Meshless methods are a relatively new class of schemes for the numerical solution of partial differential equations. Their special characteristic is that they do not require a mesh but only need a distribution of points in the computational domain. The approximation at any point of spatial derivatives appearing in the partial differential equations is performed using a local cloud of points called the "connectivity" (or stencil). A point distribution can be more easily generated than a grid since we have less constraints to satisfy. The present work uses two meshless methods; an existing scheme called Least Squares Kinetic Upwind Method (LSKUM) and a new scheme called Kinetic Meshless Method (KMM). LSKUM is a "kinetic" scheme which uses a "least squares" approximation} for discretizing the derivatives occurring in the partial differential equations. The first part of the thesis is concerned with some theoretical properties and application of LSKUM to 3-D point distributions. Using previously established results we show that first order LSKUM in 1-D is positivity preserving under a CFL-like condition. The 3-D LSKUM is applied to point distributions obtained from FAME mesh. FAME, which stands for Feature Associated Mesh Embedding, is a composite overlapping grid system developed at QinetiQ (formerly DERA), UK, for store separation problems. The FAME mesh has a cell-based data structure and this is first converted to a node-based data structure which leads to a point distribution. For each point in this distribution we find a set of nearby nodes which forms the connectivity. The connectivity at each point (which is also the "full stencil" for that point) is split along each of the three coordinate directions so that we need six split (or half or one-sided) stencils at each point. The split stencils are used in LSKUM to calculate the split-flux derivatives arising in kinetic schemes which gives the upwind character to LSKUM. The "quality" of each of these stencils affects the accuracy and stability of the numerical scheme. In this work we focus on developing some numerical criteria to quantify the quality of a stencil for meshless methods like LSKUM. The first test is based on singular value decomposition of the over-determined problem and the singular values are used to measure the ill-conditioning (generally caused by a flat stencil). If any of the split stencils are found to be ill-conditioned then we use the full stencil for calculating the corresponding split flux derivative. A second test that is used is based on an accuracy measurement. The idea of this test is that a "good" stencil must give accurate estimates of derivatives and vice versa. If the error in the computed derivatives is above some specified tolerance the stencil is classified as unacceptable. In this case we either enhance the stencil (to remove disc-type degenerate structure) or switch to full stencil. It is found that the full stencil almost always behaves well in terms of both the tests. The use of these two tests and the associated modifications of defective stencils in an automatic manner allows the solver to converge without any blow up. The results obtained for a 3-D configuration compare favorably with wind tunnel measurements and the framework developed here provides a rational basis for approaching the connectivity selection problem. The second part of the thesis deals with a new scheme called Kinetic Meshless Method (KMM) which was developed as a consequence of the experience obtained with LSKUM and FAME mesh. As mentioned before the full stencil is generally better behaved than the split stencils. Hence the new scheme is constructed so that it does not require split stencils but operates on a full stencil (which is like a centered stencil). In order to obtain an upwind bias we introduce mid-point states (between a point and its neighbour) and the least squares fitting is performed using these mid-point states. The mid-point states are defined in an upwind-biased manner at the kinetic/Boltzmann level and moment-method strategy leads to an upwind scheme at the Euler level. On a standard 4-point Cartesian stencil this scheme reduces to finite volume method with KFVS fluxes. We can also show the rotational invariance of the scheme which is an important property of the governing equations themselves. The KMM is extended to higher order accuracy using a reconstruction procedure similar to finite volume schemes even though we do not have (or need) any cells in the present case. Numerical studies on a model 2-D problem show second order accuracy. Some theoretical and practical advantages of using a kinetic formulation for deriving the scheme are recognized. Several 2-D inviscid flows are solved which also demonstrate many important characteristics. The subsonic test cases show that the scheme produces less numerical entropy compared to LSKUM, and is also better in preserving the symmetry of the flow. The test cases involving discontinuous flows show that the new scheme is capable of resolving shocks very sharply especially with adaptation. The robustness of the scheme is also very good as shown in the supersonic test cases.

