<p>This investigation is motivated by the problem of optimal design of cooling elements in modern battery systems. We consider a simple model of two-dimensional steady state heat conduction described by elliptic partial differential equations (PDEs) and involving a one dimensional cooling element represented by an open contour. The problem consists in finding an optimal shape of the cooling element which will ensure that the solution in a given region is close (in the least square sense) to some prescribed target distribution. We formulate this problem as PDE-constrained optimization and the locally optimal contour shapes are found using the conjugate gradient algorithm in which the Sobolev shape gradients are obtained using methods of the shape-differential calculus combined with adjoint analysis. The main novelty of this work is an accurate and efficient approach to the evaluation of the shape gradients based on a boundary integral formulation. A number of computational aspects of the proposed approach is discussed and optimization results obtained in several test problems are presented.</p> / Master of Science (MSc)

Turbulence in the ionosphere is important to understand because it can negatively affect communication signals. This work examines different scenarios in the ionosphere in which turbulence may develop. The two main causes of turbulence considered in this work are the gradient drift instability (GDI) and the Kelvin-Helmholtz instability (KHI). The likelihood of the development of the GDI during the August 17, 2017 total solar eclipse is studied numerically. This analysis uses the ``Sami3 is Also a Model of the Ionosphere" (SAMI3) model to study the effect of the eclipse on the plasma density. The calculated GDI growth rates are small compared to how quickly the eclipse moves over the Earth. Therefore, the GDI is not expected to occur during the solar eclipse. A novel 2D electrostatic pseudo-spectral fluid model is developed to study the growth of these two instabilities and the problem of ionospheric turbulence in general. To focus on the ionospheric turbulence, a set of perturbed governing equations are derived. The model accurately captures the GDI growth rate in different limits; it is also benchmarked to the evolution of instability development in different collisional regimes of a plasma cloud. The newly developed model is used to study if the GDI is the cause of density irregularities observed in subauroral polarization streams (SAPS). Data from Global Positioning System (GPS) scintillations and the Super Dual Auroral Radar Network (SuperDARN) are used to examine the latitudinal density and velocity profiles of SAPS. It is found that the GDI is stabilized by velocity shear and therefore will only generate density irregularities in regions of low velocity shear. Furthermore, the density irregularities cannot extend through regions of large velocity shear. In certain cases, the turbulence cascade power laws match observation and theory. The transition between the KHI and the GDI is studied by understanding the effect of collisions. In low collisionality regimes, the KHI is the dominant instability. In high collisionality regimes, the GDI is the dominant instability. Using nominal ionospheric parameters, a prediction is provided that suggests that there exists an altitude in the upper textit{F} region ionosphere above which the turbulence is dominated by the KHI. / Doctor of Philosophy / In the modern day, all wireless communication signals use electromagnetic waves that propagate through the atmosphere. In the upper atmosphere, there exists a region called the ionosphere, which consists of plasma (a mixture of ions, electrons, and neutral particles). Because ions and electrons are charged particles, they interact with the electromagnetic communication signals. A better understanding of ionospheric turbulence will allow for aid in forecasting space weather as well as improve future communication equipment. Communication signals become distorted as they pass through turbulent regions of the ionosphere, which negatively affects the signal quality at the receiving end. For a tangible example, when Global Positioning System (GPS) signals pass through turbulent regions of the ionosphere, the resulting position estimate becomes worse. This work looks at two specific causes of ionospheric turbulence: the gradient drift instability (GDI) and the Kelvin-Helmholtz instability (KHI). Under the correct background conditions, these instabilities have the ability to generate ionospheric turbulence. To learn more about the GDI and the KHI, a novel simulation model is developed. The model uses a method of splitting the equations such that the focus is on just the development of the turbulence while considering spatially constant realistic background conditions. The model is shown to accurately represent results from previously studied problems in the ionosphere. This model is applied to an ionospheric phenomenon known as subauroral polarization streams (SAPS) to study the development of the GDI and the KHI. SAPS are regions of the ionosphere with large westward velocity that changes with latitude. The shape of the latitudinal velocity profile depends on many other factors in the ionosphere such as the geomagnetic conditions. It is found that for certain profiles, the GDI will form in SAPS with some of these examples matching observational data. At higher altitudes, the model predicts that the KHI will form instead. While the model is applied to just the development of the GDI and the KHI in this work, it is written in a general manner such that other causes of ionospheric turbulence can be easily studied in the future.

