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No contexto do método dos elementos de contorno, este trabalho apresenta comparativamente três formulações em distintos aspectos. Visando a análise de sólidos bidimensionais no campo da mecânica da fratura, primeiramente é estudada a equação singular ou em deslocamentos. Em seguida, a formulação hiper-singular ou em forças de superfície é avaliada. Por último, a formulação dual, que emprega ambas equações é analisada. Para esta análise, elementos contínuos e descontínuos são empregados, equações numéricas e analíticas com ponto fonte dentro e fora do contorno são testadas, usando aproximação linear. A formulação é inicialmente empregada a problemas da mecânica da fratura elástica linear e em seguida extendida a problemas não-lineares, especialmente o modelo coesivo. Exemplos numéricos diversos averiguam as formulações, comparando com resultados analíticos ou disponíveis na literatura. / In this work three boundary elment formulations applied to fracture mechanics are studied. Aiming the analysis of two-dimensional solids with emphasis on the crack problem, the first considered method is the one based on using displacement equations only (singular formulation). The second scheme discussed in this work is a formulation based on the use of traction equations (hyper-singular formulation). Finally the dual boundary element method that uses singular and hyper-singular equations is considered. The numerical schemes have been implemented using continuous and discontinuous linear boundary and crack elements. The boundary and crack integral were all carried out by using analytical expressions, therefore increasing the accuracy of the algebraic system obtained for each one of the studied schemes. The developed numerical programs were applied initially to elastic fracture mechanics and then extended to analyze cohesive cracks. Several numerical examples were solved to verify the accuracy of each one of the studied models, comparing the results with the analytical solutions avaliable in the literature.

No contexto do método dos elementos de contorno, este trabalho apresenta comparativamente três formulações em distintos aspectos. Visando a análise de sólidos bidimensionais no campo da mecânica da fratura, primeiramente é estudada a equação singular ou em deslocamentos. Em seguida, a formulação hiper-singular ou em forças de superfície é avaliada. Por último, a formulação dual, que emprega ambas equações é analisada. Para esta análise, elementos contínuos e descontínuos são empregados, equações numéricas e analíticas com ponto fonte dentro e fora do contorno são testadas, usando aproximação linear. A formulação é inicialmente empregada a problemas da mecânica da fratura elástica linear e em seguida extendida a problemas não-lineares, especialmente o modelo coesivo. Exemplos numéricos diversos averiguam as formulações, comparando com resultados analíticos ou disponíveis na literatura. / In this work three boundary elment formulations applied to fracture mechanics are studied. Aiming the analysis of two-dimensional solids with emphasis on the crack problem, the first considered method is the one based on using displacement equations only (singular formulation). The second scheme discussed in this work is a formulation based on the use of traction equations (hyper-singular formulation). Finally the dual boundary element method that uses singular and hyper-singular equations is considered. The numerical schemes have been implemented using continuous and discontinuous linear boundary and crack elements. The boundary and crack integral were all carried out by using analytical expressions, therefore increasing the accuracy of the algebraic system obtained for each one of the studied schemes. The developed numerical programs were applied initially to elastic fracture mechanics and then extended to analyze cohesive cracks. Several numerical examples were solved to verify the accuracy of each one of the studied models, comparing the results with the analytical solutions avaliable in the literature.

