A graphical preprocessor for Spectral Element Method (SEM) is developed with an emphasis on user friendly graphical interface and instructive element construction. The interface of the preprocessor helps users with every step during mesh generation, aiding their understanding of SEM. This preprocessor's Graphical User Interface (GUI) and help system are comparable to other commercial tools. Moreover, this preprocessor is designed for educational purposes, and prior knowledge of Spectral Element formulation is not required to use this tool. The information window in the preprocessor shows stepby- step instructions for the user. The preprocessor provides a graphical interface which enables visualization while the mesh is being constructed, so that the entire domain can be discretized easily. In addition, by following informative steps during the mesh construction, the user can gain knowledge about the intricate details of computational fluid dynamics. This preprocessor provides a convenient way to implement h/p type nonconforming interfaces between elements. This aids the user in learning advanced numerical discretization techniques, such as the h/p nonconforming SEM. Using the preprocessor facilitates enhanced understanding of SEM, isoparametric mapping, h and p type nonconforming interfaces, and spectral convergence. For advanced users, this preprocessor provides a proficient and convenient graphical interface independent of the solvers. Any spectral element solver can utilize this preprocessor, by reading the format of the output file from the preprocessor. Given these features, this preprocessor is useful both for novice and advanced users.

<p>In this dissertation, the spectral element method is developed to simulate electromagnetic field in nano-structure consisting of dielectric, metal or semiconductor. The spectral element method is a special kind of high order finite element method, which has spectral accuracy. When the order of the basis function increases, the accuracy increases exponentially. The goal of this dissertation is to implement the spectral element method to calculate the electromagnetic properties of various semiconductor nano-structures, including photonic crystal, photonic crystal slab, finite size photonic crystal block, nano dielectric sphere. The linear electromagnetic characteristics, such as band structure and scattering properties, can be calculated by this method with high accuracy. In addition, I have explored the application of the spectral element method in nonlinear and quantum optics. The effort will focus on second harmonic generation and quantum dot nonlinear dynamics. </p><p>The electromagnetic field can be simulated in both frequency domain and time domain. Each method has different application for research and engineering. In this dissertation, the first half of the dissertation discusses the frequency domain solver, and the second half of the dissertation discusses the time domain solver.</p><p>For frequency domain simulation, the basic equation is the second order vector Helmholtz equation of the electric field. This method is implemented to calculate the band structure of photonic crystals consisting of dielectric material as well as metallic materials. Because the photonic crystal is periodic, only one unit cell need to be simulated in the computational domain, and a periodic boundary condition is applied. The spectral accuracy is inspected. Adding the radiation boundary condition at top and bottom of the computational region, the scattering properties of photonic crystal slab can be calculated. For multiple layers photonic crystal slab, the block-Thomas algorithm is used to increase the efficiency of the calculation. When the simulated photonic crystals are finite size, unlike an infinitely periodic system, the periodic boundary condition does not apply. In order to increase the efficiency of the simulation, the domain decomposition method is implemented. </p><p>The second harmonic generation, which is a kind of nonlinear optical effect, is simulated by the spectral element method. The vector Helmholtz equations of multiple frequencies are solved in parallel and the consistence solution with nonlinear effect is obtained by iterative solver. The sensitivity of the second harmonic generation to the thickness of each layer can be calculated by taking the analytical differential of the equation to the thickness of each element. </p><p>The quantum dot dynamics in semiconductor are described by the Maxwell-Bloch equations. The frequency domain Maxwell-Bloch equations are deduced. The spectral element method is used to solve these equations to inspect the steady state quantum dot dynamic behaviors under the continuous wave electromagnetic excitation.</p><p>For time domain simulation, the first order curl equations in Maxwell equations are the basic equations. A spectral element method based on brick element is implemented to simulate a nano-structure consisting of woodpile photonic crystal. The resonance of a micro-cavity consisting of a point defect in the woodpile photonic crystal block is simulated. In addition, the time domain Maxwell-Bloch equations are implemented in the solver. The spontaneous emission process of quantum dot in the micro-cavity is inspected. </p><p>Another effort is to implement the Maxwell-Bloch equations in a previously implemented domain decomposition spectral element/finite element time domain solver. The solver can handle unstructured mesh, which can simulate complicated structure. The time dependent dynamics of a quantum dot in the middle of a nano-sphere are investigated by this implementation. The population inversion under continuous and pulse excitation is investigated. </p><p>In conclusion, the spectral element method is implemented for frequency domain and time domain solvers. High efficient and accurate solutions for multiple layers nano-structures are obtained. The solvers can be applied to design nano-structures, such as photonic crystal slab resonators, and nano-scale semiconductor lasers.</p> / Dissertation

