[Truncated abstract] The study reported in this thesis extends the scaled boundary finite-element method to firstorder and second-order wave diffraction problems. The scaled boundary finite-element method is a newly developed semi-analytical technique to solve systems of partial differential equations. It works by employing a special local coordinate system, called scaled boundary coordinate system, to define the computational field, and then weakening the partial differential equation in the circumferential direction with the standard finite elements whilst keeping the equation strong in the radial direction, finally analytically solving the resulting system of equations, termed the scaled boundary finite-element equation. This unique feature of the scaled boundary finite-element method enables it to combine many of advantages of the finite-element method and the boundaryelement method with the features of its own. ... In this thesis, both first-order and second-order solutions of wave diffraction problems are presented in the context of scaled boundary finite-element analysis. In the first-order wave diffraction analysis, the boundary-value problems governed by the Laplace equation or by the Helmholtz equation are considered. The solution methods for bounded domains and unbounded domains are described in detail. The solution process is implemented and validated by practical numerical examples. The numerical examples examined include well benchmarked problems such as wave reflection and transmission by a single horizontal structure and by two structures with a small gap, wave radiation induced by oscillating bodies in heave, sway and roll motions, wave diffraction by vertical structures with circular, elliptical, rectangular cross sections and harbour oscillation problems. The numerical results are compared with the available analytical solutions, numerical solutions with other conventional numerical methods and experimental results to demonstrate the accuracy and efficiency of the scaled boundary finite-element method. The computed results show that the scaled boundary finite-element method is able to accurately model the singularity of velocity field near sharp corners and to satisfy the radiation condition with ease. It is worth nothing that the scaled boundary finite-element method is completely free of irregular frequency problem that the Green's function methods often suffer from. For the second-order wave diffraction problem, this thesis develops solution schemes for both monochromatic wave and bichromatic wave cases, based on the analytical expression of first-order solution in the radial direction. It is found that the scaled boundary finiteelement method can produce accurate results of second-order wave loads, due to its high accuracy in calculating the first-order velocity field.

In this thesis we have focussed on two types of axially symmetric ion trap mass analysers viz., the quadrupole ion trap mass analyser and the toroidal ion trap mass analyser. We have undertaken three numerical studies in this thesis, one study is on the quadrupole ion trap mass analysers and two studies are on the toroidal ion trap mass analysers. The first study is related to improvement of the sensitivity of quadrupole ion trap mass analysers operated in the resonance ejection mode. In the second study we have discussed methods to determine the multipole coefficients in the toroidal ion trap mass analysers. The third study investigates the stability of ions in the toroidal ion trap mass analysers. The first study presents a technique to cause unidirectional ion ejection in a quadrupole ion trap mass spectrometer operated in the resonance ejection mode. In this technique a modified auxiliary dipolar excitation signal is applied to the endcap electrodes. This modified signal is a linear combination of two signals. The first signal is the nominal dipolar excitation signal which is applied across the endcap electrodes and the second signal is the second harmonic of the first signal, the amplitude of the second harmonic being larger than that of the fundamental. We have investigated the effect of the following parameters on achieving unidirectional ion ejection: primary signal amplitude, ratio of amplitude of second harmonic to that of primary signal amplitude, different operating points, different scan rates, different mass to charge ratios and different damping constants. In all these simulations unidirectional ejection of destabilized ions has been successfully achieved. The second study presents methods to determine multipole coefficients for describing the potential in toroidal ion trap mass analysers. Three different methods have been presented to compute the toroidal multipole coefficients. The first method uses a least square fit and is useful when we have ability to compute potential at a set of points in the trapping region. In the second method we use the Discrete Fourier Transform of potentials on a circle in the trapping region. The third method uses surface charge distribution obtained from the Boundary Element Method to compute these coefficients. Using these multipole coefficients we have presented (1) equations of ion motion in toroidal ion traps (2) the Mathieu parameters in terms of multipole coefficients and (3) the secular frequency of ion motion in these traps. It has been shown that the secular frequency obtained from our method has a good match with that obtained from numerical trajectory simulation. The third study presents stability of ions in practical toroidal ion trap mass analysers. Here we have taken up for investigation four geometries with apertures and truncation of electrodes. The stability is obtained in UDC-VRF plane and later this is converted into A-Q plane on the Mathieu stability plot. Though the plots in terms of Mathieu parameters for these structures are qualitatively similar to the corresponding plot of linear ion trap mass analysers, there is a significant difference. The stability plots of these have regions of nonlinear resonances where ion motion is unstable. These resonances have been briefly investigated and it is proposed that they occur on account of hexapole and octopole contributions to the field in these toroidal ion traps.

