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.

Current methods for solving thennoelasticity problems involve using finite element analysis, boundary element analysis, or other meshed-type methods to determine the deflections under an imposed temperature/stress field. This thesis will detail a new approach using meshless methods to solve these types of thermoelasticity problems in which the solution is independent of boundary and internal meshing. With the rapidly increasing availability and performance of computer workstations and clusters, the major time requirement for solving a thermoelasticity model is no longer the computation time, but rather the problem setup. Defining the required mesh for a complex geometry can be extremely complicated and time consuming, and new methods are desired that can reduce this model setup time. The proposed meshless methods completely eliminate the need for a mesh, and thus, eliminate the need for complicated meshing procedures. Although the savings gain due to eliminating the meshing process would be more than sufficient to warrant further study, the localized meshless method can also be comparable in computational speed to more traditional finite element solvers when analyzing complex problems. The reduction of both setup and computational time makes the meshless approach an ideal method of solving coupled thermoelasticity problems. Through the development of these methods it can be determined whether they are feasible as potential replacements for more traditional solution methods. More specifically, two methods will be covered in depth from the development to the implementation. The first method covered will be the global meshless method and the second will be the improved localized method. Although they both produce similar results in terms of accuracy, the localized method greatly improves upon the stability and computation time of the global method.

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.

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.

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La modélisation structurale consiste à approximer les structures géologiques du sous-sol en un modèle numérique afin d'en visualiser la géométrie et d'y effectuer des calculs d'estimation et de prédiction. L'approche implicite de la modélisation structurale utilise des données de terrain interprétées pour construire une fonction volumétrique sur le domaine d'étude qui représente la géologie. Cette fonction doit honorer les observations, interpoler entre ces dernières, et extrapoler dans les zones sous-échantillonnées tout en respectant les concepts géologiques. Les méthodes actuelles portent cette interpolation soit sur les données, soit sur un maillage. Ensuite, le problème de modélisation est posé selon la discrétisation choisie : par krigeage dual sur les points de donnée ou en définissant un critère de rugosité sur les éléments du maillage. Dans cette thèse, nous proposons une formulation continue de la modélisation structurale par méthodes implicites. Cette dernière consiste à minimiser une somme de fonctionnelles arbitraires. Les contraintes de donnée sont imposées avec des fonctionnelles discrètes, et l'interpolation est contrôlée par des fonctionnelles continues. Cette approche permet de (i) développer des liens entre les méthodes existantes, (ii) suggérer de nouvelles discrétisations d'un même problème de modélisation, et (iii) modifier le problème de modélisation pour mieux honorer certains cas géologiques sans dépendre de la discrétisation. Nous portons également une attention particulière à la gestion des discontinuités telles que les failles et les discordances. Les méthodes existantes nécessitent soit la création de zones volumétriques avec des géométries complexes, soit la génération d'un maillage volumétrique dont les éléments sont conformes aux surfaces de discontinuité. Nous montrons, en explorant des méthodes sans maillage locales et des concepts de réduction de maillage, qu'il est possible d'assurer l'interpolation des structures tout en réduisant les contraintes liées à la gestion des discontinuités. Deux discrétisations de notre problème de minimisation sont suggérées : l'une utilise les moindres carrés glissants avec des critères optiques pour la gestion des discontinuités, et l'autre utilise des fonctions issues de la méthode des éléments finis avec le concept de nœuds fantômes pour les discontinuités. Une étude de sensibilité et une comparaison des deux méthodes sont proposées en 2D, ainsi que quelques exemples en 3D. Les méthodes développées dans cette thèse ont un grand impact en termes d'efficacité numérique et de gestion de cas géologiques complexes. Par exemple, il est montré que notre problème de minimisation au sens large apporte plusieurs solutions pour la gestion de cas de plis sous-échantillonnés et de variations d'épaisseur dans les couches stratigraphiques. D'autres applications sont également présentées tels que la modélisation d'enveloppe de sel et la restauration mécanique. / Implicit structural modeling consists in approximating geological structures into a numerical model for visualization, estimations, and predictions. It uses numerical data interpreted from the field to construct a volumetric function on the domain of study that represents the geology. The function must fit the observations, interpolate in between, and extrapolate where data are missing while honoring the geological concepts. Current methods support this interpolation either with the data themselves or using a mesh. Then, the modeling problem is posed depending on these discretizations: performing a dual kriging between data points or defining a roughness criterion on the mesh elements. In this thesis, we propose a continuous formulation of implicit structural modeling as a minimization of a sum of generic functionals. The data constraints are enforced by discrete functionals, and the interpolation is controlled by continuous functionals. This approach enables to (i) develop links between the existing methods, (ii) suggest new discretizations of the same modeling problem, and (iii) modify the minimization problem to fit specific geological issues without any dependency on the discretization. Another focus of this thesis is the efficient handling of discontinuities, such as faults and unconformities. Existing methods require either to define volumetric zones with complex geometries, or to mesh volumes with conformal elements to the discontinuity surfaces. We show, by investigating local meshless functions and mesh reduction concepts, that it is possible to reduce the constraints related to the discontinuities while performing the interpolation. Two discretizations of the minimization problem are then suggested: one using the moving least squares functions with optic criteria to handle discontinuities, and the other using the finite element method functions with the concept of ghost nodes for the discontinuities. A sensitivity analysis and a comparison study of both methods are performed in 2D, with some examples in 3D. The developed methods in this thesis prove to have a great impact on computational efficiency and on handling complex geological settings. For instance, it is shown that the minimization problem provides the means to manage under-sampled fold structures and thickness variations in the layers. Other applications are also presented such as salt envelope surface modeling and mechanical restoration.

