Neste trabalho os problemas de determinação dos Fatores de Intensidade de Tensão KI e KII estáticos e dinâmicos são tratados numericamente utilizando uma formulação alternativa do Método dos Elementos de Contorno (MEC) com solução fundamental de Kelvin e matriz de massa para os problemas dinâmicos. A trinca é suposta retangular inicialmente, com suas faces não-coincidentes. Tanto as faces da trinca, quanto o contorno externo são discretizados em elementos de contorno reto com variação de forças de deslocamentos quadráticas, não havendo, portanto distinção entre elementos de trinca e de contorno externo. Integrais analíticas também são obtidas para o elemento linear isoparamétrico. As células de domínio apresentam formato triangular e suas integrais são solucionadas semi-analiticamente. Quanto às integrais de contorno, essas são obtidas analiticamente segundo eixos de referência locais, procedendo-se em seguida a rotação pra eixos globais. O algoritmo de Houbolt é empregado como integrador temporal. Exemplos numéricos da determinação desses Fatores de Intensidade de Tensão são mostrados e comparados com resultados analíticos e resultados numéricos disponíveis na literatura. / In this work the stress intensity factors KI and KII for static and dynamic two-dimensional problem are obtained numerically by an alternative mass matrix boundary element formulation. The crack is considered a rectangular hole inside the domain and its faces are not coincident. Both crack faces and boundary are discretized by straight boundary elements with quadratic approximation. Domain cells are triangular with linear approximation and their integrals are developed semi-analytically. Boundary integrals are analytically performed, for linear and quadratic approximations. They are performed at local co-ordinate axes and transformed to global co-ordinate axes. The Houbolt algorithm is used to integrate the matrix time differential equation along time. Numerical examples are shown in order to compare the results obtained by the proposed formulation and the ones presents in literature.

Made available in DSpace on 2016-12-23T14:08:13Z (GMT). No. of bitstreams: 1 Dissertacao de Felipe Patricio das Neves.pdf: 512132 bytes, checksum: d42e56e29214989211674c822342bbea (MD5) Previous issue date: 2009-12-04 / In this work is implemented a numerical model to simulate computationally the distribution of pressures, velocities, temperatures and heat flows in two-dimensional stationary control volumes. The relation between temperatures and velocities is established by the advective-diffusive Equation, using the Dual Reciprocity Boundary Element Method formulation... / Neste trabalho é desenvolvido um modelo numérico para simular computacionalmente a distribuição de pressões, velocidades, temperaturas e fluxos de calor estacionários em volumes de controle bidimensionais. A relação do campo de temperaturas e velocidades é governada pela equação da Difusão-Advecção, resolvida através da formulação com Dupla Reciprocidade do Método dos Elementos de Contorno. Admite-se a lei de Darcy para associar pressão e velocidade, resultando num modelo matemático dado pela Equação de Laplace, no caso linear. Na análise não-linear insere-se a dependência entre do campo de velocidades e as temperaturas, resultando num campo matematicamente representado pela Equação de Poisson. Os resultados da solução desse problema são então implementados no modelo difusivo-advectivo, gerando temperaturas e fluxos de calor

La mise en œuvre de la méthode des éléments finis de frontière nécessite l'évaluation d'intégrales comportant un intégrand singulier. Un calcul fiable et précis de ces intégrales peut dans certains cas se révéler à la fois crucial et difficile. La méthode que nous proposons consiste en une réduction récursive de la dimension du domaine d'intégration et aboutit à une représentation de l'intégrale sous la forme d'une combinaison linéaire d'intégrales mono-dimensionnelles dont l'intégrand est régulier et qui peuvent s'évaluer numériquement mais aussi explicitement. L'équation de Helmholtz 3-D sert d'équation modèle mais ces résultats peuvent être utilisés pour les équations de Laplace et de Maxwell 3-D. L'intégrand est décomposé en une partie homogène et une partie régulière ; cette dernière peut être traitée par les méthodes usuelles d'intégration numérique. Pour la discrétisation du domaine, des triangles plans sont utilisés ; par conséquent, nous évaluons des intégrales sur le produit de deux triangles. La technique que nous avons développée nécessite de distinguer entre diverses configurations géométriques ; c'est pourquoi nous traitons séparément le cas de triangles coplanaires, dans des plans sécants ou parallèles. Divers prolongements significatifs de la méthode sont présentés : son extension à l'électromagnétisme, l'évaluation de l'intégrale du noyau de Green complet pour les coefficients d'auto-influence, et le calcul de la partie finie d'intégrales hypersingulières. / The implementation of the boundary element method requires the evaluation of integrals with a singular integrand. A reliable and accurate calculation of these integrals can in some cases be crucial and difficult. The proposed method is a recursive reduction of the dimension of the integration domain and leads to a representation of the integral as a linear combination of one-dimensional integrals whose integrand is regular and that can be evaluated numerically and even explicitly. The 3-D Helmholtz equation is used as a model equation, but these results can be used for the Laplace and the Maxwell equations in 3-D. The integrand is decomposed into a homogeneous part and a regular part, the latter can be treated by conventional numerical integration methods. For the discretization of the domain we use planar triangles, so we evaluate integrals over the product of two triangles. The technique we have developped requires to distinguish between several geometric configurations, that's why we treat separately the case of triangles in the same plane, in secant planes and in parallel planes.

