A meshless direct pressure-velocity coupling procedure is presented to perform Direct Numerical Simulations (DNS) and Large Eddy Simulations (LES) of turbulent incompressible flows in regular and irregular geometries. The proposed method is a combination of several efficient techniques found in different Computational Fluid Dynamic (CFD) procedures and it is a major improvement of the algorithm published in 2007 by this author. This new procedure has very low numerical diffusion and some preliminary calculations with 2D steady state flows show that viscous effects become negligible faster that ever predicted numerically. The fundamental idea of this proposal lays on several important inconsistencies found in three of the most popular techniques used in CFD, segregated procedures, streamline-vorticity formulation for 2D viscous flows and the fractional-step method, very popular in DNS/LES. The inconsistencies found become important in elliptic flows and they might lead to some wrong solutions if coarse grids are used. In all methods studied, the mathematical basement was found to be correct in most cases, but inconsistencies were found when writing the boundary conditions. In all methods analyzed, it was found that it is basically impossible to satisfy the exact set of boundary conditions and all formulations use a reduced set, valid for parabolic flows only. For example, for segregated methods, boundary condition of normal derivative for pressure zero is valid only in parabolic flows. Additionally, the complete proposal for mass balance correction is right exclusively for parabolic flows. In the streamline-vorticity formulation, the boundary conditions normally used for the streamline function, violates the no-slip condition for viscous flow. Finally, in the fractional-step method, the boundary condition for pseudo-velocity implies a zero normal derivative for pressure in the wall (correct in parabolic flows only) and, when the flows reaches steady state, the procedure does not guarantee mass balance. The proposed procedure is validated in two cases of 2D flow in steady state, backward-facing step and lid-driven cavity. Comparisons are performed with experiments and excellent agreement was obtained in the solutions that were free from numerical instabilities. A study on grid usage is done. It was found that if the discretized equations are written in terms of a local Reynolds number, a strong criterion can be developed to determine, in advance, the grid requirements for any fluid flow calculation. The 2D-DNS on parallel plates is presented to study the basic features present in the simulation of any turbulent flow. Calculations were performed on a short geometry, using a uniform and very fine grid to avoid any numerical instability. Inflow conditions were white noise and high frequency oscillations. Results suggest that, if no numerical instability is present, inflow conditions alone are not enough to sustain permanently the turbulent regime. Finally, the 2D-DNS on a backward-facing step is studied. Expansion ratios of 1.14 and 1.40 are used and calculations are performed in the transitional regime. Inflow conditions were white noise and high frequency oscillations. In general, good agreement is found on most variables when comparing with experimental data.

In recent history, the area of physics-based engineering simulation has seen rapid increases in both computer workstation performance as well as common model complexity, both driven largely in part by advances in memory density and availability of clusters and multi-core processors. While the increase in computation time due to model complexity has been largely offset by the increased performance of modern workstations, the increase in model setup time due to model complexity has continued to rise. As such, the major time requirement for solving an engineering model has transitioned from computation time to problem setup time. This is due to the fact that developing the required mesh for complex geometry can be an extremely complicated and time consuming task. Consequently, new solution techniques which are capable of reducing the required amount of human interaction are desirable. The subject of this thesis is the development of a novel meshless method that promises to eliminate the need for structured meshes, and thus, 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 proposed method is also capable of reducing the computation time and memory footprint compared to similar models solved using more traditional finite element, finite difference, finite volume, or boundary element methods. In particular, this thesis will outline the development of an interactive, meshless, physically accurate modeling environment that provides an extensible framework which can be applied to a multitude of governing equations encountered in computational mechanics and thermofluids. Additionally, through the development of tailored preprocessing routines, efficiency and accuracy of the proposed meshless algorithms can be tested in a more realistic and flexible environment. Examples are provided in the areas of elasticity, heat transfer and computational fluid dynamics.

