Variable resolution method helps to study the local scale phenomenon of interest within the context of global scale atmosphere/ocean dynamics. Global spectral methods based on spherical harmonics as basis functions are known to resolve a given function defined on the sphere, in an uniform manner. Though known for its mathematical elegance and higher order accuracy, global spectral methods are considered to be restrictive for developing mesh-refinement strategies. The only mesh refinement strategy available until now is due to the pioneering work of F. Schmidt. Schmidt transformation can study only one region with higher resolution. The study of tropical dynamics is an interesting theme due to the presence of teleconnections between various phenomena, especially Indian Monsoon and the El-Nino. The Inter-Tropical Convergence Zone (ITCZ)is a continental scale phenamenon. It is in the ITCZ, many monsoon systems and tropical cyclones do occur. To study such phenomena under variable resolution method, high resolution is required in the entire tropical belt. Hitherto such a kind of mesh refinement strategies were not available in global spectral models. In this work, a new variable resolution method is developed that can help to study the tropical sub-scale phenomena with high resolution, in global spectral models. A new conformal coordinate transformation named ’High resolution Tropical Belt Transformation(HTBT)’ is developed to generate high resolution in the entire tropical belt. Mathematical demonstrations are given to show the existence of additional conformal transformations available on the sphere, indicating additional degrees of freedom available to create variable resolution global spectral method. Variable resolution global spectral method with high resolution over tropics is created through HTBT. The restriction imposed by Schmidt’s framework that the map-ping factor of the transformation need to have a finite-decomposition in the spectral space of the transformed domain is relaxed, by introduction of a new framework. The new framework uses transformed spherical harmonics Bnm as basis for spectral computations. With the use of FFT algorithm and Gaussian quadrature, the efficiency of the traditional spectral method is retained with the variable resolution global spectral method. The newly defined basis functions Bnm are the eigenvalues of the transformed Laplacian operator . This property of Bnm provide an elegant direct solver for the transformed Helmholtz operator on the sphere. The transformed Helmholtz equations are solved accurately with the variable resolution method. Advection experiments conducted with variable resolution spectral transport scheme on the HTBT variable grid produces near-dispersion free advection on the tropical belt. Transport across homogeneous resolution regions produce very less dispersion errors. Transport of a feature over the poles result in severe grid representation errors. It is shown that an increase in resolution around the poles greatly reduces this error. Transport of a feature from a point close to poles but not over it, does not produce such representation errors. Fourth-order Runge-Kutta scheme improves the accuracy of the transport scheme. The second order Magazenkov time-scheme proves to be better accurate than the leap-frog scheme with Asselin filter. The non-divergent barotropic vorticity equation is tested with two exact solutions namely Rochas solution and Rossby-Haurwitz wave solutions. Each of the solution tests certain unique and contrasting characteristic of the system. The numerical behaviour of the solutions show non-linear interactions in them. The singularity at the poles, arising due to the unbounded nature of the latitudinal derivative of the map factor of HTBT, triggers Gibbs phenomena for certain functions. However the recent advances in spectral methods, especially spectral viscosity method and Boyd-Vandeven filtering strategy provide ways to control the Gibbs oscillation and recover higher accuracy; make the variable resolution global spectral method viable for accurate meteorological computations.