Submitted by Erika Demachki (erikademachki@gmail.com) on 2014-09-24T20:35:00Z No. of bitstreams: 2 Santos, Claudia Gomes de Oliveira - Dissertação - 2013.pdf: 1950939 bytes, checksum: 050c57553672656134c6b1264cb562a6 (MD5) license_rdf: 23148 bytes, checksum: 9da0b6dfac957114c6a7714714b86306 (MD5) / Approved for entry into archive by Jaqueline Silva (jtas29@gmail.com) on 2014-09-24T20:42:50Z (GMT) No. of bitstreams: 2 Santos, Claudia Gomes de Oliveira - Dissertação - 2013.pdf: 1950939 bytes, checksum: 050c57553672656134c6b1264cb562a6 (MD5) license_rdf: 23148 bytes, checksum: 9da0b6dfac957114c6a7714714b86306 (MD5) / Made available in DSpace on 2014-09-24T20:42:50Z (GMT). No. of bitstreams: 2 Santos, Claudia Gomes de Oliveira - Dissertação - 2013.pdf: 1950939 bytes, checksum: 050c57553672656134c6b1264cb562a6 (MD5) license_rdf: 23148 bytes, checksum: 9da0b6dfac957114c6a7714714b86306 (MD5) Previous issue date: 2013-07-31 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / The Boundary Element Method (BEM) has been successfully employed in the analysis of various engineering problems. The BEM consists in a mathematical modeling, for a numerical solution of a system of integral equations, and in their cores may appear singularities. This paper presents the Classical and Hypersingular formulation of the Boundary Element Method for dimensional elastostatic problems with smooth boundary geometry. The improper integrals arising from the singularities of the core in the hypersingular formulation are treated by Hadamard finite parts. In the discretization process two types of interpolation are used, one traditional and the other special. Traditional interpolation is used in all bondary elements that have no point , special interpolation ensures the continuity of the tangential derivative of displacements on the element that contains the point . To accomplish this, a theoretical mathematics study of related topics was performed. The hypersingular formulation developed in this work was implemented through the Intel Visual Fortran compiler. Some problems were analyzed and the obtained results were compared with those of analytical solution or through the Finite Element Method. The results achieved were satisfactory validating the proposed formulation / O Método dos Elementos de Contorno (MEC) vem sendo empregado com sucesso na análise de diversos problemas de engenharia. O MEC consisti em uma modelagem matemática, para resolução numérica de um sistema de equações integrais, e que em seus núcleos podem aparecer singularidades. Nesse trabalho apresenta a formulação Clássica e Hipersingular do Método dos Elementos de Contorno para problemas de elastostática bidimensional com geometria de contornos não suaves. As integrais impróprias que surgem da singularidade do núcleo na formulação hipersingular são tratados por partes finitas de Hadamard. No processo de discretização utiliza-se de dois tipos de interpolação, uma tradicional e outra especial. A interpolação tradicional é utilizada em todos os elementos de contorno que não tem o ponto , a interpolação especial garante a continuidade da derivada tangencial dos deslocamentos no elemento que contém o ponto . Para a realização deste, foi realizado um estudo teórico-matemático dos tópicos afins. Implementou-se a formulação hipersingular desenvolvidas no trabalho através do compilador Intel Visual FORTRAN. Foram analisados alguns problemas e os resultados obtidos comparados àqueles de solução analítica ou através do Método dos Elementos Finitos. Os resultados alcançados mostraram-se satisfatórios validando a formulação proposta.