No presente trabalho, uma combinação do método dos elementos de contorno (MEC) com o método dos elementos finitos (MEF) é apresentada para a análise da interação entre estacas e o solo, considerado como um meio infinito tridimensional e homogêneo. O meio contínuo tridimensional de domínio infinito é modelado pelo MEC, enquanto as estacas consideradas como elementos reticulares são tratadas pelo MEF. As equações das estacas oriundas do método dos elementos finitos são combinadas com as do meio contínuo obtidas a partir do método dos elementos de contorno, resultando em um sistema completo de equações, que convenientemente tratadas, proporcionam a formulação de coeficientes de rigidez do conjunto solo-estacas. Finalmente, uma formulação para a análise do comportamento não-linear do solo na interface com a estaca é desenvolvida, tornando o modelo mais abrangente. / In the present work a combination of the Boundary Element Method (BEM) and the Finite Element Method (FEM) is used for pile-soil interaction analyses, considering the soil as a homogeneous, three-dimensional and infinite medium. The three-dimensional infinite continuous medium is modeled by the BEM, and the piles are, considered as beam elements, modeled by the FEM. This combination also is used for studying the interaction of plates sitting on a continuous medium. The pile equations generated from the FEM are combined with the medium equations generated from the BEM, resulting a complete equation system. Manipulating properly this equation system, a set of stiffness coefficients for the system soil-pile is obtained. Finally, to make the model more comprehensive, it presented a formulation to take into account the soil nonlinear behavior at the pile interface.

This thesis is a numerical study of fields within ion traps having segmented electrodes1. The focus is on two cylindrical ion trap structures, two Orbit rap structures and one planar structure which mimics the field of the Orbit rap. In all these geometries, the segments which comprise the electrodes are easily Machin able rings and plates. By applying suitable potential to the different segments, the fields within these geometries are made to mimic the fields in the respective ideal structures. This thesis is divided into 6 chapters. Chapter 1 presents introduction and background information relevant to this work. A brief description of the Quadrupole Ion Trap (QIT) and the Orbit rap is given. The role of numerical simulations in the design of an ion trap geometry is briefly outlined. The motivation of this thesis is presented. The chapter ends by describing the scope of the thesis. Chapter 2 presents a general description of computational methods used throughout this work. The Boundary Element Methods (BEM) is first described. Both 2D and 3D BEM are used in this work. The software for 3D BEM is newly developed and hence 3D BEM is described in more detail. A verification of 3D BEM is presented with a few examples. The Runge-Kutta method used to compute the trajectory of ion is presented. A brief overview of the Nelder-Mead method of function minimization is given. The computational techniques specifically used to obtain the results in Chapter 3, 4 and 5 are presented in the respective chapters. Chapter 3 presents segmented electrode geometries of the Cylindrical Ion Trap (CIT). In these geometries, the electrodes of the CIT are split into number of mini-electrodes and different voltages are applied to these segmented electrodes to achieve the desired field. Two geometries of the segmented electrode CIT will be investigated. In the first, we retain the flat end cap electrodes of the CIT but split the ring electrode into five mini-rings. In the second configuration, we split the ring electrode of the CIT into three mini-rings and 1The term ‘segmented electrode’ used in this thesis has the same connotation as the term ‘split-electrode’ used in Sonalikar and Mohanty (2013). also divide the end caps into two mini-discs. By applying different potentials to the mini-rings and mini-discs of these geometries we will show that the field within the trap can be optimized to desired values. Two different types of fields will be targeted. In the first, potentials are adjusted to obtain a linear electric field and, in the second, a controlled higher order even multipole field are obtained by adjusting the potential. It will be shown that the different potentials to the segmented electrodes can be derived from a single RF generator by connecting appropriate capacitor terminations to segmented electrodes. The field within the trap can be modified by changing the value of the external capacitors. Chapter 4 presents segmented electrode geometries which are possible alternatives for the Orbitrap. Two segmented-electrode structures, ORB1 and ORB2, to mimic the electric field of the Orbitrap, will be investigated. In the ORB1, the inner spindle-like electrode and the outer barrel-like electrode of the Orbitrap are replaced by rings and discs of fixed radii, respectively. In this structure two segmented end cap electrodes are added. In this geometry, different potentials are applied to the different electrodes keeping top-bottom symmetry intact. In the second geometry, ORB2, the inner and outer electrodes of the Orbitrap are replaced by an approximate step structure which follows the profile of the Orbitrap electrodes. For the purpose of comparing the performance of ORB1 and ORB2 with that of the Orbitrap, the following studies will be undertaken: (1) variation of electric potential, (2) computation of ion trajectories, (3) measurement of image currents. These studies will be carried out using both 2D and 3D Boundary Element Method (BEM), the 3D BEM is developed specifically for this study. It will be seen in these investigations that ORB1 and ORB2 have performance similar to that of the Orbitrap, with the performance of the ORB1 being seen to be marginally superior to that of the ORB2. It will be shown that with proper optimization, geometries containing far fewer electrodes can be used as mass analysers. A novel technique of optimization of the electric field is proposed with the objective of minimizing the dependence of axial frequency of ion motion on the initial position of an ion. The results on the optimization of 9 and 15 segmented-electrode trap having the same design as ORB1 show that it can provide accurate mass analysis. Chapter 5 presents a segmented electrode planar geometry named as PORB used to mimic the electric field of the Orbit rap. This geometry has two planes, each plane consisting of 30 concentric ring electrodes. Although the geometry of PORB does not have conventional inner and outer electrodes of the Orbit rap, it will be shown that by selecting appropriate geometry parameters and suitable potentials for the ring electrodes, this geometry can trap the ions into an orbital motion similar to that in the Orbit rap. The performance of the planar geometry is studied by comparing the variation of potential, ion trajectories and image current in this geometry with that in the Orbit rap. The optimization of applied potentials is performed to correct the errors in the electric field so that the variation of axial frequency of ions with their initial position is minimized. Chapter 6 presents the summary and a few concluding remarks