Orientador: Leandro Palermo Junior / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Civil, Arquitetura e Urbanismo / Made available in DSpace on 2018-08-11T02:34:56Z (GMT). No. of bitstreams: 1 Figueiredo_LuizGustavode_M.pdf: 920848 bytes, checksum: 436f0a3bed33057f927837f04e2e8804 (MD5) Previous issue date: 2008 / Resumo: A avaliação da influêcia de um modelo coesivo de fratura no comportamento estrutural e a simulação de propagação de fraturas pré-existentes, com a Mecâica da Fratura Elástica Linear (MFEL), em problemas bidimensionais, usando o Método dos Elementos de Contorno Dual (DBEM), é o principal objetivo deste estudo. Problemas elásticos lineares em meio contínuo podem ser resolvidos com a equação integral de contorno de deslocamentos. O Método dos Elementos de Contorno Dual pode ser utilizado para resolver os problemas de fratura, onde a equação integral de contorno de forças de superfície é implementada em conjunto com a equação integral de contorno de deslocamentos. Elementos contínuos, descontínuos e mistos podem ser usados no contorno. Diferentes estrat?ias de posicionamento dos pontos de colocação são discutidas neste trabalho, onde os fatores de intensidade de tensão são avaliados com ténica de extrapolação de deslocamentos em fraturas existentes dos tipos: borda, inclinada e em forma de 'v¿. Um modelo coesivo é utilizado para avaliação de comportamento estrutural de um corpo de prova com fratura de borda segundo diferentes estratégias desenvolvidas: uma análise coesiva geral e uma análise coesiva iterativa, as quais são comparadas com o comportamento não coesivo. A força normal coesiva relaciona-se com o valor da abertura de fratura na direção normal na lei constitutiva na Zona de Processos Coesivos (ZPC). A simulação de propagação de uma fratura de borda existente e sua implementa?o num?ica no DBEM, sob deslocamento imposto, é realizada utilizando o critério da mínima tensão circunferencial. Palavras-chave: Método dos Elementos de Contorno; Métodos dos Elementos de Contorno Dual; Mecânica da Fratura Elástica Linear; Modelos Coesivos; Propagação de Fraturas / Abstract: An evaluation of the effect of the cohesive fracture model on the structural behavior and the crack propagation in pre-existing cracks with the Linear Elastic Fracture Mechanics (LEFM), for two dimensional problems, using the Dual Boundary Element Method (DBEM), is the main purpose of the present study. Linear elastic problems in continuum media can be solved with the boundary integral equation for displacements. The Dual Boundary Element Method can be used to solve fracture problems, where the traction boundary integral equation is employed beyond the displacement boundary integral equation. Conformal and non-conformal interpolations can be employed on the boundary. Different strategies for positioning the collocation points are discussed in this work, where the stress intensity factors are evaluated with the displacement extrapolation method to an existing single edge crack, central slant crack and central kinked crack. A cohesive model is used to evaluate the structural behavior of the specimen with a single edge crack under different strategies: a general cohesive analysis and an iterative cohesive analysis; which are compared with the non-cohesive behavior. The normal cohesive force is dependent of the crack opening value in the normal direction in the constitutive law of the Cohesive Process Zone (CPZ). A crack propagation of an existing single edge crack and its numerical implementation in DBEM, under constrained displacement, is analyzed using the maximum hoop stress criterion. Key Words: Boundary Element Method; Dual Boundary Element Method; Linear Elastic Fracture Mechanic; Cohesive Models; Propagation of Cracks / Mestrado / Estruturas / Mestre em Engenharia Civil

In this study, we consider electrostatics contributed from the molecules in the ionic solution. It plays a significant role in determining the binding affinity of molecules and drugs. We develop the overall framework of computing electrostatic properties for three-dimensional molecular structures, including potential, energy, and forces. These properties are derived from Poisson-Boltzmann equation, a partial differential equation that describes the electrostatic behavior of molecules in ionic solutions. In order to compute these properties, we derived new boundary integral equations and designed a boundary element algorithm based on the linear time fast multipole method for solving the linearized Poisson-Boltzmann equation. Meanwhile, a higher-order parametric formulation called algebraic spline model is used for accurate approximation of the unknown solution of the linearized Poisson-Boltzmann equation. Based on algebraic spline model, we represent the normal derivative of electrostatic potential by surrounding electrostatic potential. This representation guarantees the consistent relation between electrostatic potential and its normal derivative. In addition, accurate numerical solution and fast computation for electrostatic energy and forces are also discussed. In addition, we described our hierarchical modeling and parameter optimization of molecular structures. Based on this technique, we can control the scalability of molecular models for electrostatic computation. The numerical test and experimental results show that the proposed techniques offer an efficient and accurate solution for solving the electrostatic problem of molecules. / text

