Orientador: Philippe Remy Bernard Devloo / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Matemática Estatística e Computação Científica / Made available in DSpace on 2018-08-26T08:30:23Z (GMT). No. of bitstreams: 1 Farias_AgnaldoMonteiro_D.pdf: 4236142 bytes, checksum: 173a1f60f06933f3f12600b1c0be3c9b (MD5) Previous issue date: 2014 / Resumo: Os assuntos de interesse nesta tese dizem respeito a formulações não clássicas do método dos elementos finitos (MEF). Neste sentido, o foco principal está no desenvolvimento de ferramentas computacionais para o MEF visando simulações de problemas multifísicos. Este tipo de problema ocorre, frequentemente, nas aplicações de Engenharia modeladas pelo acoplamento de diversos fenômenos físicos, os quais podem ser resolvidos numa única simulação numérica. A esta modelagem dá-se o nome de simulação multifísica. Neste contexto, para se obter uma simulação otimizada, é conveniente dar um tratamento diferenciado para cada fenômeno físico envolvido. No MEF, por exemplo, tal abordagem multifísica pode ser realizada pela escolha de diferentes subespaços de aproximação, em conformidade com os fenômenos considerados. Para efeito de verificação do código desenvolvido, resolvem-se dois problemas no contexto de simulação multifísica. Um problema de acoplamento fluido-estrutura em poroelasticidade linear e um problema de escoamento em meios porosos com injeção de traçador. Utilizam-se subespaços de aproximação H1-conformes para o deslocamento da matriz porosa, Hdiv-conformes para o fluxo de fluido e funções descontínuas para a aproximação da pressão do fluido e da saturação. Outro desenvolvimento diz respeito a formulações combinadas de Galerkin contínuo-descontínuo para problemas de elasticidade linear. Na abordagem proposta, os espaços de elementos finitos são formados por funções contínuas ou descontínuas, em diferentes regiões do domínio. Estuda-se também o esquema de Petrov-Galerkin com funções teste otimizadas via simetrização. Aplica-se uma nova abordagem para este método através de duas aproximações pelo método de Galerkin contínuo. A implementação e avaliação do desempenho de todas as formulações propostas são feitas no ambiente de programação orientada a objetos chamado NeoPZ / Abstract: The issues of interest in this thesis are related to non classical formulations of the finite element method (FEM). In this sense, the main focus is on developing computational tools for the FEM targeting the simulation of multiphysics problems. This type of problem often occurs in engineering applications modeled by coupling several physical phenomena, which can be resolved in a single numerical simulation. This kind of modeling is called multiphysics simulation. In this context, to obtain an optimized simulation, it is convenient to give a different treatment for each physical phenomenon involved. For instance, in the FEM context, such multiphysics approach can be accomplished by choosing different approximation subspaces in accordance with the phenomena considered. For the verification of the developed code, a problem of fluid-structure interaction in linear poroelasticity and a problem of flow in porous media with tracer injection are solved in the context of multiphysics simulation. H1-conforming approximation is used for the displacement of the porous matrix, Hdiv-conforming for the fluid flow and discontinuous functions for the approximation of fluid pressure and saturation. In another development, the discontinuos-continuous Galerkin formulation is considered for problems of linear elasticity. In such formulation, the spaces finite elements are formed by continuous or discontinuous functions in different regions of the domain. Another study refers to the Petrov-Galerkin scheme with test functions optimized by symmetrization. A new approach to the method by means of two approximations by continuous Galerkin method is proposed. The implementation and verification of all considered formulations are made on the object-oriented programming environment called NeoPZ / Doutorado / Matematica Aplicada / Doutor em Matemática Aplicada