This work is devoted to the numerical analysis of saturated porous media, taking into account the damage phenomenon on the solid skeleton. The porous media is taken into poroelastic framework, in full-saturated condition, based on the Biot\'s Theory. A scalar damage model is assumed for this analysis. An implicit Boundary Element Method (BEM) formulation, based on time-independent fundamental solutions, is developed and implemented to couple the fluid flow and the elasto-damage problems. The integration over boundary elements is evaluated by using a numerical Gauss procedure. A semi-analytical scheme for the case of triangular domain cells is followed to carry out the relevant domain integrals. The non-linear system is solved by a Newton-Raphson procedure. Numerical examples are presented, in order to validate the implemented formulation and to illustrate its efficiency. / Este trabalho trata da análise numérica de meios porosos saturados, considerando danificação na matriz sólida. O meio poroso é admitido em regime poroelástico, em condição saturada, com base na teoria de Biot. Um modelo de dano escalar é empregado nesta análise. Uma formulação implícita do Método dos Elementos de Contorno (MEC), baseada em soluções fundamentais independentes do tempo, é desenvolvida e implementada de forma a acoplar os problemas de difusão de fluido e de elasto-dano. A integração sobre os elementos de contorno é feita através da quadratura de Gauss. Um esquema semi-analítico é aplicado sobre células triangulares para avaliar as integrais de domínio do problema. A solução do sistema não linear é obtida através de um procedimento do tipo Newton-Raphson. Apresentam-se exemplos numéricos a fim de validar a formulação implementada e demonstrar sua eficiência.

O trabalho tem como objetivo trazer contribuições à simulação numérica pelo método dos elementos de contorno (MEC) de formação e propagação de descontinuidades no campo de deslocamentos (descontinuidades fortes) em sólidos bidimensionais. A formação de descontinuidades fortes caracteriza o processo de falha material, que pode estar associado ao fraturamento em materiais quase frágeis ou a superfícies de deslizamentos de materiais dúcteis. Apresenta-se uma formulação do MEC baseada na incorporação de interfaces de descontinuidade no interior de células internas, que possibilita propagação arbitrária de descontinuidades usando uma malha de células internas fixa, definida antes da análise. Comparam-se diferentes alternativas provenientes do relaxamento dos requisitos de consistência estática e analisa-se a influência do alinhamento da malha. Apresenta-se também um possível esquema de construção adaptativa de células internas com interface incorporada para capturar a trajetória arbitrária da descontinuidade que se propaga durante o processo de carregamento. Este esquema visa aumentar a robustez e reduzir o esforço computacional. As características geométricas das células internas geradas são estabelecidas em função da orientação da descontinuidade fornecida pelo critério de falha, de maneira a proporcionar melhor eficiência numérica. Os estudos são levados a cabo através da simulação numérica de testes experimentais colhidos da literatura. / This work has the objective of bringing contributions to the numeric simulation using the boundary elements method (BEM) to model the initiation and propagation of strong discontinuities in the displacement field in bidimensional solids. The initiation process of strong discontinuities characterizes the failure process of material, which can be associated with the fracture of quasi-brittle materials and slip lines in ductile materials such as metals. The effect of the displacement jump of a discontinuity interface embedded in an internal cell is provided by an equivalent strain field over the cell. This model allows the study of arbitrary crack growth using a fixed mesh defined before the analysis. The dissipative process in the cell interface is described by an isotropic damage model in the continuum approach of strong discontinues. Alternatives that come from relaxing the static consistencies and the influence of the mesh alignment are analyzed. An adaptative algorithm for internal cells creation is also presented to capture the path of the crack growth during the loading process. This algorithm intends to overcome some convergence problems found in models with predefined meshes and also to reduce the computational efforts. The geometric characteristics of the generated internal cells are defined using the crack orientation, given by the failure criterion, to provide a better numerical efficiency. The results obtained with the proposed formulation are compared with the ones obtained with other numerical methods and also from experiments.

Doctor of philosophy (Ph D) / This thesis deals with numerical investigations on some rheological problems of fibre suspensions: the fibre level simulation of non-dilute fibre suspensions in shear flow; the numerical simulation of complex fibre suspension flows and simulating the particle motion in viscoelastic flows. These are challenging problems in rheology. Two numerical approaches were developed for simulating non-dilute fibre suspensions from the fibre level. The first is based on a model that accounts for full hydrodynamic interactions between fibres, which are approximately calculated as a superposition of the long-range and short-range hydrodynamic interactions. The long-range one is approximated by using slender body theory and includes infinite particle interactions. The short-range one is approximated in terms of the normal lubrication forces between close neighbouring fibres. The second is based on a model that accounts only for short-range interactions, which comprise the lubrication forces and normal contact and friction forces. These two methods were applied to simulate the microstructure evolution and rheological properties of non-dilute fibre suspensions. The Brownian configuration method was combined with the highly stable finite element method to simulate the complex flow of fibre suspensions. The method is stable and robust, and can provide both micro and macro information. It does not require any closure approximations in calculating the fibre stress tensor and is more efficient and variance reduction, compared to CONNFFESSITT, for example. The flow of fibre suspensions past a sphere in a tube and the shear induced fibre migration were successfully simulated using this method The completed double layer boundary element method was extended to viscoelastic flow cases. A point-wise solver was developed to solve the constitutive equation point by point and the fixed least square method was employed to interpolate and differentiate data locally. The method avoids volume meshing and only requires the boundary mesh on particle surfaces and data points in the flow domain. A sphere settling in the Oldroyd-B fluid and a prolate spheroid rotating in shear flow of the Oldroyd-B fluid were simulated. Based on the simulated orbit of a prolate spheroid in shear flow, a constitutive model for the weakly viscoelastic fibre suspensions was proposed and its predictions were compared with some available experimental results. All simulated results are in general agreement with experimental and other numerical results reported in literature. This indicates that these numerical methods are useful tools in rheological research.