We study numerical methods for time-dependent partial differential equations describing wave propagation, primarily applied to problems in quantum dynamics governed by the time-dependent Schrödinger equation (TDSE). We consider both methods for spatial approximation and for time stepping. In most settings, numerical solution of the TDSE is more challenging than solving a hyperbolic wave equation. This is mainly because the dispersion relation of the TDSE makes it very sensitive to dispersion error, and infers a stringent time step restriction for standard explicit time stepping schemes. The TDSE is also often posed in high dimensions, where standard methods are intractable. The sensitivity to dispersion error makes spectral methods advantageous for the TDSE. We use spectral or pseudospectral methods in all except one of the included papers. In Paper III we improve and analyse the accuracy of the Fourier pseudospectral method applied to a problem with limited regularity, and in Paper V we construct a matrix-free spectral method for problems with non-trivial boundary conditions. Due to its stiffness, the TDSE is most often solved using exponential time integration. In this thesis we use exponential operator splitting and Krylov subspace methods. We rigorously prove convergence for force-gradient operator splitting methods in Paper IV. One way of making high-dimensional problems computationally tractable is low-rank approximation. In Paper VI we prove that a splitting method for dynamical low-rank approximation is robust to singular values in the approximation approaching zero, a situation which is difficult to handle since it implies strong curvature of the approximation space. / eSSENCE

Numerical simulation is becoming increasingly used to support theoretical effort into understanding the turbulence problem. We develop theoretical ideas related to the transfer and dissipation of energy, which clarify long-standing issues with the energy balance in isotropic turbulence. These ideas are supported by results from large scale numerical simulations. Due to the large number of degrees of freedom required to capture all the interacting scales of motion, the increase in computational power available has only recently allowed flows of interest to be realised. A parallel pseudo-spectral code for the direct numerical simulation (DNS) of isotropic turbulence has been developed. Some discussion is given on the challenges and choices involved. The DNS code has been extensively benchmarked by reproducing well established results from literature. The DNS code has been used to conduct a series of runs for freely-decaying turbulence. Decay was performed from a Gaussian random field as well as an evolved velocity field obtained from forced simulation. Since the initial condition does not describe developed turbulence, we are required to determine when the field can be considered to be evolved and measurements are characteristic of decaying turbulence. We explore the use of power-law decay of the total energy and compare with the use of dynamic quantities such as the peak dissipation rate, maximum transport power and velocity derivative skewness. We then show how this choice of evolved time affects the measurement of statistics. In doing so, it is found that the Taylor dissipation surrogate, u^3 / L, is a better surrogate for the maximum inertial flux than dissipation. Stationary turbulence has also been investigated, where we ensure that the energy input rate remains constant for all runs and variation is only introduced by modifying the fluid viscosity (and lattice size). We present results for Reynolds numbers up to Rλ = 335 on a 1024^3 lattice. Using different methods of vortex identification, the persistence of intermittent structure in an ensemble average is considered and shown to be reduced as the ensemble size increases. The longitudinal structure functions are computed for smaller lattices directly from an ensemble of realisations of the real-space velocity field. From these, we consider the generalised structure functions and investigate their scaling exponents using direct analysis and extended self-similarity (ESS), finding results consistent with the literature. An exploitation of the pseudo-spectral technique is used to calculate second- and third-order structure functions from the energy and transfer spectra, with a comparison presented to the real-space calculation. An alternative to ESS is discussed, with the second-order exponent found to approach 2/3. The dissipation anomaly is then considered for both forced and free-decay. Using different choices of the evolved time for a decaying simulation, we show how the behaviour of the dimensionless dissipation coefficient is affected. The Karman-Howarth equation (KHE) is studied and a derivation of a work term presented using a transformation of the Lin equation. The balance of energy represented by the KHE is then investigated using the pseudo-spectral method mentioned above. The consequences of this new input term for the structure functions are discussed. Based on the KHE, we develop a model for the behaviour of the dimensionless dissipation coefficient that predicts Cɛ= Cɛ(∞)+CL/RL. DNS data is used to fit the model. We find Cɛ(∞) = 0.47 and CL = 19.1 for forced turbulence, with excellent agreement to the data. Theoretical methods based on the renormalization group and statistical closures are still being developed to study turbulence. The dynamic RG procedure used by Forster, Nelson and Stephen (FNS) is considered in some detail and a disagreement in the literature over the method and results is resolved here. An additional constraint on the loop momentum is shown to cause a correction to the viscosity increment such that all methods of evaluation lead to the original result found by FNS. The application of statistical closure and renormalized perturbation theory is discussed and a new two-time model probability density functional presented. This has been shown to be self-consistent to second order and to reproduce the two-time covariance equation of the local energy transfer (LET) theory. Future direction of this work is discussed.