[pt] Campos vetoriais representam um papel principal em diversas aplicações científicas. Eles são comumente gerados via simulações computacionais. Essas simulações podem ser um processo custoso, dado que em muitas vezes elas requerem alto tempo computacional. Quando pesquisadores desejam quantificar a incerteza relacionada a esse tipo de aplicação, costuma-se gerar um conjunto de realizações de campos vetoriais, o que torna o processo ainda mais custoso. A Decomposição de Helmholtz-Hodge é uma ferramenta útil para a interpretação de campos vetoriais uma vez que ela distingue componentes conservativos (livre de rotação) de componentes que preservam massa (livre de divergente). No presente trabalho, vamos explorar a aplicabilidade de tal técnica na análise de incerteza de campos vetoriais 2D. Primeiramente, apresentaremos uma abordagem utilizando a Decomposição de Helmholtz-Hodge como uma ferramenta básica na análise de conjuntos de campos vetoriais. Dado um conjunto de campos vetoriais epsilon, obtemos os conjuntos formados pelos componentes livre de rotação, livre de divergente e harmônico, aplicando a Decomposição Natural de Helmholtz- Hodge em cada campo vetorial em epsilon. Com esses conjuntos em mãos, nossa proposta não somente quantifica, por meio de análise estatística, como cada componente é pontualmente correlacionado ao conjunto de campos vetoriais original, como também permite a investigação independente da incerteza relacionado aos campos livre de rotação, livre de divergente e harmônico. Em sequência, propomos duas técnicas que em conjunto com a Decomposição de Helmholtz-Hodge geram, de forma estocástica, campos vetoriais a partir de uma única realização. Por fim, propomos também um método para sintetizar campos vetoriais a partir de um conjunto, utilizando técnicas de Redução de Dimensionalidade e Projeção Inversa. Testamos os métodos propostos tanto em campos sintéticos quanto em campos numericamente simulados. / [en] Vector field plays an essential role in a large range of scientific applications. They are commonly generated through computer simulations. Such simulations may be a costly process because they usually require high computational time. When researchers want to quantify the uncertainty in such kind of applications, usually an ensemble of vector fields realizations are generated, making the process much more expensive. The Helmholtz-Hodge Decomposition is a very useful instrument for vector field interpretation because it traditionally distinguishes conservative (rotational-free) components from mass-preserving (divergence-free) components. In this work, we are going to explore the applicability of such technique on the uncertainty analysis of 2-dimensional vector fields. First, we will present an approach of the use of the Helmholtz-Hodge Decomposition as a basic tool for the analysis of a vector field ensemble. Given a vector field ensemble epsilon, we firstly obtain the corresponding rotational-free, divergence-free and harmonic component ensembles by applying the Natural Helmholtz-Hodge Decomposition to each1 vector field in epsilon. With these ensembles in hand, our proposal not only quantifies, via a statistical analysis, how much each component ensemble is point-wisely correlated to the original vector field ensemble, but it also allows to investigate the uncertainty of rotational-free, divergence-free and harmonic components separately. Then, we propose two techniques that jointly with the Helmholtz-Hodge Decomposition stochastically generate vector fields from a single realization. Finally, we propose a method to synthesize vector fields from an ensemble, using both the Dimension Reduction and Inverse Projection techniques. We test the proposed methods with synthetic vector fields as well as with simulated vector fields.

Cette thèse se focalise sur la compréhension et la prédiction des instabilités de combustion dans les systèmes à haute pression. Elle s'oriente autour de la simulation numérique d’un banc d'essai, opéré à l'université de Purdue, comprenant un injecteur caractéristique des moteurs-fusées et dont les propriétés acoustiques peuvent varier à l'aide d’un tube d'injection mobile. Une méthode d'initialisation et d'allumage pour les calculs LES de chambres de combustions terminées par une tuyère est présentée. Un point de fonctionnement instable est choisi pour étudier le mécanisme de l'instabilité. Les simulations sont comparées aux résultats expérimentaux en terme de fréquence et structure du mode instable. La fonction de transfert de flamme est calculée à l'aide du modèle n − τ puis implémentée dans un solveur acoustique (ne résolvant que les perturbations acoustiques à partir de l'équation de Helmholtz en écoulement réactif). Différents modèles d'impédance de tuyère, extraits de la littérature, sont comparés et leurs impacts sur les résultats de stabilité sont analysés. Le théorème d’impédance translatée est implémenté dans le solveur acoustique pour analyser, à faible coût de calcul, l’influence de la variation de la longueur du tube d'injection. Des écarts entre les fréquences prédites et celles trouvées expérimentalement subsistent mais la carte de stabilité de l’expérience est bien reproduite. / This thesis focuses on the understanding and the prediction of combustion instability in high-pressure devices. A model rocket combustor, tested experimentally at Purdue University, with continuously variable acoustic properties, thanks to a variable-length injector tube, is simulated. A method to initialize and ignite Large-Eddy-Simulation (LES) calculation of combustion chamber surrounded by nozzle is proposed. An unstable operating point is then chosen to investigate the mechanism of the instability. The simulations are compared to experimental results in terms of frequency and mode structure. The flame transfer function is calculated using the n − τ model to feed an acoustic solver which solves only the acoustic perturbation using a Helmholtz equation in reacting flows. The importance of the modeling of the nozzles impedance is studied through the main theories in the literature. The impedance translation theorem is implemented in the acoustic solver to analyze at low cost the influence of the variation of the injector tube. Despite differences in frequency of the instability, the stability map of the experiment is well reproduced.