The boundary element method (BEM) has become a powerful method for the numerical solution of boundary-value problems (BVPs), due to its ability (at least for problems with constant coefficients) of reducing a BVP for a linear partial differential equation (PDE) defined in a domain to an integral equation defined on the boundary, leading to a simplified discretisation process with boundary elements only. On the other hand, the coefficients in the mathematical model of a physical problem typically correspond to the material parameters of the problem. In many physical problems, the governing equation is likely to involve variable coefficients. The application of the BEM to these equations is hampered by the difficulty of finding a fundamental solution. The first part of this thesis will focus on the derivation of the boundary integral equation (BIE) for the Laplace equation, and numerical results are presented for some examples using constant elements. Then, the formulations of the boundary-domain integral or integro-differential equation (BDIE or BDIDE) for heat conduction problems with variable coefficients are presented using a parametrix (Levi function), which is usually available. The second part of this thesis deals with the extension of the BDIE and BDIDE formulations to the treatment of the two-dimensional Helmholtz equation with variable coefficients. Four possible cases are investigated, first of all when both material parameters and wave number are constant, in which case the zero-order Bessel function of the second kind is used as fundamental solution. Moreover, when the material parameters are variable (with constant or variable wave number), a parametrix is adopted to reduce the Helmholtz equation to a BDIE or a BDIDE. Finally, when material parameters are constant (with variable wave number), the standard fundamental solution for the Laplace equation is used in the formulation. In the third part, the radial integration method (RIM) is introduced and discussed in detail. Modifications are introduced to the RIM, particularly the fact that the radial integral is calculated by using a pure boundary-only integral which relaxes the “star-shaped” requirement of the RIM. Then, the RIM is used to convert the domain integrals appearing in both BDIE and BDIDE for heat conduction and Helmholtz equations to equivalent boundary integrals. For domain integrals consisting of known functions the transformation is straightforward, while for domain integrals that include unknown variables the transformation is accomplished with the use of augmented radial basis functions (RBFs). The most attractive feature of the method is that the transformations are very simple and have similar forms for both 2D and 3D problems. Finally, the application of the RIM is discussed for the diffusion equation, in which the parabolic PDE is initially reformulated as a BDIE or a BDIDE and the RIM is used to convert the resulting domain integrals to equivalent boundary integrals. Three cases have been investigated, for homogenous, non-homogeneous and variable coefficient diffusion problems.

Kinetic energy extraction devices for ocean and river flows are often located in the vicinity of the fluid free surface. This differs from wind turbines where the atmosphere may be considered to extend to infinity for the purposes of numerical modelling. As most kinetic energy extraction devices are based on lifting surfaces, a numerical model is sought which can model both lifting and free surface flows. One such model is the boundary element method which has been successfully applied to free surface problems and to lifting flows as well as the combined problem. This study seeks to develop a high order boundary element method that is capable of modelling unsteady lifting and free surface flows in three dimensions. Although high order formulations of boundary element methods are common for free surface problems, providing improved accuracy and computational time, their usage for lifting flows is less frequent. This may be due to the hypersingular boundary integral equation (HBIE) which must be solved in order to find the velocity of the vortex wakes behind lifting surfaces. In previous lifting flow studies using high order boundary element methods the wake velocities have been determined at the element centres and then interpolated to the collocation points. Not until the paper of Gray et al. (2004b) has a method been available for the direct solution of the HBIEs at the edges of three dimensional high order elements with C0 continuous interfaces. The solution employs a technique known as the Galerkin boundary element method. This study shows, for the first time, that the Galerkin boundary element method is applicable to the solution of the HBIE on the vortex wake of a lifting body. The application of the technique is then demonstrated as part of the numerical model developed herein. The model is based on the high order boundary element method developed by Xu (1992) for non-linear free surface flows. This formulation is extended to include steady uniform flow throughout the computational domain as well as the presence of lifting and non-lifting bodies. Several verification cases are implemented to test the accuracy of the model.

Motility of flagellated bacteria has been a topic of increasing scientific interest over the past decades, attracting the attention of mathematicians, physicists, biologists and engineers alike. Bacteria and other micro-organisms cause substantial damage through biofilm growth on submerged interfaces in water cooling systems, ship hulls and medical implants. This gives social and economic motivations for learning about how micro-organisms swim and behave in different environments. Fluid flows on such small scales are dominated by viscosity and therefore behave differently from the inertia-dominated flows that we are more familiar with, making bacterial motility a physically intriguing phenomenon to study as well. We use the boundary element method (BEM) to simulate the motion of singly flagellated bacteria in a viscous, Newtonian fluid. One of our main objectives is to investigate the influence of external surfaces on swimming behaviour. We show that the precise shape of the cell body and flagellum can be important for determining boundary behaviour, in particular, whether bacteria are attracted or repelled from surfaces. Furthermore, we investigate the types of motion that may arise between two parallel plates and in rectangular channels of fluid and show how these relate to the plane boundary interactions. As an extension to original models of flagellar propulsion in bacteria that assume a rotation of the rigid helical flagellum about an axis fixed relative to the cell body, we consider flexibility of the bacterial hook connecting the aforementioned parts of the swimmer. This is motivated by evidence that the hook is much more flexible than the rest of the flagellum, which we therefore treat as a rigid structure. Elastic dynamics of the hook are modelled using the equations for a Kirchhoff rod. In some regimes, the dynamics are well described by a rigid hook model but we find the possibility of additional modes of behaviour.

