’aborder plusieurs problèmes techniques, liés à l’utilisation de fonctions de base B-Spline/NURBS. Le concept ERC est aussi mis en oeuvre avec les techniques d’adjoint pour faire de l’estimation d’erreur sur des quantités d’intérêt.Dans une seconde partie du travail, la technologie IGA est couplée avec une procédure de réduction de modèle pour obtenir des solutions certifiées, et en temps réel, de problèmes avec une géométrie paramétrée. Après avoir défini le paramétrage sur la transformation permettant de passer de l’espace paramétrique IGA à l’espace physique, un modèle réduit basé sur la technique PGD (Proper Generalized Decomposition) est introduit pour résoudre le problème multi-dimensionnel. Avec une stratégie hors-ligne/en-ligne, la procédure permet alors de décrire l’ensemble des solutions paramétrées avec un coût de calcul réduit, et de faire de l’optimisation de forme en temps réel. Ici encore, l’estimation a posteriori des diverses sources d’erreur venant de la discrétisation et de la réduction de modèle PGD est menée à partir du concept ERC. Cela permet de contrôler la qualité de la solution PGD approchée (globalement ou sur des quantités d’intérêt), pour toute configuration géométrique, et de nourrir un algorithme adaptatif qui optimise l’effort de calcul pour une tolérance d’erreur donnée.Le travail de recherche dans son ensemble fournit donc des outils pertinents et pratiques pour les activités de simulation en ingénierie mécanique. Le potentiel et les performances de ces outils sont montrés à travers plusieurs exemples numériques impliquant des problèmes académiques et industriels, et des modèles linéaires et non-linéaires (endommagement). / The topic of the PhD thesis deals with the construction of advanced numerical approaches for the simulation and optimization of mechanical structures with complex geometry. It focuses on the Isogeometric Analysis (IGA) technology which has received much attention of the last decade due to its increased flexibility, accuracy, and robustness in many engineering simulations compared to classical Finite Element Analysis (FEA). In particular, IGA enables a direct link with CAD software (the same functions are used for both analysis and geometry) and facilitates meshing procedures.In this framework, and as a first part of the work, a verification method based on duality and the concept of Constitutive Relation Error (CRE) is proposed. It enables to derive guaranteed and fully computable a posteriori error estimates on the numerical solution provided by IGA. Such estimates, which are valid for a wide class of linear or nonlinear structural mechanics models, thus constitute performing and useful tools to quantitatively control the numerical accuracy and drive adaptive procedures. The focus here is on the construction of equilibrated flux fields, which is key ingredient of the CRE concept, and which was until now almost exclusively developed in the FEA framework alone. The extension to IGA requires to address some technical issues, due to the use of B-Spline/NURBS basis functions. The CRE concept is also implemented together with adjoint techniques in order to perform goal-oriented error estimation.In a second part, IGA is coupled with model reduction in order to get certified real-time solutions to problems with parameterized geometry. After defining the parametrization on the mapping from the IGA parametric space to the physical space, a reduced model based on the Proper Generalized Decomposition (PGD) is introduced to solve the multi-dimensional problem. From an offline/online strategy, the procedure then enables to describe the manifold of parametric solutions with reduced CPU cost, and to further perform shape optimization in real-time. Here again, a posteriori estimation of the various error sources inheriting from discretization and PGD model reduction is performed from the CRE concept. It enables to control the quality of the approximate PGD solution (globally or on outputs of interest), for any geometry configuration, and to feed a robust greedy algorithm that optimizes the computational effort for a prescribed error tolerance.The overall research work thus provides for reliable and practical tools in mechanical engineering simulation activities. Capabilities and performance of these tools are shown on several numerical experiments with academic and engineering problems, and with linear and nonlinear (damage) models.