Wall-bounded turbulent flows are prevalent in engineering and industrial applications. Walls greatly affect turbulent characteristics in many ways including production and propagation of turbulent stresses. While computational fluid dynamics can be used as an important design tool, its use is hindered due to the fine-mesh requirements in the near-wall region to capture all of the pertinent turbulent data. To resolve all relevant scales of motion, the number of grid points scales with Reynolds number as N ≈ Re9/4, making it nearly impossible to solve real engineering problems, most of which feature high Reynolds numbers. A method to help alleviate the resolution requirements is the use of wall models. This method allows for a coarser mesh to be used in which the near-wall region is modeled and the first grid point is placed in the log-law region. The shear stress at the wall is correlated with the velocity at a point outside the near-wall region, drastically reducing the number of elements required and reducing the computational time and cost of the simulation. The goal of this study was to test the speed increase and element reduction capabilities of combining a wall function solution with the massively-parallel, spectral element solver, Nek5000, and verify the method using a turbulent channel simulation. The first grid point is placed at y+ = 100, in the log-law region, for Reτ = 950 and the sub-grid scales are modeled using a dynamic Smagorinski model. The results are then compared to a DNS performed by Jimenez and Hoyas for model verification.

The average and fluctuating components in a model ring-type gas turbine combustor are characterized using a Large Eddy Simulation at a Reynolds number of 11,000, based on the bulk velocity and the mean channel height. A spatial filter is applied to the incompressible Navier-Stokes equations, and a high pass filtered Smagorinsky model is used to model the sub-grid scales. Two cases are studied: one with only the swirler inlet active, and one with a single row of dilution jets activated, operating at a momentum flux ratio J of 100. The goal of both of these studies is to validate the capabilities of the solver NEK5000 to resolve important flow features inherent to gas turbine combustors by comparing qualitatively to the work of Jakirlic. Both cases show strong evidence of the Precessing Vortex Core, an essential flow feature in gas turbine combustors. Each case captures other important flow characteristics, such as corner eddies, and in general predicts bulk flow movements well. However, the simulations performed quite poorly in terms of predicting turbulence shear stress quantities. Difficulties in properly emulating the turbulent velocity entering the combustor for the swirl, as well as mesh quality concerns, may have skewed the results. Overall, though small length scale quantities were not accurately captured, the large scale quantities were, and this stress test on the HPF LES model will be built upon in future work that looks at more complex combustors.

Theoretical and numerical studies of chaotic mixing are performed to circumvent the difficulties of efficient mixing, which come from the lack of turbulence in microfluidic devices. In order to carry out efficient and accurate parametric studies and to identify a fully chaotic state, a spectral element algorithm for solution of the incompressible Navier-Stokes and species transport equations is developed. Using Taylor series expansions in time marching, the new algorithm employs an algebraic factorization scheme on multi-dimensional staggered spectral element grids, and extends classical conforming Galerkin formulations to nonconforming spectral elements. Lagrangian particle tracking methods are utilized to study particle dispersion in the mixing device using spectral element and fourth order Runge-Kutta discretizations in space and time, respectively. Comparative studies of five different techniques commonly employed to identify the chaotic strength and mixing efficiency in microfluidic systems are presented to demonstrate the competitive advantages and shortcomings of each method. These are the stirring index based on the box counting method, Poincare sections, finite time Lyapunov exponents, the probability density function of the stretching field, and mixing index inverse, based on the standard deviation of scalar species distribution. Series of numerical simulations are performed by varying the Peclet number (Pe) at fixed kinematic conditions. The mixing length (lm) is characterized as function of the Pe number, and lm ∝ ln(Pe) scaling is demonstrated for fully chaotic cases. Employing the aforementioned techniques, optimum kinematic conditions and the actuation frequency of the stirrer that result in the highest mixing/stirring efficiency are identified in a zeta potential patterned straight micro channel, where a continuous flow is generated by superposition of a steady pressure driven flow and time periodic electroosmotic flow induced by a stream-wise AC electric field. Finally, it is shown that the invariant manifold of hyperbolic periodic point determines the geometry of fast mixing zones in oscillatory flows in two-dimensional cavity.