Les travaux de ce doctorat concernent le développement de méthodes itératives pour la résolution de systèmes linéaires creux de grande taille comportant de nombreux seconds membres. L’application visée est la résolution d’un problème inverse en géophysique visant à reconstruire la vitesse de propagation des ondes dans le sous-sol terrestre. Lorsque de nombreuses sources émettrices sont utilisées, ce problème inverse nécessite la résolution de systèmes linéaires complexes non symétriques non hermitiens comportant des milliers de seconds membres. Dans le cas tridimensionnel ces systèmes linéaires sont reconnus comme difficiles à résoudre plus particulièrement lorsque des fréquences élevées sont considérées. Le principal objectif de cette thèse est donc d’étendre les développements existants concernant les méthodes de Krylov par bloc. Nous étudions plus particulièrement les techniques de déflation dans le cas multiples seconds membres et recyclage de sous-espace dans le cas simple second membre. Des gains substantiels sont obtenus en terme de temps de calcul par rapport aux méthodes existantes sur des applications réalistes dans un environnement parallèle distribué. / This PhD thesis concerns the development of flexible Krylov subspace iterative solvers for the solution of large sparse linear systems of equations with multiple right-hand sides. Our target application is the solution of the acoustic full waveform inversion problem in geophysics associated with the phenomena of wave propagation through an heterogeneous model simulating the subsurface of Earth. When multiple wave sources are being used, this problem gives raise to large sparse complex non-Hermitian and nonsymmetric linear systems with thousands of right-hand sides. Specially in the three-dimensional case and at high frequencies, this problem is known to be difficult. The purpose of this thesis is to develop a flexible block Krylov iterative method which extends and improves techniques already available in the current literature to the multiple right-hand sides scenario. We exploit the relations between each right-hand side to accelerate the convergence of the overall iterative method. We study both block deflation and single right-hand side subspace recycling techniques obtaining substantial gains in terms of computational time when compared to other strategies published in the literature, on realistic applications performed in a parallel environment.

[pt] A equação diferencial parcial de Poisson é de fundamental importância em várias áreas de pesquisa, dentre elas: matemática, física e engenharia. Para resolvê-la numericamente utilizam-se vários métodos, tais como os já tradicionais métodos das diferenças finitas e dos elementos finitos. Este trabalho propõe um método para resolver a equação de Poisson, utilizando uma abordagem de sistema de partículas conhecido como SPH, do inglês Smoothed Particles Hydrodynamics. O método proposto para a solução da equação de Poisson e os operadores diferenciais discretos definidos no método SPH, chamados de operadores SPH, são utilizados neste trabalho em duas aplicações: na decomposição de campos vetoriais; e na simulação numérica de escoamentos de fluidos monofásicos e bifásicos utilizando a equação de Navier-Stokes. / [en] Poisson`s equation is of fundamental importance in many research areas in engineering and the mathematical and physical sciences. Its numerical solution uses several approaches among them finite differences and finite elements. In this work we propose a method to solve Poisson`s equation using the particle method known as SPH (Smoothed Particle Hydrodynamics). The proposed method together with an accurate analysis of the discrete differential operators defined by SPH are applied in two related situations: the Hodge-Helmholtz vector field decomposition and the numerical simulation of the Navier-Stokes equations.

É bem sabido que métodos clássicos de elementos finitos e diferenças finitas para o problema de Helmholtz apresentam efeito de poluição, que pode deteriorar seriamente a qualidade da solução aproximada. Controlar o efeito de poluição é especialmente difícil quando são utilizadas malhas não uniformes. Para malhas uniformes com elementos quadrados são conhecidos métodos (p. e. o QSFEM, proposto por Babuska et al) que minimizam a poluição. Neste trabalho apresentamos inicialmente dois métodos de elementos finitos de Petrov-Galerkin com formulação relativamente simples, o RPPG e o QSPG, ambos com razoável robustez para certos tipos de distorções dos elementos. O QSPG apresenta ainda poluição mínima para elementos quadrados. Em seguida é formulado o QOFD, um método de diferenças finitas aplicável a malhas não estruturadas. O QOFD apresenta grande robustez em relação a distorções, mas requer trabalho extra para tratar problemas não homogêneos ou condições de contorno não essenciais. Finalmente é apresentado um novo método de elementos finitos de Petrov-Galerkin, o QOPG, que é formulado aplicando a mesma técnica usada para obter a estabilização do QOFD, obtendo assim a mesma robustez em relação a distorções da malha, com a vantagem de ser um método variacionalmente consistente. Resultados numéricos são apresentados ilustrando o comportamento de todos os métodos desenvolvidos em comparação com os métodos de Galerkin, GLS e QSFEM. / It is well known that classical finite elements or finite difference methods for Helmholtz problem present pollution effects that can severely deteriorate the quality of the approximate solution. To control pollution effects is especially difficult on non uniform meshes. For uniform meshes of square elements pollution effects can be minimized with the Quasi Stabilized Finite Element Method (QSFEM) proposed by Babusv ska el al, for example. In the present work we initially present two relatively simple Petrov-Galerkin finite element methods, referred here as RPPG (Reduced Pollution Petrov-Galerkin) and QSPG (Quasi Stabilized Petrov-Galerkin), with reasonable robustness to some type of mesh distortion. The QSPG also shows minimal pollution, identical to QSFEM, for uniform meshes with square elements. Next we formulate the QOFD (Quasi Stabilized Finite Difference) method, a finite difference method for unstructured meshes. The QOFD shows great robustness relative to element distortion, but requires extra work to consider non-essential boundary conditions and source terms. Finally we present a Quasi Optimal Petrov-Galerkin (QOPG) finite element method. To formulate the QOPG we use the same approach introduced for the QOFD, leading to the same accuracy and robustness on distorted meshes, but constructed based on consistent variational formulation. Numerical results are presented illustrating the behavior of all methods developed compared to Galerkin, GLS and QSFEM.