Since the introduction of modern computers, numerical methods for atmospheric simulations have routinely been applied for weather prediction, and in the last fifty years, there has been a steady improvement in the accuracy of forecasts. Accurate numerical models of the atmosphere are also becoming more important as researchers rely on global climate simulations to assess and understand the impact of global warming. The choice of grid in a numerical model is an important design decision and no obvious optimal choice exists for computations in spherical geometry. Despite this disadvantage, grid-based methods are found in all current circulation models. A different approach to the issue of discretizing the surface of the sphere is given by meshless methods, of which radial basis function (RBF) methods are becoming prevalent. In this thesis, RBF methods for simulation of atmospheric flows are explored. Several techniques are introduced to increase the efficiency of the methods. By utilizing a novel algorithm for adaptively placing the node points, accuracy is shown to improve by over one order of magnitude for two relevant test problems. The computational cost can also be reduced by using a local finite difference-like RBF scheme. However, this requires a stabilization mechanism for the hyperbolic problems of interest here. A hyper-viscosity scheme is introduced to address this issue. Another stability issue arising from the ill-conditioning of the RBF basis for almost-flat basis functions is also discussed in the thesis, and two algorithms are proposed for dealing with this stability problem. The algorithms are specifically tailored for the task of creating finite difference weights using RBFs and are expected to overcome the issue of stationary error in local RBF collocation.

O σκοπός της παρούσας διδακτορικής διατριβής είναι διττός και, εμπεριέχει δραστηριότητα τόσο στο κομμάτι της εφαρμοσμένης όσο και της βασικής έρευνας. Πιο συγκεκριμένα, περιλαμβάνει την εφαρμογή σύγχρονων υπολογιστικών μεθόδων (Μέθοδος Πεπερασμένων Στοιχείων, Μέθοδος Πεπερασμένων Όγκων) στη μελέτη της ροής του αίματος, καθώς και την ανάπτυξη σύγχρονων υπολογιστικών μεθοδολογιών που δε στηρίζονται στη χρήση πλέγματος. Ταυτόχρονα μελετάται η αποτελεσματική εφαρμογή των μεθόδων της Υπολογιστικής Ρευστομηχανικής στην ιατρική πρακτική (Simulation Treatment Planning), για την αποτελεσματική πρόληψη, διάγνωση και θεραπευτική αντιμετώπιση των νόσων του καρδιακού και περιφερικού αγγειακού συστήματος. Η διαδικασία υλοποίησης των προσομοιώσεων έχουν σκοπό την υποβοήθηση του θεράποντα ιατρού στη λήψη ιατρικής απόφασης σχετικά με τη θεραπευτική αγωγή. Παράλληλα, στο κομμάτι της βασικής έρευνας αναπτύσσονται σύγχρονες υπολογιστικές μέθοδοι οι οποίες πρόκειται να καλύψουν τις αδυναμίες που παρουσιάζουν οι διαδεδομένες υπολογιστικές μέθοδοι. Η υλοποίησή τους βρίσκει ανταπόκριση και πεδίο εφαρμογής σε διάφορους τομείς της Επιστήμης και της Μηχανικής. Έτσι, θα παρουσιαστούν αποτελέσματα μόνο στο τομέα της Υπολογιστικής Ρευστομηχανικής. Τα κριτήρια αυτά θα στηριχθούν σε ποσοτικές συνδυαστικές αναλύσεις, οι οποίες ενσωματώνουν το state-of-the-art της μορφολογικής απεικόνισης των αγγείων στο state-of-the-art των μεθοδολογιών της υπολογιστικής ρευστομηχανικής, οι οποίες είναι άμεσα σχετιζόμενες με την εκτίμηση των αιμοδυναμικών παραγόντων και τάσεων που εφαρμόζονται σε πάσχουσες περιοχές του αγγειακού συστήματος, όπως στενώσεις, θρόμβοι και ανευρύσματα. / The aim of present doctoral thesis is double fold and, includes research activity both in the fields of applied and basic research. More precisely, it includes the application of modern numerical methods (Finite Element Method, Finite Volume Method) for the study of blood flow, as well as the development of modern numerical methodologies, which do not rely on the use of a computational mesh, that is the so-called meshless or Meshfree methods. Furthermore, the effective application of sophisticated numerical methods in the medical practice (Simulation Treatment Planning) has been studied, since there is a great necessity for effective prevention, diagnosis and therapeutic confrontation of illnesses the cardiac and vascular system. The simulation conducted they aim to assist the doctor in the decision-making. At the same time, regarding of area of the basic research, sophisticated numerical methods were developed and applied to various applications of science and engineering. More precisely, results will be presented for Computational Fluid Dynamics problems.