Forward modelling of seismic waves is an essential tool in the determination of the underlying structure of the Earth using inversion techniques. Despite recent advances in computer power and memory resources, full 3-D elastic wave modelling continues to place a heavy burden on a typical personal computer. 2.5-D modelling reduces the computational burden while maintaining 3-D wavefield characteristics. In this thesis I present 2.5-D frequency-domain equations of motion for elastic wave modelling in anisotropic media. The reduced set of equations for vertical transversely isotropic media and tilted transversely isotropic media are presented separately. Using the spectral-element method, I develop the equations of motion into readily implemented sub-equations by identifying simple 1-D and 2-D patterns. Some aspects of my computational implementation are unique, in particular the use of a system of dynamically growing binary trees to serve as a system matrix. Using this system, the matrix is automatically stored in compressed row format. I investigate the use of both distributed memory and shared memory super-computers for 3-D modelling and compare the resource use of various matrix solvers. In this thesis I adapt recently developed Perfectly Matched Layer formulations to the 2.5-D elastic case, and find them to be adequate in most situations. I investigate the possiblity of instability in the absorbing layers. Observation of 2.5-D modelling results in the frequency wavenumber domain uncovers polelike behaviour at critical wavenumbers within the spectrum. I demonstrate how this behaviour threatens the accuracy of the inverse Fourier transformed frequency-domain solution. However for inhomogeneous media, under certain conditions the only medium that exhibits pole-like behaviour is the medium containing the source. Further study of the phenomenon shows that in homogeneous, transversely isotropic media, the critical wavenumber values are not dependent on the receiver position, but rather can be predicted using the maximum phase velocities of the media. The recommended strategy for wavenumber sampling is to use dense even spacing of values, to adequately capture the behaviour close to the critical wavenumbers. A further recommendation it to introduce slight attenuation through the use of complex velocities (or elastic constants) to eliminate any pole-like behaviour at the critical values. / http://proxy.library.adelaide.edu.au/login?url= http://library.adelaide.edu.au/cgi-bin/Pwebrecon.cgi?BBID=1385923 / Thesis (Ph.D.) -- University of Adelaide, School of Chemistry and Physics, 2010

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The far-field underwater explosion (UNDEX) problem is a complicated problem dominated by two phenomena: the shock wave traveling through the fluid and the cavitation in the fluid. Both of these phenomena have a significant effect on the loading of ship structures subjected to UNDEX. An approach to numerically modeling these effects in the fluid and coupling to a structural model is using cavitating acoustic finite elements (CAFE) and more recently cavitating acoustic spectral elements (CASE). The use of spectral elements in CASE has shown to offer the greater accuracy and reduced computational expense when compared to traditional finite elements. However, spectral elements also increase spurious oscillations in both the fluid and structural response. This dissertation investigates the application of CAFE, CASE, and a possible improvement to CAFE in the form of a finite element flux-corrected transport algorithm, to the far-field UNDEX problem by solving a set of simplified UNDEX problems. Specifically we examine the effect of increased oscillations on structural response and the effect of errors in cavitation capture on the structural response which have not been thoroughly explored in previous work. The main contributions of this work are a demonstration of the problem dependency of increased oscillations in the structural response when applying the CASE methodology, the demonstration of how the sensitivity of errors in the structural response changes with changes in the structural model, a detailed explanation of how error in cavitation capture influences the structural response, and a demonstration of the need to accurately capture the shape and magnitude of cavitation regions in the fluid in order to obtain accurate structural response results. / Ph. D.