Made available in DSpace on 2016-12-12T17:38:33Z (GMT). No. of bitstreams: 1 Jean Ricardo Rusczak.pdf: 3380545 bytes, checksum: 67ba7b9893e46c6952c79403622eacb2 (MD5) Previous issue date: 2013-06-12 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / This paper presents the study and development of a system for measuring magnetic field through search coils. The system consists of a magnetic shield, two Helmholtz coils to generate a magnetic field, inductive interchangeable sensors and a set of electronic boards which were used to evaluate the efficiency of the whole assembly by amplifying the sinals generated by the sensors and with a data acquisition system with LabVIEW. Several designs were developed in order to achieve the project objectives of B measures the range nT in a frequency range of 10 Hz to 10 kHz. Two types of input amplifiers were studied, one being based on the output voltage of the coils and another based on the magnetic flux passing through the coil. The instrumentation amplifier has a gain of 357,500 V / V and the transimpedance amplifier configuration has a gain of 47 000 V/I. The frequency performance is achieved in the range between 100 Hz to 10 kHz where is possible to estimate fields estimated 1 nT. The work includes the study of different materials for magnetic cores to allow miniaturization of the sensors. / Este trabalho apresenta o estudo e desenvolvimento de um sistema de medição de campo magnético através de ponteiras indutivas. O sistema é composto por uma blindagem magnética, duas bobinas de Helmholtz para a geração de campo magnético, sensores indutivos intercambiáveis e um conjunto de placas eletrônicas que serviram para avaliar a eficiência de toda a montagem ao amplificar os sinais e fazer a aquisição de dados com interface em LabVIEW. Foram desenvolvidas diversas formas construtivas a fim de se atingir os objetivos de projeto medidas na faixa de nT entre 10 Hz e 10 kHz. Dois tipos de amplificadores de entrada foram estudados, um sendo baseado na tensão de saída das espiras e outro no fluxo que passa pelas espiras. O amplificador de instrumentação possui um ganho de 357500 V/V e a configuração de fluxo possui um ganho 47000 I/V. A resposta em frequência apresentou uma performance aceitável entre 100Hz e 10 kHz onde possibilitou a leitura de campos estimados de 1 nT. Foram estudados, também, diferentes materiais para núcleos e que permitem a miniaturização dos sensores.