High-frequency wave phenomena is observed in many physical settings, most notably in acoustics, electromagnetics, and elasticity. In all of these fields, numerical simulation and modeling of the forward propagation problem is important to the design and analysis of many systems; a few examples which rely on these computations are the development of metamaterial technologies and geophysical prospecting for natural resources. There are two modes of modeling the forward problem: the frequency domain and the time domain. As the title states, this work is concerned with the former regime. The difficulties of solving the high-frequency wave propagation problem accurately lies in the large number of degrees of freedom required. Conventional wisdom in the computational electromagnetics commmunity suggests that about 10 degrees of freedom per wavelength be used in each coordinate direction to resolve each oscillation. If K is the width of the domain in wavelengths, the number of unknowns N grows at least by O(K^2) for surface discretizations and O(K^3) for volume discretizations in 3D. The memory requirements and asymptotic complexity estimates of direct algorithms such as the multifrontal method are too costly for such problems. Thus, iterative solvers must be used. In this dissertation, I will present fast algorithms which, in conjunction with GMRES, allow the solution of the forward problem in O(N) or O(N log N) time. / text

Thesis (Ph. D.)--Kyoto University, 1984. / Includes bibliographical references and indexes.

Cette thèse aborde deux thématiques différentes. On s’intéresse d’abord au développement et à l’analyse de méthodes pour le sens électrique appliqué à la robotique. On considère en particulier la méthode des réflexions permettant, à l’image de la méthode de Schwarz, de résoudre des problèmes linéaires à partir de sous-problèmes plus simples. Ces deniers sont obtenus par décomposition des frontières du problème de départ. Nous en présentons des preuves de convergence et des applications. Dans le but d’implémenter un simulateur du problème direct d’électrolocation dans un robot autonome, on s’intéresse également à une méthode de bases réduites pour obtenir des algorithmes peu coûteux en temps et en place mémoire. La seconde thématique traite d’un problème inverse dans le domaine de la chimie quantique. Nous cherchons ici à déterminer les caractéristiques d’un système quantique. Celui-ci est éclairé par un champ laser connu et fixé. Dans ce cadre, les données du problème inverse sont les états avant et après éclairage. Un résultat d’existence locale est présenté, ainsi que des méthodes de résolution numériques. / This thesis tackle two different topics.We first design and analyze algorithms related to the electrical sense for applications in robotics. We consider in particular the method of reflections, which allows, like the Schwartz method, to solve linear problems using simpler sub-problems. These ones are obtained by decomposing the boundaries of the original problem. We give proofs of convergence and applications. In order to implement an electrolocation simulator of the direct problem in an autonomous robot, we build a reduced basis method devoted to electrolocation problems. In this way, we obtain algorithms which satisfy the constraints of limited memory and time resources. The second topic is an inverse problem in quantum chemistry. Here, we want to determine some features of a quantum system. To this aim, the system is ligthed by a known and fixed Laser field. In this framework, the data of the inverse problem are the states before and after the Laser lighting. A local existence result is given, together with numerical methods for the solving.