Résumé : La surveillance de l’intégrité des structures (Structural Health Monitoring - SHM) est une nouvelle technologie, et comme toute nouvelle avancée technologique, elle n’a pas encore réalisé son plein potentiel. Le SHM s’appuie sur des avancées dans plusieurs disciplines, dont l’évaluation non-desctructive, les matériaux intelligents, et les capteurs et actionneurs intégrés. Une des disciplines qui permet son déploiement est la simulation numérique. Le SHM englobe une variété de techniques basées sur la génération d’ondes vibratoires et d’ondes ultrasonores guidées. L’utilisation d’ondes guidées offre en particulier une vaste gamme d’avantages. Le défi majeur associé à la pleine utilisation de la simulation numérique dans la conception d’un système SHM basé sur l’utilisation d’ondes guidées réside dans les ressources de calcul requises pour une simulation précise. La principale raison pour ces exigences est la dispersion induite par la discrétisation numérique, tel qu’indiqué dans la littérature. La méthodes des éléments spectraux (SEM) est une variante de la p-version de la méthode des éléments finis (FEM) qui offre certains outils pour solutionner le problème des erreurs de dispersion, mais la littérature souffre toujours d’une lacune dans l’étude systématique des erreurs de dispersion numérique et de sa dépendance sur les paramètres de simulation. Le présent ouvrage tente de combler cette lacune pour les théories d’ingénierie en vibrations. Il présente d’abord le développement de la formulation des éléments spectraux pour différentes théories d’ingénierie pertinentes pour la propagation des ondes vibratoires dans différents types de structures, comme des tiges et des plaques. Puis, une nouvelle technique pour le calcul des erreurs de dispersion numériques est présentée et appliquée systématiquement dans le but d’évaluer la dispersion numérique induite en termes d’erreurs dans les vitesses de propagation. Cette technique est utilisable pour les différentes formes de propagation des ondes vibratoires dans les éléments structuraux visés dans la présente thèse afin d’évaluer quantitativement les exigences de précision en termes de paramètres de maillage. Les ondes de Lamb constituent un cas particulier de la déformation plane des ondes élastiques, en raison de la présence des doubles frontières à traction libre qui couplent les ondes longitudinales et de cisaillement et qui conduisent à une infinité de modes propagatifs qui sont dispersifs par nature. La simulation des ondes de Lamb n’a pas fait l’objet d’analyse systématique de la dispersion numérique dans la littérature autant pour la SEM que la FEM. Nous rapportons ici pour la première fois les résultats de l’analyse de dispersion numérique pour la propagation des ondes Lamb. Pour toutes les analyses de dispersion numérique présentées ici, l’analyse a été effectuée à˘ala fois dans le domaine fréquentiel et dans le domaine temporel. En se basant sur la nouvelle compréhension des effets de discrétisation numérique de la propagation des ondes guidées, nous étudions l’application de la SEM à la simulation numérique pour des applications de conception en SHM. Pour ce faire, l’excitation piézoélectrique est développée, et une nouvelle technique de condensation statique est développée et mise en œuvre pour les équations de la matrice semi-discrète, qui élimine le besoin de solution itérative, ainsi surnommée fortement couplée ou entièrement couplée. Cet élément piézoélectrique précis est ensuite utilisé pour étudier en détails les subtilités de la conception d’un système SHM en mettant l’accent sur la propagation des ondes de Lamb. Afin d’éviter la contamination des résultats par les réflexions sur les bords une nouvelle forme particulière d’élément absorbant a été développée et mise en œuvre. Les résultats de simulation dans le domaine fréquentiel jettent un éclairage nouveau sur les limites des modèles théoriques actuels pour l’excitation des ondes de Lamb par piézoélectriques. L’excitation par un élément piézoélectrique couplé est ensuite entièrement simulée dans le domaine temporel, et les résultats de simulation sont validés par deux cas de mesures expérimentales ainsi que par la simulation classique avec des éléments finis en utilisant le logiciel commercial ANSYS. // Abstract : Structural health monitoring (SHM) is a novel technology, and like any new technological advancement it has yet not realized its full potential. It builds on advancements in several disciplines including nondestructive evaluation, smart materials, and embedded sensors and actuators. One of the enabling disciplines is the numerical simulation. SHM encompasses a variety of techniques, vibration based, impedance and guided ultrasonic waves. Guided waves offers a wide repertoire of advantages. The major challenge facing the full utilization of the numerical simulation in designing a viable guided waves based SHM System is the formidable computational requirements for accurate simulation. The main reason for these requirements is the dispersion induced by