Este trabalho trata da análise de problemas planos de chapa compostos por materiais anisotrópicos, definidas em uma região ou no domínio por completo, utilizando-se o método dos elementos de contorno. As soluções fundamentais para problemas anisotrópicos, embora existentes, mostram-se difíceis de serem utilizadas devido à complexidade de sua formulação matemática ou da necessidade de se encontrar partes da solução numericamente. Nesse sentido, a formulação alternativa mostrada nesse trabalho permite o estudo de meios anisotrópicos utilizando-se as soluções fundamentais para meios isotrópicos nas representações integrais de problemas planos com campo de tensões iniciais. A região do domínio com propriedades anisotrópicas ou diferentes das propriedades elásticas de um meio isotrópico usado como referência é discretizada em células triangulares, enquanto que o contorno do problema é discretizado em elementos lineares. As componentes do tensor de tensões iniciais da região anisotrópica são definidas como uma correção das tensões elásticas do material isotrópico de referência através de uma matriz de penalização. Essa matriz, por sua vez, é obtida através de relações envolvendo as constantes elásticas de rigidez do meio desejado e os coeficientes elásticos de flexibilidade do meio isotrópico de referência. Essa técnica é particularmente adequada para a análise de inclusões anisotrópicas onde há a necessidade de discretizar apenas uma parte pequena do domínio, aumentando, portanto, pouco o número de graus de liberdade do sistema. Os resultados obtidos com a formulação proposta são comparados com os resultados numéricos existentes na literatura. / This work deals with elastic 2D problems characterized by the presence of zones with different materials and anisotropic inclusions using the boundary element method. The anisotropy can be assumed either over the whole domain or defined only over some particular inclusions, which is the most usual case. Fundamental solutions for anisotropic domains, although well-known, lead to more complex formulations and may introduce difficulties when the analysis requires more complex material models as for instance plastic behavior, finite deformations, etc. The alternative formulation proposed in this work can be applied to anisotropic bodies using the classical fundamental solutions for 2D elastic isotropic domains plus correction given by an initial stress field. The domain region with anisotropic properties or only with different isotropic elastic parameters has to be discretized into cells to allow the required corrections, while the complementary part of the body requires only boundary discretization. The initial stress tensor to be applied to the anisiotropic region is defined as the isotropic material elastic stress tensor correction by introducing a local penalty matrix. This matrix is obtained by the difference between the elastic parameters between the reference values and the anisotropic material. This technique is particularly appropriate for anisotropic inclusion analysis, in which the domain discretization is required only over a small region, therefore increasing very little the number of degrees of freedom of the final algebraic system. The numerical results obtained by using the proposed formulation have demonstrated to be very accurate in comparison with either analytical solutions or the other numerical values.

Neste trabalho, foi desenvolvida uma formulação do método dos elementos de contorno (MEC) isoparamétrico com aproximação de ordem qualquer para análise de domínios bidimensionais enrijecidos, particularmente túneis. Tal formulação simula os enrijecedores a partir de correções da rigidez local, que são introduzidas utilizando-se um termo adicional escrito em tensões iniciais sobre a área estreita do enrijecedor. Além das equações integrais usuais para pontos do contorno foram também necessárias as equações integrais da força normal e do momento fletor escritas para pontos do eixo do enrijecedor. Através do polinômio de Lagrange foi feita a generalização da ordem das funções polinomiais responsáveis pela aproximação tanto das variáveis quanto da representação geométrica do problema. A partir daí, a formulação apresentada simulou com êxito a inclusão de enrijecedores em tais meios, como por exemplo, na análise de estacas, ou de enrijecedores na escavação de túneis. Foi desenvolvida também neste trabalho uma formulação para considerar o atraso na instalação do suporte de túneis. Com o desenvolvimento do elemento de contorno curvo de ordem qualquer, pôde-se obter resultados ainda melhores com discretizações reduzidas. / In this work, an isoparametric boundary element method (BEM) formulation with approximation of any order was developed to the analysis of stiffened two-based on local stiffness corrections, which are made using an additional integral written in terms of initial stresses, applied over the areas close to stiffeners. Besides the usual displacement integral equations the presented formulation also requires integral equations of the normal forces and the bending moments written for points defined along the stiffener axis. By using Lagrange polynomials, the generalization of the shape function order used to approximate the boundary values and the geometry was made. Excavations in infinite media or large domains are engineering applications in which the BEM is efficient due to its accuracy, reliable results and also to require coarser discretizations, always leading to smaller algebraic systems when compared to other methods. Thereafter, the presented formulation can simulate successfully the inclusion of stiffeners into two-dimensional domains, such as the analysis of piles embedded in a 2-D solids or lined tunnels. It was also developed a formulation to consider the delay to install tunnel linings.