O Método dos Elementos Finitos é a forma mais difundida de análise estrutural numérica, com aplicações nas mais diversas teorias estruturais. Contudo, no estudo das cascas e alguns outros usos, suas deficiências impulsionaram a pesquisa em outros métodos de resolução de Equações Diferenciais Parciais. O presente trabalho utiliza uma dessas alternativas, o Método de Galerkin Livre de Elementos (Element-Free Galerkin) para estudar as cascas. Inicia com a observação da aproximação usada no método, os Moving Least Squares e os Multiple-Fixed Least Squares. A seguir, estabelece uma formulação que combina a teoria de placas moderadamente espessas de Reissner-Mindlin à teoria da Elasticidade Plana e se utiliza da aproximação estudada para analisar placas e chapas deste tipo. Depois, expõe uma teoria geometricamente exata de cascas inicialmente curvas onde as curvaturas iniciais são impostas como deformações livres de tensão a partir de uma configuração de referência plana. Tal teoria exclui a necessidade de coordenadas curvilíneas e consequentemente da utilização de objetos como os símbolos de Cristoffel, já que todas as integrações e imposições são feitas na configuração plana de referência, em um sistema ortonormal de coordenadas. A imposição das condições essenciais de contorno é feita por forma fraca, resultando em um funcional híbrido de deslocamentos que permite a maleabilidade necessária ao uso dos Moving Least Squares. Esse trabalho se propõe a particularizar tal teoria para o caso de pequenos deslocamentos e deformações (linearidade geométrica), mantendo a consistência das definições de tensões e deformações generalizadas enquanto permite uma imposição da forma fraca resultante, depois de discretizada, por um sistema linear de equações. Por fim, exemplos numéricos são usados para discutir sua eficácia e exatidão. / The Finite Element Method is the most spread numerical analysis tool, applied to a wide range of structural theories. However, for the study of shells and other problems, some of its deficiencies have stimulated research in other methods for solving the derived Partial Differential Equations. The present work uses one of those alternatives, the Element Free Galerkin Method, for the study of shells. It begins with the observation of the approximation used in the method, Moving Least Squares and Multiple-Fixed Least Squares. Then, it establishes a formulation that combines the Reissner-Mindlin moderately thick plate theory with plane elasticity, and uses the proponed approximation to analyze such plates and stabs. Afterwards, it demonstrates a geometrically exact shell theory that accounts for initial curvatures as a stress-free deformation from a flat reference configuration. Such theory precludes the use of curvilinear coordinates and, subsequently, the use of objects such as Cristoffel symbols, as all integrations and impositions are done in the flat reference configuration, in an orthogonal frame. The essential boundary conditions are imposed in a eak statement, rendering a hybrid displacement functional that provides the necessary conditions for the use of Moving Least Squares. This works main objective is the particularization of this theory for the small displacement and strains assumption (geometrical linearity), keeping the consistent definition of generalized stresses and strains, while allowing the imposition of the discretized weak form through a system of linear equations. Lastly, numerical simulations are carried out to assess the methods efficiency and accuracy.

Doctor of Philosophy / Department of Mechanical and Nuclear Engineering / Prakash Krishnaswami / Xiao J. Xin / Over the past two decades meshless methods have attracted much attention owing to their advantages in adaptivity, higher degree of solution field continuity, and capability to handle moving boundary and changing geometry. In this work, a meshless integral method based on the regularized boundary integral equation has been developed and applied to two-dimensional linear elasticity and elastoplasticity with small or large deformation. The development of the meshless integral method and its application to two-dimensional linear elasticity is described first. The governing integral equation is obtained from the weak form of elasticity over a local sub-domain, and the moving least-squares approximation is employed for meshless function approximation. This formulation incorporates: a subtraction method for singularity removal in the boundary integral equation, a special numerical integration for the calculation of integrals with weak singularity which further improves accuracy, a collocation method for the imposition of essential boundary conditions, and a method for incorporation of natural boundary conditions in the system governing equation. Next, elastoplastic material behavior with small deformation is introduced into the meshless integral method. The constitutive law is rate-independent flow theory based on von Mises yielding criterion with isotropic hardening. The method is then extended to large deformation plasticity based on Green-Naghdi’s theory using updated Lagrangian description. The Green-Lagrange strain is decomposed into the elastic and plastic part, and the elastoplastic constitutive law is employed that relates the Green-Lagrange strain to the second Piola-Kirchhoff stress. Finally, a pre- and post-processor for the meshless method using node- and pixel-based approach is presented. Numerical results from the meshless integral method agree well with available analytical solutions or finite element results, and the comparisons demonstrate that the meshless integral method is accurate and robust. This research lays the foundation for modeling and simulation of metal cutting processes.