In this thesis, we explore a novel approach to solving the Helmholtz equation,the WaveHolz iteration method. This method aims to overcome some ofthe difficulties with solving the Helmholtz equation by providing a highlyparallelizable iterative method based on solving the time-dependent Waveequation. If this method proves reliable and computationally feasible it wouldhave great value for future application. Therefore, it is of interest to evaluatethe performance and properties of this method. To fully evaluate this method,the method was implemented and conclusions were based on results fromsimulations of the method. The method was able to solve problems in threedimensions and it seems that the method is very well suited for parallelized computations. To replicate real-world scenarios simulations of problems ininfinite and curvilinear domains were conducted. Based on the result presentedhere it is possible to further refine the method, especially regarding the setupof the domain and the implementation of boundary conditions for infinitedomains. / I detta examensarbete presenteras en ny metod för att lösa Helmholtz ekvation, WaveHoltz iterativa metod. Målet med denna metod är att undkomma vissa problem som uppstår med andra metoder för att lösa Helmholtz ekvation genom att tillhandahålla iterativ metod som baseras på lösningar av den tidsberoende vågekvationen samt kan parallelliseras effektivt. Om denna metod visar sig vara stabil och effektiv beräkningsmässigt skulle detta medföra stor potential för framtida tillämpningar. Av denna anledning undersöks metoden och dess egenskaper. För att fullt ut kunna evaluera denna method implementerades den vartefter simuleringar genomfördes och slutsatser drogs. Med metoden var att det var möjligt att lösa problem i tre dimensioner och metoden visade sig vara lämplig för parallella beräkningar. För att återskapa verklighetstrogna scenarion beräknades problem i oändliga och kroklinjiga domäner. Baserat på resultaten som presenteras i denna rapport är det möjligt att förfina metoden, speciellt vid konstruktionen av komplicerade beräkningsnät och randvillkoren för de oändliga problemen.

"The present work is a study of the low inertia spreading dynamics of initially spherical viscous droplets on a planar interface. The droplets are affected by gravity, surface tension and viscous forces and are modeled as two-dimensional axisymmetric bodies. The main focus of this study is the examination of the dependence of droplet stability, equilibrium shape and fluid motion within the drop on the relative magnitude of these forces. The dynamics are modeled using the unsteady, non-linear Navier-Stokes equations for an incompressible fluid. The spreading of a droplet on a solid surface is modeled with both a no-slip and a partial-slip boundary condition. In addition, the spreading of a droplet on another identical drop (two-drop problem) is modeled to study the problem without the contact point singularity. The governing equations are solved numerically using the Mixed Galerkin Finite Element formulation, augmented by the use of the Newton-Raphson iteration scheme to effectively treat the non-linearities of the problem. The Generalized Eulerian Lagrangian formulation is adopted for the treatment of the moving free surface of the droplet. Computations are performed for capillary numbers ranging from 0.01 to 100 and for Reynolds numbers from 0.005 to 50, where the velocity scale is based on the droplet radius and the gravitational acceleration. For the droplet spreading on a solid surface, three distinct behaviors are observed~: for low Reynolds numbers and sufficiently high capillary numbers, droplets deform to a stable, equilibrium shape; for higher Reynolds numbers, an oscillatory droplet behavior occurs; at still higher Reynolds numbers, the droplets shatter. Very often, a recirculation is induced near the contact point just before the droplet shatters, which is also observed for the case of stable oscillating droplets. When a partial-slip boundary condition is applied, it is observed that the stability of the droplet and the rate at which the droplet attains the static contact angle depend strongly on the velocity of slip of the droplet with respect to the solid surface at the contact point. For the two-drop problem, only two distinct behaviors are observed: for low Reynolds numbers and high capillary numbers, the droplet retains a near-spherical shape and remains stable; while for higher Reynolds numbers, the droplet deforms to a high extent and becomes unstable."