La simulation d'écoulements dans des cavités cylindriques en rotation présente une difficulté particulière en raison de l'apparition de singularités sur l'axe. Le présent travail propose une méthode collocative pseudospectrale suffisamment efficace et précise pour surmonter cette difficulté et résoudre les équations 3D de Navier-Stokes écrites en coordonnées cylindriques. Cette méthode a été développée dans le cadre des différentes études menées au laboratoire M2P2, utilisant une méthode collocative de type Chebychev dans les directions radiale et axiale et Fourier-Galerkin dans la direction azimutale [thêta]. Pour éviter de prescrire des conditions sur l'axe, une nouvelle approche a été développée. Le domaine de calcul est défini par (r,[thêta],z)&#8712;[-1,1]×[0,2π]×[-1,1] avec un nombre N pair de points de collocation dans la direction radiale. Ainsi, r=0 n'est pas un point de collocation. La distribution de points de type Gauss-Lobatto selon r et z densifie le maillage seulement près des parois ce qui rend l'algorithme bien adapté pour simuler les écoulements dans des cavités cylindriques en rotation. Dans la direction azimutale, le chevauchement des points dû à la discrétisation est évitée par l'introduction d'un décalage égal à π/2K à [thêta]>π dans la transformée de Fourier. La méthode conserve la convergence spectrale. Des comparaisons avec des résultats expérimentaux et numériques de la littérature montrent un très bon accord pour des écoulements induits par la rotation d'un disque dans des cavités cylindriques fermées. / When simulating flows in cylindrical rotating cavities, a difficulty arises from the singularities appearing on the axis. In the same time, the flow field itself does not have any singularity on the axis and this singularity is only apparent. The present work proposes an efficient and accurate collocation pseudospectral method for solving the 3D Navier-Stokes equations using cylindrical coordinates. This method has been developed in the framework of different studies of rotor-stator flows, using Chebyshev collocation in the radial and axial directions and Fourier-Galerkin approximation in the azimuthal periodic direction [thêta]. To avoid the difficulty on the axis without prescribing any pole and parity conditions usually required, a new approach has been developed. The calculation domain is defined as (r,[thêta];,z)&#8712;[-1,1]×[0,2π]×[-1,1] using an even number N of collocation points in the radial direction. Thus, r=0 is not a collocation point. The method keeps the spectral convergence. The grid-point distribution densifies the mesh only near the boundaries that makes the algorithm well-suited to simulate rotating cavity flows where thin layers develop along the walls. In the azimuthal direction, the overlap in the discretization is avoided by introducing a shift equal to π/2K for [thêta]>π in the Fourier transform. Comparisons with reliable experimental and numerical results of the literature show good quantitative agreements for flows driven by rotating discs in cylindrical cavities. Associated to a Spectral Vanishing Viscosity, the method provides very promising LES results of turbulent cavity flows with or without heat transfer.

The complexity of numerical ocean circulation models requires careful checking with a variety of test problems. The purpose of this paper is to develop a test problem involving Rossby and gravity waves in a two-layer fluid in a channel. The goal is to compute very accurate solutions to this test problem. These solutions can then be used as a part of the checking process for numerical ocean circulation models. Here, Chebychev pseudo-spectral methods are used to solve the governing equations with a high degree of accuracy. Chebychev pseudo-spectral methods can be described in the following way: For a given function, find the polynomial interpolant at a particular non-uniform grid. The derivative of this polynomial serves as an approximation to the derivative of the original function. This approximation can then be inserted to differential equations to solve for approximate solutions. Here, the governing equations reduce to an eigenvalue problem with eigenvectors and eigenvalues corresponding to the spatial dependences of modal solutions and the frequencies of those solutions, respectively. The results of this method are checked in two ways. First, the solutions using the Chebychev pseudo-spectral methods are analyzed and are found to exhibit the properties known to belong to physical Rossby and gravity waves. Second, in the special case where the two-layer model degenerates to a one-layer system, some analytic solutions are known. When the numerical solutions are compared to the analytic solutions, they show an exponential rate of convergence. The conclusion is that the solutions computed using the Chebychev pseudo-spectral methods are highly accurate and could be used as a test problem to partially check numerical ocean circulation models. / Graduation date: 2012

Control of the transition of laminar flow to turbulence would result in lower drag and reduced energy consumption in many engineering applications. A spectral state-space model of linearised plane Poiseuille flow with wall transpiration ac¬tuation and wall shear measurements is developed from the Navier-Stokes and continuity equations, and optimal controllers are synthesized and assessed in sim¬ulations of the flow. The polynomial-form collocation model with control by rate of change of wall-normal velocity is shown to be consistent with previous interpo¬lating models with control by wall-normal velocity. Previous methods of applying the Dirichlet and Neumann boundary conditions to Chebyshev series are shown to be not strictly valid. A partly novel method provides the best numerical behaviour after preconditioning. Two test cases representing the earliest stages of the transition are consid¬ered, and linear quadratic regulators (LQR) and estimators (LQE) are synthesized. Finer discretisation is required for convergence of estimators. A novel estimator covariance weighting improves estimator transient convergence. Initial conditions which generate the highest subsequent transient energy are calculated. Non-linear open- and closed-loop simulations, using an independently derived finite-volume Navier-Stokes solver modified to work in terms of perturbations, agree with linear simulations for small perturbations. Although the transpiration considered is zero net mass flow, large amounts of fluid are required locally. At larger perturbations the flow saturates. State feedback controllers continue to stabilise the flow, but estimators may overshoot and occasionally output feedback destabilises the flow. Actuation by simultaneous wall-normal and tangential transpiration is derived. There are indications that control via tangential actuation produces lower highest transient energy, although requiring larger control effort. State feedback controllers are also synthesized which minimise upper bounds on the highest transient energy and control effort. The performance of these controllers is similar to that of the optimal controllers.