The utility of computational fluid dynamics (CFD) for solving problems of engineering interest has experienced rapid growth due to the improvements in both memory capacity and processing speed of computers. While the capability now exists for the solution of the Navier-Stokes equations about complex and complete aircraft configurations, the bottleneck within the process is the time consuming task of properly generating a mesh that can accurately solve the governing partial differential equations (PDEs). This thesis explored two numerical techniques that attempt to circumvent the difficulty associated with the meshing process by solving a simplified form of the continuity equation within a meshless framework. The continuity equation reduces to the full potential equation by assuming irrotational flow. It is a nonlinear PDE that can describe flows for a wide spectrum of Mach numbers that do not exhibit discontinuities. It may not be an adequate model for the detailed analysis of a complex flowfield since viscous effects are not captured by this equation, but it is an appealing alternative for the aircraft designer because it can provide a quick and simple to implement estimate of the aerodynamic characteristics during the conceptual design phase. The two meshless methods explored in this thesis are the Dual Reciprocity Method (DRM) and the Generalized Finite Difference Method (GFD). The Dual Reciprocity Method was shown to have the capability to solve for the two-dimensional subcritical compressible flow over a Circular Cylinder and the non-lifting flow for a NACA 0012 airfoil. Unfortunately these solutions were obtained with the requirement of a priori knowledge of the solution to tune a parameter necessary for proper convergence of the algorithm. Due to the shortcomings of applying the Dual Reciprocity Method, the Generalized Finite Difference Method was also investigated. The GFD method solves a PDE in differential form and can be thought of as a meshless form of a standard finite difference scheme. This method proved to be an accurate and general technique for solving the previously mentioned cases along with the lifting flow about a NACA 0012 airfoil. It was also demonstrated that the GFD method could be formulated to discretize the full potential equation with second order accuracy. Both solution methods offer their own set of unique advantages and challenges, but it was determined that the GFD Method possessed the flexibility necessary for a meshless technique to become a viable aerodynamic design tool.

<p> Traditionally, Molecular Dynamics combined with pair potential functions or the Embedded Atom Method (EAM) is applied to simulate the motion of atoms. When a defect is generated in the crystalline lattice, the equilibrium of atoms around it is destroyed. The atoms move to find a new place where the potential energy in the system is minimum, which could result in a change of the local atomic structure. This thesis introduces a new Dynamic Relaxation algorithm, which is based on explicit Finite Element Analysis, and pair or EAM potential function, to find equilibrium positions of the block of atoms containing different structural defects.</p> <p> The internal force and stiffness at the atoms (nodes) are obtained by the first and second derivatives of the potential energy functions. The convergence criterion is based on the Euclidean norm of internal force being close to zero when the potential energy is minimum. The damping ratio affects the solution path so that different damping ratios could lead to different minimum potential energy and equilibrium shapes. The choice of scaled mass of atoms, proper time step, boundary conditions and damping appropriate for the efficient and stable simulation is studied.</p> <p> A small block of atoms is used to obtain the numerical responses from a hybrid algorithm of potential energy functions and Dynamic Relaxation techniques such as repulsion and attraction in pair potential, minimum configuration, damping effects and different boundary conditions.</p> <p> The simulation using modified Dynamic Relaxation techniques is performed to the real material model with dislocation defect. The results after relaxation are in agreement with the prediction and current Molecular Dynamics simulation. Therefore, Dynamic Relaxation could be an alternative tool for atomistic simulation.</p> / Thesis / Master of Applied Science (MASc)

Around the world, the energy over consumption issue has been one of the key socio-economic and political challenges, which has drastically worsened over the last few years. Over the years engineers and environmentalists have proposed several approaches to improve energy efficiency. One is to reduce energy demand by improving consumption habits and a second approach is to introduce the use of a "greener" concept by using biomaterials in a diverse and more efficient manner in engineering construction to create energy efficient environments. This work will investigate the effects of using "green" stabilized earth materials to provide and enhance thermal regulation for indoor environments. This effects can be compared to what skin does to regulate body temperature in humans, animals, and plants. On this effort the thermal behavior of several biomaterials will be analyzed using a computational tool in order to test the mechanical properties of biomaterials and also several geometry configurations to minimize the energy needed for heating and cooling an environment. In this research a localized radial basis function (LRBF) meshless method, developed by the Computational Mechanics Lab (CML) at the University of Central Florida, has been implemented to test several wall geometrical configuration using known biomaterials such as clay. The advantage of using the LRBF meshless method in this particular research is based in the accuracy of the numerical method and also because it decreases computation time regardless of model complexity geometry without the need of mesh generation. This research includes a complete description of the LRBF meshless method, as well as a quantification of cooling methods that have been used by past civilizations and recent construction standards but have not been validated on scientific basis. Results are presented which will demonstrate the effectiveness of using integrated sheets of biomaterials in engineering construction to increase energy efficiency in indoor environments.