<p>In this thesis we study hybrid numerical methods to be used in computational electromagnetics. The purpose is to address a wide frequency range relative to a given geometry. We also focus on efficient and robust numerical algorithms for computing the so called Smooth Surface Diffraction predicted by Geometrical Theory of Diffraction (GTD). We restrict the presentation to frequency domain scattering problems.</p><p>The hybrid methods consist in combinations of Boundary Element Methods and asymptotic methods. Three hybrids will be presented. One of them has been developed from a theoretical idea to an industrial code. The two other hybrids will be presented mainly from a theoretical perspective.</p><p>To be able to compute the Smooth Surface Diffracted field we introduce a numerical method that is to be used with surface curvature sensitive meshing, complemented with auxiliary data taken from a geometry database. By using two geometry representations we can show first order convergence and we then achieve an efficient and robust numerical algorithm. This numerical algorithm may be an essential part of an GTD implementation which in its turn is a component in the hybrid methods.</p><p>As a background to our new techiniques we will also give short introductions to the Boundary Element Method and the Geometrical Theory of Diffraction from a theoretical and implementational point of view.</p>

We report a Hessian-implicit optimization method to quickly solve the charge optimization problem over protein molecules: given a ligand and its complex with a receptor, determine the ligand charge distribution that minimizes the electrostatic free energy of binding. The new optimization couples boundary element method (BEM) and primal-dual interior point method (PDIPM); initial results suggest that the method scales much better than the previous methods. The quadratic objective function is the electrostatic free energy of binding where the Hessian matrix serves as an operator that maps the charge to the potential. The unknowns are the charge values at the charge points, and they are limited by equality and inequality constraints that model physical considerations, i.e. conservation of charge. In the previous approaches, finite-difference method is used to model the Hessian matrix, which requires significant computational effort to remove grid-based inaccuracies. In the novel approach, BEM is used instead, with precorrected FFT (pFFT) acceleration to compute the potential induced by the charges. This part will be explained in detail by Shihhsien Kuo in another talk. Even though the Hessian matrix can be calculated an order faster than the previous approaches, still it is quite expensive to find it explicitly. Instead, the KKT condition is solved by a PDIPM, and a Krylov based iterative solver is used to find the Newton direction at each step. Hence, only Hessian times a vector is necessary, which can be evaluated quickly using pFFT. The new method with proper preconditioning solves a 500 variable problem nearly 10 times faster than the techniques that must find a Hessian matrix explicitly. Furthermore, the algorithm scales nicely due to the robustness in number of IPM iterations to the size of the problem. The significant reduction in cost allows the analysis of much larger molecular system than those could be solved in a reasonable time using the previous methods. / Singapore-MIT Alliance (SMA)

In this thesis we study hybrid numerical methods to be used in computational electromagnetics. The purpose is to address a wide frequency range relative to a given geometry. We also focus on efficient and robust numerical algorithms for computing the so called Smooth Surface Diffraction predicted by Geometrical Theory of Diffraction (GTD). We restrict the presentation to frequency domain scattering problems. The hybrid methods consist in combinations of Boundary Element Methods and asymptotic methods. Three hybrids will be presented. One of them has been developed from a theoretical idea to an industrial code. The two other hybrids will be presented mainly from a theoretical perspective. To be able to compute the Smooth Surface Diffracted field we introduce a numerical method that is to be used with surface curvature sensitive meshing, complemented with auxiliary data taken from a geometry database. By using two geometry representations we can show first order convergence and we then achieve an efficient and robust numerical algorithm. This numerical algorithm may be an essential part of an GTD implementation which in its turn is a component in the hybrid methods. As a background to our new techiniques we will also give short introductions to the Boundary Element Method and the Geometrical Theory of Diffraction from a theoretical and implementational point of view.