L’industrie pétrolière s’intéresse désormais à des régions de la terre de plus en plus difficiles d’accès et il est essentiel de proposer des techniques permettant de garantir l’efficaité d’un forage. Parmi ces techniques, la Reverse Time Migration (RTM) est connue pour sa précision. Elle utilise les ondes réfléchies pour reconstruire une carte du sous-sol représentant les interfaces géophysiques. Elle peut être décrite en trois étapes : (i) propager le champs émis par les sources durant la campagne d’acquisition; (ii) pour chaque source, propager le champ enregistré par les récepteurs; (iii) obtenir une image du sous-sol en appliquant une condition d’imagerie à chaque pas de temps et pour chaque source. Cette technique requiert de très grosses capacités de calcul et il est encore difficile d’imager des milieux réalistes 3D, même avec l’aide du calcul haute performance. Nous avons choisi la méthode de Galerkine discontinue pour modéliser la partie propagation car elle permet d’obtenir des solutions précises et est adaptable au calcul parallèle. La quantité d’information à sauvegarder pour faire une corrélation étant importante, on se doit de trouver un algorithme de calcul d’images du sous-sol réduisant ce coût. Nous avons utilisé l’algorithme de Griewank, appelé “Optimal Checkpointing”. Ce problème de coût étant réglé, on se doit de considérer l’efficacité des ondes élastiques incluant des champs multiples pour améliorer la précision de l’image. La condition traditionnelle de J. Claerbout ne prend pas en compte les conversions d’ondes, et n’est alors surtout utile que dans le cas acoustique. De plus, les ondes P et S interagissant entre elles, il est intéressant de trouver une condition d’imagerie utilisant ce fait. Cela a été abordé dans le cadre de la méthode de l’état adjoint dans les travaux de A. Tarantola et J. Tromp et ce travail en propose utilisation dans le cadre de la RTM. Nous proposons une nouvelle condition d’imagerie prenant en compte les paramètres élastiques du milieu considéré et permettant de supprimer les artefacts numériques. Nous illustrons les images sur des cas industriels / Since a large number of sedimentary basins have been explored, oil exploration is now interested in investigating regions of the Earth which are hostile. Among existing methods for seismic imaging, Reverse Time Migration (RTM) is a technique known by industry to be efficient. The RTM uses reflected waves and is able to construct a map of the subsurface which is depicted by the interfaces limiting the geophysical layers. The algorithm of RTM can be described as a three-step procedure: (i) compute the wavefields emitted by the sources used during the seismic acquisition campaign; (ii) for each source, compute the so-called “backpropagated wavefield”, which is the wavefield obtained by using as sources the signals recorded at the receivers during the acquisition campaign and by reversing the time; (iii) get an image of the subsurface by applying an imaging condition combining the propagated and the backpropagated wavefields at each time step of the numerical scheme and for each source. This technique is computationnaly intensive and it is still difficult to image realistic 3D elastic media, even with the help of HPC. We have thus chosen to consider high-order Discontinuous Galerkin Methods which are known to be well-adapted to provide accurate solutions based upon parallel computing. As we need to correlate a lot of wavefields, we need to find an algorithm reducing the CPU time and the storage : this is the Griewank’s algorithm, so-called “Optimal Checkpointing”. The traditional imaging condition, proposed by J. Claerbout, does not take wave conversions into account and since P-wave and S-wave interact with each other, it might be relevant to use an imaging condition including these interactions. In fact, this has been done successfully by A. Tarantola and J. Tromp for seismology applications based upon the inversion of the global Earth. In this work, we propose a new imaging condition using the elastic parameters which attenuates numerical artifacts. We illustrate the properties of the new imaging condition on industrial benchmarks like the Marmousi model. In particular, we compare the new imaging condition with other imaging conditions by using as criteria the quality of the image.