Mesh free modeling techniques are a promising alternative to traditional meshed methods for solving computational fluid dynamics problems. These techniques aim to solve for the field variable using solely the values of nodes and therefore do not require the generation of a mesh. This results in a process that can be much more reliably automated and is therefore attractive. Radial basis functions (RBFs) are one type of "meshless" method that has shown considerable growth in the past 50 years. Using these RBFs to directly solve a partial differential equation is known as Kansa's method and has been used to successfully solve many flow problems. The problem with Kansa's method is that there is no formal guarantee that its solution matrix will be non-singular. More recently, an expansion on Kansa's method was proposed that incorporates the boundary and PDE operators into the solution of the field variable. This method, known as Hermitian method, has been shown to be non-singular provided certain nodal criteria are met. This work aims to perform a comparison between Kansa and Hermitian methods to aid in future selection of a method. These two methods were used to solve steady and transient one-dimensional convection-diffusion problems. The methods are compared in terms of accuracy (error) and computational complexity (conditioning number) in order to evaluate overall performance. Results suggest that the Hermitian method does slightly outperform Kansa method at the cost of a more ill-conditioned collocation matrix.

The rapid increase in computational power over the last decade has unlocked the possibility of providing patient-specific healthcare via simulation and data assimilation. In the past 2 decades, computational approaches to simulating cardiovascular flows have advanced significantly due to intense research and adoption of methods in medical device companies. A significant source of friction in porting these tools to the hospital and getting in the hands of surgeons is due to the expertise required to handle the geometry pre-processing and meshing of models. Meshless meth- ods reduce the amount of corner cases which makes it easier to develop robust tools surgeons need. To accurately simulate modifications to a region of vasculature as in surgical planning, the entire system must be modeled. Unfortunately, this is computationally prohibitive even on to- day’s machines. To circumvent this issue, the Radial-Basis Function Finite Difference (RBF-FD) method for solution of the higher-dimensional (2D/3D) region of interest is tightly-coupled to a 0D Lumped-Parameter Model (LPM) for solution of the peripheral circulation. The incompress- ible flow equations are updated by an explicit time-marching scheme based on a pressure-velocity correction algorithm. The inlets and outlets of the domain are tightly coupled with the LPM which contains elements that draw from a fluid-electrical analogy such as resistors, capacitors, and in- ductors that represent the viscous resistance, vessel compliance, and flow inertia, respectively. The localized RBF meshless approach is well-suited for modeling complicated non-Newtonian hemo- dynamics due to ease of spatial discretization, ease of addition of multi-physics interactions such as fluid-structure interaction of the vessel wall, and ease of parallelization for fast computations. This work introduces the tight coupling of meshless methods and LPMs for fast and accurate hemody- namic simulations. The results show the efficacy of the method to be used in building robust tools to inform surgical decisions and further development is motivated.