En physique statistique computationnelle, de bonnes techniques d'échantillonnage sont nécessaires pour obtenir des propriétés macroscopiques à travers des moyennes sur les états microscopiques. La principale difficulté est que ces états microscopiques sont généralement regroupés autour de configurations typiques, et un échantillonnage complet de l'espace configurationnel est donc typiquement très complexe à réaliser. Des techniques ont été proposées pour échantillonner efficacement les états microscopiques dans l'ensemble canonique. Un exemple important de quantités d'intérêt dans un tel cas est l'énergie libre. Le calcul d'énergie libre est très important dans les calculs de dynamique moléculaire, afin d'obtenir une description réduite d'un système physique complexe de grande dimension. La première partie de cette thèse est consacrée à une extension de la méthode adaptative de force biaisante classique (ABF), qui est utilisée pour calculer l'énergie libre associée à la mesure de Boltzmann-Gibbs et une coordonnée de réaction. Le problème de cette méthode est que le gradient approché de l'énergie libre, dit force moyenne, n'est pas un gradient en général. La contribution à ce domaine, présentée dans le chapitre 2, est de projeter la force moyenne estimée sur un gradient en utilisant la décomposition de Helmholtz. Dans la pratique, la nouvelle force gradient est obtenue à partir de la solution d'un problème de Poisson. En utilisant des techniques d'entropie, on étudie le comportement à la limite de l'équation de Fokker-Planck non linéaire associée au processus stochastique. On montre la convergence exponentielle vers l'équilibre de l'énergie libre estimée, avec un taux précis de convergence en fonction des constantes de l'inégalité de Sobolev logarithmiques des mesures canoniques conditionnelles à la coordonnée de réaction. L'intérêt de la méthode d'ABF projetée par rapport à l'approche originale ABF est que la variance de la nouvelle force moyenne est plus petite. On observe que cela implique une convergence plus rapide vers l'équilibre. En outre, la méthode permet d'avoir accès à une estimation de l'énergie libre en tout temps. La deuxième partie (voir le chapitre 3) est consacrée à étudier l'existence locale et globale, l'unicité et la régularité des solutions d'une équation non linéaire de Fokker-Planck associée à la méthode adaptative de force biaisante. Il s'agit d'un problème parabolique semilinéaire avec une non-linéarité non locale. L'équation de Fokker-Planck décrit l'évolution de la densité d'un processus stochastique associé à la méthode adaptative de force biaisante. Le terme non linéaire est non local et est utilisé lors de la simulation afin d'éliminer les caractéristiques métastables de la dynamique. Il est lié à une espérance conditionnelle qui définit la force biaisante. La preuve est basée sur des techniques de semi-groupe pour l'existence locale en temps, ainsi que sur une estimée a priori utilisant une sursolution pour montrer l'existence globale / In computational statistical physics, good sampling techniques are required to obtain macroscopic properties through averages over microscopic states. The main difficulty is that these microscopic states are typically clustered around typical configurations, and a complete sampling of the configurational space is thus in general very complex to achieve. Techniques have been proposed to efficiently sample the microscopic states in the canonical ensemble. An important example of quantities of interest in such a case is the free energy. Free energy computation techniques are very important in molecular dynamics computations, in order to obtain a coarse-grained description of a high-dimensional complex physical system. The first part of this thesis is dedicated to explore an extension of the classical adaptive biasing force (ABF) technique, which is used to compute the free energy associated to the Boltzmann-Gibbs measure and a reaction coordinate function. The problem of this method is that the approximated gradient of the free energy, called biasing force, is not a gradient. The contribution to this field, presented in Chapter 2, is to project the estimated biasing force on a gradient using the Helmholtz decomposition. In practice, the new gradient force is obtained by solving Poisson problem. Using entropy techniques, we study the longtime behavior of the nonlinear Fokker-Planck equation associated with the ABF process. We prove exponential convergence to equilibrium of the estimated free energy, with a precise rate of convergence in terms of the Logarithmic Sobolev inequality constants of the canonical measure conditioned to fixed values of the reaction coordinate. The interest of this projected ABF method compared to the original ABF approach is that the variance of the new biasing force is smaller, which yields quicker convergence to equilibrium. The second part, presented in Chapter 3, is dedicated to study local and global existence, uniqueness and regularity of the mild, Lp and classical solution of a nonlinear Fokker-Planck equation, arising in an adaptive biasing force method for molecular dynamics calculations. The partial differential equation is a semilinear parabolic initial boundary value problem with a nonlocal nonlinearity and periodic boundary conditions on the torus of dimension n, as presented in Chapter 3. The Fokker-Planck equation rules the evolution of the density of a given stochastic process that is a solution to Adaptive biasing force method. The nonlinear term is non local and is used during the simulation in order to remove the metastable features of the dynamics

Jede Ausgabe des Magazins enthält ein Schwerpunkt-Thema, wie der Einsatz von Magnetfeldern für die Forschung ("entdeckt" 1/2012), das gesellschaftlich brisante Thema der Endlagerung von radioaktivem Abfall (JOURNAL Nr. 5) oder der Einsatz von ionisierender Strahlung gegen die Volkskrankheit Krebs (JOURNAL Nr. 3). Darüber hinaus können Sie weitere Forschungsnachrichten lesen oder sich über neue Mitarbeiter und Arbeitsgruppen bzw. über interessante Veranstaltungen informieren.

\"Discovered\" is the English-language edition of our research magazine; it is published once a year. The magazine\'s German-language edition \"entdeckt\" is published biannually. Each new issue of this easy-to-read magazine has a major focus, be it magnetic fields and forces, nuclear safety research, the DRESDEN-concept research alliance or cancer research. The magazine keeps you informed about research at the HZDR, new staff members or work groups as well as interesting events.