This thesis is motivated by problems studied as part of the Diavik Waste Rock Pile Project. Located at the Diavik Diamond Mine in the Northwest Territories, with academic support from the University of Waterloo, the University of Alberta, and the University of British Columbia, this project focuses on constructing mine waste rock piles and studying their physical and chemical properties and the transport processes within them. One of the main reasons for this investigation is to determine the effect of environmental factors on acid mine drainage (AMD) due to sulfide oxidation and the potential environmental impact of AMD. This research is concerned with modeling pressure driven flow through waste rock piles. Unfortunately, because of the irregular shape of the piles, very little data for fluid flow about such an obstacle exists, and the numerical techniques available to work with this domain are limited. Since this restricts the study of the mathematics behind the flow, this thesis focuses on a cylindrical domain, since flow past a solid cylinder has been subjected to many years of study. The cylindrical domain also facilitates the implementation of a pseudo-spectral method. This thesis examines a pressure driven flow through a cylinder of variable permeability subject to turbulent forcing. An equation for the steady flow of an incompressible fluid through a variable permeability porous medium is derived based on Darcy's law, and a pseudo-spectral model is designed to solve the problem. An unsteady time-dependent model for a slightly compressible fluid is then presented, and the unsteady flow through a constant permeability cylinder is examined. The steady results are compared with a finite element model on a trapezoidal domain, which provides a better depiction of a waste rock pile cross section.

Density stratification is one of the essential underlying physical mechanisms for atmospheric and oceanic flow. As a first step to investigating the mechanisms of stratified turbulence, linear stability plays a critical role in determining under what conditions a flow remains stable or unstable. In the study of transition to stratified turbulence, a common vortex model, known as the Lamb-Chaplygin dipole, is used to investigate the conditions under which stratified flow transitions to turbulence. Numerous investigations have determined that a critical length scale, known as the buoyancy length, plays a key role in the breakdown and transition to stratified turbulence. At this buoyancy length scale, an instability unique to stratified flow, the zigzag instability, emerges. However investigations into sub-buoyancy length scales have remained unexplored. In this thesis we discover and investigate a new instability of the Lamb-Chaplyin dipole that exists at the sub-buoyancy scale. Through numerical linear stability analysis we show that this short-wave instability exhibits growth rates similar to that of the zigzag instability. We conclude with nonlinear studies of this short-wave instability and demonstrate this new instability saturates at a level proportional to the cube of the aspect ratio.

This thesis considers spectral approaches to finding maximum cocliques in graphs. We focus on the relation between the eigenspaces of a graph and the size and location of its maximum cocliques. Our main result concerns the computational problem of finding the size of a maximum coclique in a graph. This problem is known to be NP-Hard for general graphs. Recently, Codenotti et al. showed that computing the size of a maximum coclique is still NP-Hard if we restrict to the class of circulant graphs. We take an alternative approach to this result using quotient graphs and coding theory. We apply our method to show that computing the size of a maximum coclique is NP-Hard for the class of Cayley graphs for the groups $\mathbb{Z}_p^n$ where $p$ is any fixed prime. Cocliques are closely related to equitable partitions of a graph, and to parallel faces of the eigenpolytopes of a graph. We develop this connection and give a relation between the existence of quadratic polynomials that vanish on the vertices of an eigenpolytope of a graph, and the existence of elements in the null space of the Veronese matrix. This gives a us a tool for finding equitable partitions of a graph, and proving the non-existence of equitable partitions. For distance-regular graphs we exploit the algebraic structure of association schemes to derive an explicit formula for the rank of the Veronese matrix. We apply this machinery to show that there are strongly regular graphs whose $\tau$-eigenpolytopes are not prismoids. We also present several partial results on cocliques and graph spectra. We develop a linear programming approach to the problem of finding weightings of the adjacency matrix of a graph that meets the inertia bound with equality, and apply our technique to various families of Cayley graphs. Towards characterizing the maximum cocliques of the folded-cube graphs, we find a class of large facets of the least eigenpolytope of a folded cube, and show how they correspond to the structure of the graph. Finally, we consider equitable partitions with additional structural constraints, namely that both parts are convex subgraphs. We show that Latin square graphs cannot be partitioned into a coclique and a convex subgraph.