Numerical methods for solving partial differential equations are commonplace in the engineering community and their popularity can be attributed to the rapid performance improvement of modern workstations and desktop computers. The ubiquity of computer technology has allowed all areas of engineering to have access to detailed thermal, stress, and fluid flow analysis packages capable of performing complex studies of current and future designs. The rapid pace of computer development, however, has begun to outstrip efforts to reduce analysis overhead. As such, most commercially available software packages are now limited by the human effort required to prepare, develop, and initialize the necessary computational models. Primarily due to the mesh-based analysis methods utilized in these software packages, the dependence on model preparation greatly limits the accessibility of these analysis tools. In response, the so-called meshless or mesh-free methods have seen considerable interest as they promise to greatly reduce the necessary human interaction during model setup. However, despite the success of these methods in areas demanding high degrees of model adaptability (such as crack growth, multi-phase flow, and solid friction), meshless methods have yet to gain notoriety as a viable alternative to more traditional solution approaches in general solution domains. Although this may be due (at least in part) to the relative youth of the techniques, another potential cause is the lack of focus on developing robust methodologies. The failure to approach development from a practical perspective has prevented researchers from obtaining commercially relevant meshless methodologies which reach the full potential of the approach. The primary goal of this research is to present a novel meshless approach called MIMS (Model Integrated Meshless Solver) which establishes the method as a generalized solution technique capable of competing with more traditional PDE methodologies (such as the finite element and finite volume methods). This was accomplished by developing a robust meshless technique as well as a comprehensive model generation procedure. By closely integrating the model generation process into the overall solution methodology, the presented techniques are able to fully exploit the strengths of the meshless approach to achieve levels of automation, stability, and accuracy currently unseen in the area of engineering analysis. Specifically, MIMS implements a blended meshless solution approach which utilizes a variety of shape functions to obtain a stable and accurate iteration process. This solution approach is then integrated with a newly developed, highly adaptive model generation process which employs a quaternary triangular surface discretization for the boundary, a binary-subdivision discretization for the interior, and a unique shadow layer discretization for near-boundary regions. Together, these discretization techniques are able to achieve directionally independent, automatic refinement of the underlying model, allowing the method to generate accurate solutions without need for intermediate human involvement. In addition, by coupling the model generation with the solution process, the presented method is able to address the issue of ill-constructed geometric input (small features, poorly formed faces, etc.) to provide an intuitive, yet powerful approach to solving modern engineering analysis 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.

Cette thèse présente un cadre général pour l’étude de schémas de discrétisation nodaux sans maillageformulé en termes d’opérateurs discrets définis sur un nuage de points : intégration volumique et de bord, gradientet opérateur de reconstruction. Ces définitions dotent le nuage de points d’une structure plus faible que celledéfinie par un maillage, mais partageant avec elle certain concepts fondamentaux. Le plus important d’entre euxest la condition de compatibilité intégro-différentielle. Avec la consistance linéaire du gradient discret, cet analoguediscret de la formule de Stokes constitue une condition nécessaire à la consistance linéaire des opérateurs elliptiquesen formulation faible. Sa vérification, au moins de manière approchée, permet d’écrire des discrétisations dont le tauxde convergence est optimal. La construction d’opérateurs discrets compatibles est si difficile que nous conjecturons– sans parvenir à le démontrer – qu’elle nécessite soit la résolution d’un système linéaire global, soit la constructiond’un maillage : c’est "la malédiction sans-maillage". Trois grandes approches pour la construction d’opérateursdiscrets compatibles sont étudiées. Premièrement, nous proposons une méthode de correction permettant de calculerl’opérateur gradient compatible le plus proche – au sens des moindres carrés – sans mettre à mal la consistancelinéaire. Dans le cas particulier des gradients DMLS, nous montrons que le gradient corrigé est en réalité globalementoptimal. Deuxièmement, nous adaptons l’approche SFEM au cadre opérateur et constatons qu’elle définit desopérateurs consistants à l’ordre un et compatibles. Nous proposons une méthode