Objectives: The main objective of the current dissertation is to establish a formal shape optimization procedure for a given bypass grafts end-to-side distal anastomosis (ETSDA). The motivation behind this dissertation is that most of the previous ETSDA shape optimization research activities cited in the literature relied on direct optimization approaches that do not guaranty accurate optimization results. Three different ETSDA models are considered herein: The conventional, the Miller cuff, and the hood models. Materials and Methods: The ETSDA shape optimization is driven by three computational objects: a localized collocation meshless method (LCMM) solver, an automated geometry pre-processor, and a genetic-algorithm-based optimizer. The usage of the LCMM solver is very convenient to set an autonomous optimization mechanism for the ETSDA models. The task of the automated pre-processor is to randomly distribute solution points in the ETSDA geometries. The task of the optimized is the adjust the ETSDA geometries based on mitigation of the abnormal hemodynamics parameters. Results: The results reported in this dissertation entail the stabilization and validation of the LCMM solver in addition to the shape optimization of the considered ETSDA models. The LCMM stabilization results consists validating a custom-designed upwinding scheme on different one-dimensional and two-dimensional test cases. The LCMM validation is done for incompressible steady and unsteady flow applications in the ETSDA models. The ETSDA shape optimization include single-objective optimization results in steady flow situations and bi-objective optimization results in pulsatile flow situations. Conclusions: The LCMM solver provides verifiably accurate resolution of hemodynamics and is demonstrated to be third order accurate in a comparison to a benchmark analytical solution of the Navier-Stokes. The genetic-algorithm-based shape optimization approach proved to be very effective for the conventional and Miller cuff ETSDA models. The shape optimization results for those two models definitely suggest that the graft caliber should be maximized whereas the anastomotic angle and the cuff height (in the Miller cuff model) should be chosen following a compromise between the wall shear stress spatial and temporal gradients. The shape optimization of the hood ETSDA model did not prove to be advantageous, however it could be meaningful with the inclusion of the suture line cut length as an optimization parameter.

This thesis explores the application of Radial Basis Functions (RBFs) to fluid dynamical problems. In particular, stationary Stokes and Navier-Stokes equations are solved using RBF collocation method. An existing approach from the literature, is enchanced by an additional polynomial basis and a new preconditioner. A faster method based on the partition of unity is introduced for stationary Stokes equations. Finally, a global method based on Picard linearization is introduced for stationary Navier-Stokes equations. / Denna avhandling utforskar tillämpningen av Radial Basis Functions (RBF) på dynamiska problem med vätskor. I synnerhet löses stationära Stokes och Navier-Stokes ekvationer lösas med hjälp av RBF-samlokaliseringsmetoden. En befintlig metod från litteraturen, förbättras genom en ytterligare polynombas och en ny förkonditionering. En snabbare metod baserad på enhetens partition introduceras för stationära Stokes-ekvationer. Slutligen introduceras en global metod baserad på Picard linjärisering för stationära Navier-Stokes ekvationer.