Orientador: João Frederico da Costa Azevedo Meyer / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Matematica, Estatistica e Computação Cientifica / Made available in DSpace on 2018-10-08T14:48:19Z (GMT). No. of bitstreams: 1 SaavedraVasquez_JulioCesar_D.pdf: 2693907 bytes, checksum: b3b22b83e62ead2cea6f7a9f22b7be6d (MD5) Previous issue date: 2005 / Resumo: Neste trabalho, é analisado o comportamento transiente da dispersão de água pro-duzida decorrente da atividade offshore, através de simulação numérica. O processo de dispersão é modelado através de um sistema de Equações Diferenciais Parciais que reúne as equações clássicas de Stokes e de Difusão-advecçãojreação em 3D, sendo que as veloci-dades obtidas na resolução numérica da I equação são usadas como parâmetro na equação de Difusão. Uma vez verificada existência e unicidade da solução da formulação variaci-onal, são aplicados os métodos SUPG(de ordem II) e Crank-Nicolson, que correspondem a métodos de elementos finitos no espaço e diferenças finitas no tempo respectivamente, para achar uma solução aproximada do problema original. Adicionalmente estabelecemos algumas estimativas do erro induzido pelo método de Galerkin tanto no caso contínuo como no discreto no tempo.Finalmente incluimos a implementação de um programa computacional o qual, através de diversas simulações de diferentes cenários, permite ilustrar a capacidade qualitativa do modelo e sua abordagem computacional / Abstract: In this work we study the evolutionary behavior of dispersal process of produced water resultant from off-shore activities, using a system of the classic partial differen-tial equations to mo deI both a circulation map as well as diffusion and advection in a three-dimensional domain. An existence and uniqueness result is obtained in the studied case, where finite elements are used in spatial discretization and finite differences in the Crank-Nicolson form are used for time steps. A Streamline-upwindjPetrov-Galerkin II adaptation is used for obtaining the necessary numerical approximations. Error estimates are established for Galerkin's method in both the continuous and discrete cases. An algo-rithm is presented with which several scenarios were carried out and discussed, illustrating qualitative merits of the process and its computational expression / Doutorado / Matematica / Doutor em Matemática

Thesis (Ph. D.)--Ohio State University, 2007. / Title from first page of PDF file. Includes bibliographical references (p. 135-144).

Cette thèse traite des méthodes d’éléments finis Galerkin discontinus d’ordre élevé pour la résolution d’équations aux dérivées partielles, avec un intérêt particulier pour l’équation de transport des neutrons. Nous nous intéressons tout d’abord à une méthode de pré-traitement de matrices creuses par blocs, qu’on retrouve dans les méthodes Galerkin discontinues, avant factorisation par un solveur multifrontal. Des expériences numériques conduites sur de grandes matrices bi- et tri-dimensionnelles montrent que cette méthode de pré-traitement permet une réduction significative du ’fill-in’, par rapport aux méthodes n’exploitant pas la structure par blocs. Ensuite, nous proposons une méthode d’éléments finis Galerkin discontinus, employant des éléments d’ordre élevé en espace comme en angle, pour résoudre l’équation de transport des neutrons. Nous considérons des solveurs parallèles basés sur les sous-espaces de Krylov à la fois pour des problèmes ’source’ et des problèmes aux valeur propre multiplicatif. Dans cet algorithme, l’erreur est décomposée par projection(s) afin d’équilibrer les contraintes numériques entre les parties spatiales et angulaires du domaine de calcul. Enfin, un algorithme HP-adaptatif est présenté ; les résultats obtenus démontrent une nette supériorité par rapport aux algorithmes h-adaptatifs, à la fois en terme de réduction de coût de calcul et d’amélioration de la précision. Les valeurs propres et effectivités sont présentées pour un panel de cas test industriels. Une estimation précise de l’erreur (avec effectivité de 1) est atteinte pour un ensemble de problèmes aux domaines inhomogènes et de formes irrégulières ainsi que des groupes d’énergie multiples. Nous montrons numériquement que l’algorithme HP-adaptatif atteint une convergence exponentielle par rapport au nombre de degrés de liberté de l’espace éléments finis. / We consider high order discontinuous-Galerkin finite element methods for partial differential equations, with a focus on the neutron transport equation. We begin by examining a method for preprocessing block-sparse matrices, of the type that arise from discontinuous-Galerkin methods, prior to factorisation by a multifrontal solver. Numerical experiments on large two and three dimensional matrices show that this pre-processing method achieves a significant reduction in fill-in, when compared to methods that fail to exploit block structures. A discontinuous-Galerkin finite element method for the neutron transport equation is derived that employs high order finite elements in both space and angle. Parallel Krylov subspace based solvers are considered for both source problems and $k_{eff}$-eigenvalue problems. An a-posteriori error estimator is derived and implemented as part of an h-adaptive mesh refinement algorithm for