La plupart des problèmes de la physique et de la mécanique conduisent à des équations aux dérivées partielles. Les nombreuses méthodes qui existent déjà sont de degré relativement bas. Dans cette thèse, nous proposons une méthode de très haut degré. Notre idée est d'augmenter l'ordre des fonctions d'interpolation via une technique de perturbation afin d'éviter ou de réduire les difficultés engendrées par les opérations très coûteuses comme les intégrations. En dimension 1, la technique proposée est proche de la P-version des éléments finis. Au niveau élémentaire, on approxime la solution par une série entière d'ordre p. Dans le cas d'une équation linéaire d'ordre 2, cette résolution locale permet de construire un élément de degré élevé, avec deux degrés de liberté par élément. Pour les problèmes nonlinéaires, une linéarisation du problème par la méthode de Newton s'impose. Des tests portant sur des équations linéaires et nonlinéaires ont permis de valider la méthode et de montrer que la technique a une convergence similaire à la p-version des éléments finis. En dimension 2, le problème se discrétise grâce à une réorganisation des polynômes en polynômes homogènes de degré k. Après une définition de variables dites principales et secondaires associé à un balayage vertical du domaine, le problème devient une suite de problème 1D. Une technique de collocation permet de prendre en compte les conditions aux limites et les conditions de raccord et de déterminer la solution du problème. La collocation couplée avec la technique des moindres carrés a permis de d'améliorer les premiers résultats et a ainsi rendu plus robuste la technique de perturbation / Most problems of physics and mechanics lead to partial differential equations. The many methods that exist are relatively low degree. In this thesis, we propose a method of very high degree. Our idea is to increase the order of interpolation function via a perturbation technique to avoid or reduce the difficulties caused by the high cost operations such as integrations. In dimension 1, the proposed technique is close to the P-version finite elements. At a basic level, approximates the solution by a power series of order p. In the case of a linear equation of order 2, the local resolution can build an element of degree, with two degrees of freedom per element. For nonlinear problems, a linearization of the problem by Newton's method is needed. Tests involving linear and nonlinear equations were used to validate the method and show that the technique has a similar convergence in the p-version finite elements. In dimension 2, the problem is discretized through reorganizing polynomials in homogeneous polynomials of degree k. After a definition of variables called principal and secondary combined with a vertical scanning field, the problem becomes a series of 1D problem. A collocation technique allows to take into account the boundary conditions and coupling conditions and determine the solution of the problem. The collocation technique coupled with the least-squares enabled to improve the initial results and has made more robust the perturbation technique

In this thesis, we study several nonlocal models to obtain their numerical solutions accurately and efficiently. In contrast to the classical (local) partial differential equation models, these nonlocal models are integro-differential equations that do not contain spatial derivatives. As a result, these nonlocal models allow their solutions to have discontinuities. Hence, they can be widely used for fracture problems and anisotropic problems. This thesis mainly includes two parts. The first part focuses on presenting accurate and efficient numerical methods. In this part, we first introduce three meshless methods including two global schemes, namely the radial basis functions collocation method (RBFCM) and the radial ba- sis functions-based pseudo-spectral method (RBF-PSM) and a localized scheme, namely the localized radial basis functions-based pseudo-spectral method (LRBF-PSM), which also gives the development process of the RBF methods from global to local. The comparison of these methods shows that LRBF-PSM not only avoids the Runge phenomenon but also has similar accuracy to the global scheme. Since the LRBF-PSM uses only a small subset of points, the calculation consumes less CPU time. Afterwards, we improve this scheme by adding enrichment functions so that it can be effectively applied to discontinuity problems. This thesis abbreviates this enriched method as LERBF-PSM (Localized enriched radial basis functions-based pseudo-spectral method). In the second part, we focus on applying the derived methods from the first part to nonlocal topics of current research, including nonlocal diffusion models, linear peridynamic models, parabolic/hyperbolic nonlocal phase field models, and nonlocal nonlinear Schrödinger equations arising in quantum mechanics. The first point worth noting is that in order to verify the meshless nature of LRBF-PSM, we apply this method to solve a two-dimensional steady-state continuous peridynamic model in regular, irregular (L-shaped and Y-shaped) domains with uniform and non-uniform discretizations and even extend this method to three dimensions. It is also worth noting that before solving nonlinear nonlocal Schrödinger equations, according to the property of the convolution, these partial integro-differential equations are transformed into equivalent or approximate partial differential equations (PDEs) in the whole space and then the LRBF-PSM is used for the spatial discretization in a finite domain with suitable boundary conditions. Therefore, the solutions can be quickly approximated.