d’intégration discrète exploitantla relation topologique entre les cellules et les faces d’un maillage qui préserve ces caractéristiques. Troisièmement,nous montrons qu’il est possible de générer tous les opérateurs sans maillage rien qu’avec la donnée d’une formuled’intégration volumique nodale en exploitant la dépendance fonctionnelle des poids volumiques nodaux par rapportà la position des noeuds du nuage, l’espace continu sous-jacent et le nombre de noeuds. Les notions de consistance desdifférents opérateurs sont caractérisées en termes des poids volumiques initiaux, formant un jeu de recommandationpour la mise au point de bonnes formules d’intégration. Dans ce cadre, nous réinterprétons les méthodes classiquesde stabilisation de la communauté SPH comme cherchant à annuler l’erreur sur la formule de Stokes discrète.L’exemple des opérateurs SFEM trouve un équivalent en formulation volume, ainsi que la méthode d’intégrationdiscrète s’appuyant sur un maillage. Son écriture nécessite toutefois une description très précise de la géométriedes cellules du maillage, en particulier dans le cas où les faces ne sont pas planes. Nous menons donc à bienune caractérisation complète de la forme de telles cellules uniquement en fonction de la position des noeuds dumaillage et des relations topologiques entre les cellules, permettant une définition sans ambigüité de leur volume etcentre de gravité. Enfin, nous décrivons des schémas de discrétisation d’équations elliptiques utilisant les opérateurssans-maillage et proposons plusieurs possibilités pour traiter les conditions au bord tout en imposant le moinsde contraintes sur la position des noeuds du nuage de points. Nous donnons des résultats numériques confirmantl’importance capitale de vérifier les conditions de compatibilité, au moins de manière approchée. Cette simple recommandation permet dans tous les cas d’obtenir des discrétisations dont le taux de convergence est optimal. / This thesis introduces a general framework for the study of nodal meshless discretization schemes. Itsfundamental objects are the discrete operators defined on a point cloud : volume and boundary integration, discretegradient and reconstruction operator. These definitions endow the point cloud with a weaker structure than thatdefined by a mesh, but share several fundamental concepts with it, the most important of them being integrationdifferentiationcompatibility. Along with linear consistency of the discrete gradient, this discrete analogue of Stokes’sformula is a necessary condition to the linear consistency of weakly discretized elliptic operators. Its satisfaction, atleast in an approximate fashion, yields optimally convergent discretizations. However, building compatible discreteoperators is so difficult that we conjecture – without managing to prove it – that it either requires to solve a globallinear system, or to build a mesh. We dub this conjecture the "meshless curse". Three main approaches for theconstruction of discrete meshless operators are studied. Firstly, we propose a correction method seeking the closestcompatible gradient – in the least squares sense – that does not hurt linear consistency. In the special case ofMLS gradients, we show that the corrected gradient is globally optimal. Secondly, we adapt the SFEM approachto our meshless framework and notice that it defines first order consistent compatible operators. We propose adiscrete integration method exploiting the topological relation between cells and faces of a mesh preserving thesecharacteristics. Thirdly, we show that it is possible to generate each of the meshless operators from a nodal discretevolume integration formula. This is made possible with the exploitation of the functional dependency of nodal volumeweights with respect to node positions, the continuous underlying space and the total number of nodes. Consistencyof the operators is characterized in terms of the initial volume weights, effectively constituting guidelines for thedesign of proper integration formulae. In this framework, we re-interpret the classical stabilization methods of theSPH community as actually seeking to cancel the error on the discrete version of Stokes’s formula. The example ofSFEM operators has a volume-based equivalent, and so does its discrete mesh-based integration. Actually computingit requires a very precise description of the geometry of cells of the mesh, in particular in the case where its facesare not planar. We thus fully characterize the shape of such cells, only as a function of nodes of the mesh andtopological relations between cells, allowing unambiguous definition of their volumes and centroids. Finally, wedescribe meshless discretization schemes of elliptic partial differential equations. We propose several alternatives forthe treatment of boundary conditions with the concern of imposing as few constraints on nodes of the point cloudas possible. We give numerical results confirming the crucial importance of verifying the compatibility conditions,at least in an approximate fashion. This simple guideline systematically allows the recovery of optimal convergencerates of the studied discretizations.