numerical discretization as explained in the literature review. The spectral element (SEM) is a variant of the p-version finite element (FEM) that offers certain remedies to the numerical dispersion errors problem, yet it lacks a systematic study of the numerical dispersion errors and its dependence on the meshing parameters. The present work attempts to fill that gap for engineering theories. It starts by developing the formulation of the spectral element for different relevant engineering theories for guided waves propagation in various structural elements, like rods and plates. Then, extending the utility of a novel technique for computing the numerical dispersion errors, we systematically apply it in order to evaluate the numerically induced dispersion in terms of errors in the propagation speeds. This technique is employed for the various forms of guided waves propagation in structural elements covered in the present thesis in order to quantitatively assess the accuracy requirements in terms of the meshing parameters. The Lamb guided waves constitute a special case of the plane strain elastic waves, that is due to the presence of the double traction free boundaries, couple in the section plane and this coupling leads to an infinitude of propagating modes that are dispersive in nature. Lamb waves simulation have not been a subject of numerical dispersion analysis in the open literature neither for SEM nor FEM for that matter. We report here for the first time the numerical dispersion analysis results for Lamb waves propagation. For all the numerical dispersion analysis presented here, the analysis was done for both the frequency domain and time domain analysis. Based on the established understanding of the numerical discretization effects on the guided waves propagation, we utilize this knowledge to study the application of SEM to SHM simulations. In order to do so the piezoelectric excitation is developed, and a new static condensation technique is developed for the semidiscrete matrix equations, that eliminate the need for iterative solution, thus dubbed strongly coupled or fully coupled implementation. This accurate piezoelectric element are then used to study in details the intricacies of the design of an SHM system with specific emphasis on the Lamb waves propagation. In order to avoid the contamination of the results by the reflections from the edges a new special form of absorbing boundary was developed and implemented. The Simulation results in the frequency domain illuminated the limitations of the current theoretical models for piezoelectric excitation of Lamb waves. The piezoelectric excitation of a fully coupled element is then simulated in the time domain, and the results of simulation was verified against two cases of experimental measurements as well as conventional finite element simulation using the commercial software ANSYS.

Purely numerical methods based on the Finite Element Method (FEM) are becoming increasingly popular in seismic modeling for the propagation of acoustic and elastic waves in geophysical models. These methods o er a better control on the accuracy and more geometrical exibility than the Finite Di erence methods that have been traditionally used for the generation of synthetic seismograms. However, the success of these methods has outpaced their analytic validation. The accuracy of the FEMs used for seismic wave propagation is unknown in most cases and therefore the simulation parameters in numerical experiments are determined by empirical rules. I focus on two methods that are particularly suited for seismic modeling: the Spectral Element Method (SEM) and the Interior-Penalty Discontinuous Galerkin Method (IP-DGM). The goals of this research are to investigate the grid dispersion and stability of SEM and IP-DGM, to implement these methods and to apply them to subsurface models to obtain synthetic seismograms. In order to analyze the grid dispersion and stability, I use the von Neumann method (plane wave analysis) to obtain a generalized eigenvalue problem. I show that the eigenvalues are related to the grid dispersion and that, with certain assumptions, the size of the eigenvalue problem can be reduced from the total number of degrees of freedom to one proportional to the number of degrees of freedom inside one element. The grid dispersion results indicate that SEM of degree greater than 4 is isotropic and has a very low dispersion. Similar dispersion properties are observed for the symmetric formulation of IP-DGM of degree greater than 4 using nodal basis functions. The low dispersion of these methods allows for a sampling ratio of 4 nodes per wavelength to be used. On the other hand, the stability analysis shows that, in the elastic case, the size of the time step required in IP-DGM is approximately 6 times smaller than that of SEM. The results from the analysis are con rmed by numerical experiments performed using an implementation of these methods. The methods are tested using two benchmarks: Lamb's problems and the SEG/EAGE salt dome model. / text