Meshless methods have recently received much attention but are yet to reach their full potential as the required problem setup (i.e. collocation point distribution) is still significant and far from automated. The distribution of points still closely resembles the nodes of finite volume-type meshes and the free parameter, c, of the radial-basis expansion functions (RBF) still must be tailored specifically to a problem. The localized meshless collocation method investigated requires a local influence region, or topology, used as the expansion medium to produce the required field derivatives. Tests have shown a regular cartesian point distribution produces optimal results, however, in order to maintain a locally cartesian point distribution a recursive quadtree scheme is herein proposed. The quadtree method allows modeling of irregular geometries and refinement of regions of interest and it lends itself for full automation, thus, reducing problem setup efforts. Furthermore, the construction of the localized expansion regions is closely tied up to the point distribution process and, hence, incorporated into the automated sequence. This also allows for the optimization of the RBF free parameter on a local basis to achieve a desired level of accuracy in the expansion. In addition, an optimized auto-segmentation process is adopted to distribute and balance the problem loads throughout a parallel computational environment while minimizing communication requirements.

The vortex particle method (VPM) is a mesh-free approach to computational fluid dynamics (CFD) solving the Navier-Stokes equations in their velocity-vorticity form. The VPM uses a Lagrangian scheme, which not only avoids the hurdles of mesh generation, but it also conserves vortical structures over long distances with minimal numerical dissipation while being orders of magnitude faster than conventional mesh-based CFD. However, VPM is known to be numerically unstable when vortical structures break down close to the turbulent regime. In this study, we reformulate the VPM as a large eddy simulation (LES) in a scheme that is numerically stable, without increasing its computational cost. A new set of VPM governing equations are derived from the LES-filtered Navier-Stokes equations. The new equations reinforce conservation of mass and angular momentum by reshaping the vortex elements subject to vortex stretching. In addition to the VPM reformulation, a new anisotropic dynamic model of subfilter-scale (SFS) vortex stretching is developed. This SFS model is well suited for turbulent flows with coherent vortical structures where the predominant cascade mechanism is vortex stretching. Extensive validation is presented, asserting the scheme comprised of the reformulated VPM and SFS model as a meshless LES that accurately resolves large-scale features of turbulent flow. Advection, viscous diffusion, and vortex stretching are validated through simulation of isolated and leapfrogging vortex rings. Mean and fluctuating components of turbulent flow are validated through simulation of a turbulent round jet, in which Reynolds stresses are resolved directly and compared to experimental measurements. Finally, the computational efficiency of the scheme is showcased in the simulation of an aircraft rotor in hover, showing our meshless LES to be 100x faster than a mesh-based LES with similar fidelity. The ability to accurately and rapidly assess unsteady interactional aerodynamics is a shortcoming and bottleneck in the design of various next-generation aerospace systems: from electric vertical takeoff and landing (eVTOL) aircraft to airborne wind energy and wind farms. For instance, current models used in preliminary design fail to predict and assess configurations that may lead to the wake of a rotor impinging on another rotor or a wing during an eVTOL transition maneuver. In the second part of this dissertation, we address this shortcoming as we present a variable-fidelity CFD framework based on the reformulated VPM for simulating complex interactional aerodynamics. We further develop our meshless LES scheme to include rotors and wings in the computational domain through actuator models. A novel, vorticity-based, actuator surface model (ASM) is developed for wings, which is suitable for rotor-wing interactions when a wake impinges on the surface of a wing. This ASM imposes the no-flow-through condition at the airfoil centerline by calculating the circulation that meets this condition and by immersing the associated vorticity following a pressure-like distribution. Extensive validation of rotor-rotor and rotor-wing interactions predicted with our LES is presented, simulating two side-by-side rotors in hover, a tailplane with tip-mounted propellers, and a wing with propellers mounted mid-span. To conclude, the capabilities of the framework are showcased through the simulation of a multirotor tiltwing vehicle. The vehicle is simulated mid maneuver as it transitions from powered lift to wing-borne flight, featuring rotors with variable RPM and variable pitch, tilting of wings and rotors, and significant rotor-rotor and rotor-wing interactions from hover to cruise. Thus, the reformulated VPM provides aircraft designers with a high-fidelity LES tool that is orders of magnitude faster than mesh-based CFD, while also featuring variable-fidelity capabilities.

Bhom's hydrodynamic formulation (or quantum fluid dynamics) is an attractive approach since, it connects classical and quantum mechanical theories of matter through Hamilton-Jacobi (HJ) theory, and quantum potential. Lopreore and Wyatt derived and implemented one-dimensional quantum trajectory method (QTM), a new wave-packet approach, for solving hydrodynamic equations of motion on serial computing environment. Brook et al. parallelized the QTM on shared memory computing environment using a partially implicit method, and conducted accuracy study of a free particle. These studies exhibited a strange behavior of the relative error for the probability density referred to as the transient effect. In the present work, numerical experiments of Brook et al. were repeated with a view to identify the physical origin of the transient effect and its resolution. The present work used the QTM implemented on a distributed memory computing environment using MPI. The simulation is guided by an explicit scheme.