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[pt] Os protocolos de comunicação quântica são essenciais para a transmissão segura de informações, utilizando os princípios da mecânica quântica para alcançar uma segurança inatingível por sistemas criptográficos clássicos. Diferentemente dos métodos tradicionais que dependem de chaves criptográficas convencionais, os protocolos quânticos exploram propriedades únicas dos sistemas quânticos para garantir a segurança da comunicação. No entanto, a implementação prática da distribuição quântica de chaves (QKD) é desafiada por erros introduzidos durante a geração e transmissão de estados quânticos e pela possível presença de espiões. Esta dissertação explora algumas das estratégias mais usadas para estimativa de erros, correção de erros e amplificação de privacidade em sistemas de QKD. Por meio de uma revisão bibliográfica e simulações abrangentes, o estudo avalia as técnicas mais eficazes em cada área. O objetivo final desta análise é desenvolver um método a ser implementado na Rede Rio Quântica, uma rede de comunicação quântica metropolitana que interliga as instituições PUC-Rio, CBPF e UFRJ por meio de fibras ópticas e a UFF através de um canal de espaço livre. Os resultados destacam a importância de otimizar as medidas de correção de erros e privacidade para melhorar a confiabilidade e a segurança das redes de comunicação quântica. / [en] Quantum communication protocols are essential for secure transmission of information, utilizing the principles of quantum mechanics to achieve security unattainable by classical cryptographic systems. Unlike traditional methods that rely on conventional cryptographic keys, quantum protocols exploit unique properties of quantum systems to ensure communication security. However, the practical implementation of quantum key distribution (QKD) is challenged by errors introduced during the generation and transmission of quantum states and the potential presence of eavesdroppers. This thesis explores some of the most commonly used strategies for error estimation, error reconciliation, and privacy amplification within QKD systems. Through a literature review and comprehensive simulations, the study evaluates the most effective techniques in each area. The ultimate goal of this analysis is to develop a method to be implemented on Rede Rio Quântica, a metropolitan quantum communication network interlinking the institutions PUC-Rio, CBPF and UFRJ via optical fibers and UFF through a free-space channel. The findings underscore the importance of optimizing error correction and privacy measures to enhance the reliability and security of quantum communication networks.

Esta dissertação trata do problema de processamento de Erros Grosseiros (EGs) com base na aplicação do chamado Índice de Não-Detecção de Erros, ou apenas UI (Undetectability Index), na análise dos resíduos do estimador de estado por mínimos quadrados ponderados. O índice UI foi desenvolvido recentemente e possibilita a classificação das medidas de acordo com as suas características de não refletirem grande parcela de seus erros nos resíduos daquele estimador. As medidas com maiores UIs são aquelas cujos erros são mais difíceis de serem detectados através de métodos que fazem uso da análise dos resíduos, pois grande parcela do erro dessas medidas não aparece no resíduo. Inicialmente demonstrou-se, nesta dissertação, que erros das estimativas das variáveis de estado em um sistema com EG não-detectável (em uma medida de alto índice UI) podem ser mais significativos que em medidas com EGs detectáveis (em medidas com índices UIs baixos). Justificando, dessa forma, a importância de estudos para tornar possível o processamento de EGs em medidas com alto índice UI. Realizou-se, então, nesta dissertação, diversas simulações computacionais buscando analisar a influência de diferentes ponderações de medidas no UI e também nos erros das estimativas das variáveis de estado. Encontrou-se, então, uma maneira que destacou-se como a mais adequada para ponderação das medidas. Por fim, ampliaram-se, nesta dissertação, as pesquisas referentes ao UI para um estimador de estado por mínimos quadrados ponderados híbrido. / This dissertation deals with the problem of Gross Errors processing based on the use of the so-called Undetectability Index, or just UI. This index was developed recently and it is capable to classify the measurements according to their characteristics of not reflecting their errors into the residuals of the weighted least squares state estimation process. Gross errors in measurements with higher UIs are very difficult to be detected by methods based on the residual analysis, as the errors in those measurements are masked, i.e., they are not reflected in the residuals. Initially, this dissertation demonstrates that a non-detectable gross error (error in a measurement with high UI) may affect more the accuracy of the estimated state variables than a detectable gross error (error in a measurement with low UI). Therefore, justifying the importance of studies that make possible gross errors processing in measurements with high UI. In this dissertation, several computational simulations are carried out to analyze the influence of different weights of measurements in the UI index and also in the accuracy of the estimated state variables. It is chosen a way that stood out as the most appropriate for weighing the measurements. Finally, in this dissertation, the studies referring to the UI is extended for a hybrid weighted least squares state estimator.