Meshless methods provide a highly continuous approximation field, convenient for thin structures like shells. Nevertheless, the lack of Kronecker Delta property makes the formulation of essential boundary conditions not straightforward, as the trial and test fields cannot be tailored to boundary values. Similar problem arise when different approximation regions must be joined, in a multi-region problem, such as kinks, folds or joints. This work presents three approaches to impose both kinematic conditions: the well known Lagrange Multiplier method, used since the beginning of the Element Free Galerkin method; a pure penalty approach; and the recently rediscovered alternative of Nitsche\'s Method. We use the EFG discretization technique for thick Reissner-Mindlin shells and adapt the weak form as to separate displacement and rotational degrees of freedom and obtain suitable and separate stabilization parameters. This approach enables the modeling of discontinuous shells and local refinement on multi-region problems. / Métodos sem malha geram campos de aproximação com alta continuidade, convenientes para estruturas finas como cascas. No entanto, a ausência da propriedade de Delta de Kronecker dificulta a formulação de condições essenciais de contorno, já que os campos de aproximação e teste não podem ser moldados aos valores de contorno. Um problema similar aparece quando diferentes regiões de aproximação precisam ser juntadas em um problema multi-regiões como dobras, vincos ou junções. Este trabalho apresenta três métodos de imposição ambas condições cinemáticas: o já conhecido método dos multiplicadores de Lagrange, usado desde o começo do método de Galekin sem elementos (EFG); uma abordagem de penalidade pura; e o recentemente redescoberto método de Nitsche. Nós usamos a técnica de discretização com EFG para cascas espessas de Reissner-Mindlin e adaptamos a forma fraca de forma a separar graus de liberdade de deslocamento e rotação e obter coeficientes de estabilização diferentes e apropriados. Essa abordagem permite a modelagem de cascas discontínuas e o refinamento local em problemas multi-regiões.

Recent technological advances are based on effectively using complex multiphysics concepts. Therefore, there is an ever increasing need for accurate numerical al-gorithms of reduced complexity for solving multiphysics problems. Traditional mesh-based simulation methods depend on a neighbor connectivity information for formulation of operators like derivatives. In large deformation problems, de-pendence on a mesh could prove a limitation in terms of accuracy and cost of preprocessing. Meshless methods obviate the need to construct meshes thus al-lowing simulations involving severe geometric deformations such as breakup of a contiguous domain into multiple fragments. Smoothed Particle Hydrodynamics (SPH) is a meshless particle based Lagrangian numerical method that has the longest continuous history of development ever since it was introduced in 1977. Commensurate with the significant growth in computational power, SPH has been increasingly applied to solve problems of greater complexity in fluid mechanics, solid mechanics, interfacial flows and astrophysics to name a few. The SPH approximation of the continuity and momentum equations govern-ing fluid flow traditionally involves a stiff equation of state relating pressure and density, when applied to incompressible flow problems. Incompressible Smoothed Particle Hydrodynamics (ISPH) is a variant of SPH that replaces this weak com-pressibility approach with a pressure equation that gives a hydrostatic pressure field which ensures a divergence-free (or density invariant) velocity field. The present study explains the development of an ISPH algorithm and its implementa-tion with focus on application to free surface flows, interaction of fluid with rigid bodies and coupling of incompressible fluids with a compressible second phase. Several improvements to the exiting ISPH algorithm are proposed in this study. A semi-analytic free surface model which is more accurate and robust compared to existing algorithms used in ISPH methods is introduced, validated against experi-ments and grid based CFD results. A surface tension model with specific applica-bility to free surfaces is presented and tested using 2D and 3D simulations. Using theoretical arguments, a volume conservation error in existing particle methods in general is demonstrated. A deformation gradient based approach is used to derive a new pressure equation which reduces these errors. The method is ap-plied to both free surface and internal flow problems and is shown to have better volume conservation and therefore reduced density fluctuations. Also, comments on instabilities arising from particle distributions are made and the role of the smoothing functions in such instabilities is discussed. The challenges in imple-menting the ISPH algorithm in a computer code are discussed and the experience of developing an in-house ISPH code is described. A parametric study on water entry of cylinders of different shapes, angular velocity and density is performed and aspects such as surface profiles, impact pressures and penetration velocities are compared. An analysis on the energy transfer between the solid and the fluid is also performed. Low Froude number water entry of a sphere is studied and the impact pressure is compared with the theoretical estimates. The Incompressible SPH formulation, employing the proposed improvements from the study is then coupled with a compressible SPH formulation to perform two phase flow simulations interacting compressible and incompressible fluids. To gain confidence in its applicability, the simulations are compared against the theoretical predication given by the Rayleigh-Plesset equation for the problem of compressible drop in an incompressible fluid.