neutron transport $k_{eff}$-eigenvalue problems. This algorithm employs a projection-based error splitting in order to balance the computational requirements between the spatial and angular parts of the computational domain. An hp-adaptive algorithm is presented and results are collected that demonstrate greatly improved efficiency compared to the h-adaptive algorithm, both in terms of reduced computational expense and enhanced accuracy. Computed eigenvalues and effectivities are presented for a variety of challenging industrial benchmarks. Accurate error estimation (with effectivities of 1) is demonstrated for a collection of problems with inhomogeneous, irregularly shaped spatial domains as well as multiple energy groups. Numerical results are presented showing that the hp-refinement algorithm can achieve exponential convergence with respect to the number of degrees of freedom in the finite element space

Contrairement aux liquides ordinaires, les fluides complexes comme le sang exhibent des comportements étranges qui dépendent essentiellement des structures sous-jacentes qui les composent. La simulation des écoulements sanguins continue de poser un formidable défi pour les modélisations théoriques et numériques dont l'intérêt est de développer des méthodes et des outils de simulation pour la communauté médicale. Nous proposons dans cette thèse une contribution à ce projet qui sera majoritairement centré sur les aspects numériques et informatiques. Nous nous sommes particulièrement intéressés à l'interaction entre le sang et la paroi vasculaire, qui joue un rôle important dans les grandes artères comme l'aorte. Nous nous sommes aussi investis dans la simulation du transport des cellules sanguines dans le sang. Pour la résolution des équations aux dérivées partielles décrivant nos modèles d'hémodynamique, nous avons choisi d'utiliser des méthodes numériques dont la précision pourra être accrue de manière arbitraire. Dans ce but, les principaux ingrédients qui ont été mis en oeuvre sont (i) la méthode des éléments finis basée sur des approximations de Galerkin d'ordre arbitraire en espace et géométrie, (ii) la méthode ALE pour la prise en compte de la mobilité des domaines pour des déplacements d'ordre arbitraire, (iii) les couplages implicites et semi-implicites pour l'interaction fluide-structure. Nous proposons également une nouvelle formulation de la méthode de la frontière élargie visant à modéliser le transport de particules déformables immergées dans un fluide. Nos simulations numériques se sont appuyées sur la librairie de calcul Feel++, spécialisée dans la résolution d'EDP. Outre l'implémentation des modèles physiques, nous y avons développé diverses fonctionnalités nécessaires à la mise en oeuvre de nos méthodes : interpolation, méthode de Galerkin non standard, méthode ALE, environnement pour l'interaction fluide-structure. De plus, de par la taille des géométries et la complexité des modèles mis en jeu, le passage au calcul parallèle a été indispensable pour pouvoir réaliser nos simulations. Ainsi, nous avons décrit le développement qui a été effectué dans cette librairie pour permettre le déploiement de nos programmes sur des architectures parallèles. / Unlike ordinary liquids, complex fluids such as blood exhibit strange behavior mainly dependent underlying structures that compose them. Simulation of blood flow remains a formidable challenge for theoretical and numerical modeling whose interest is to develop methods and simulation tools for the medical community. We propose in this work a contribution to this project will be mainly focused on numerical and computational aspects. We are particularly interested in the interaction between the blood and the vascular wall, which plays an important role in the large arteries as the aorta. We also invested in transport simulation of blood cells in the blood. For solving partial differential equations describing our hemodynamic models we chose to use numerical methods whose accuracy can be increased arbitrarily. For this purpose, the main ingredients that have been used are textit {(i)} the finite element method based on Galerkin approximations of arbitrary order in space and geometry, (i) the ALE method for taking into account the mobility of areas for movements of arbitrary order, (ii) the implicit and semi-implicit coupling for fluid-structure interaction. We also propose a new formulation of the method of boundary extended to model the transport of deformable particles immersed in a fluid. Our numerical simulations were based on the library Feel++ specializing on the EDP resolution. In addition to implementing physical models, we have developed various features are necessary for the implementation our methods: interpolation, Galerkin non-standard method, ALE method, framework for fluid-structure interaction. In addition, the size and geometry of the complexity of the models involved, the transition to parallel computing was essential in order to achieve our simulations. Thus, we have described the development was carried out in the library to allow deployment of our programs on parallel architectures.

Orientador: Luiz Felipe Mendes de Moura / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Mecânica / Made available in DSpace on 2018-08-17T11:43:11Z (GMT). No. of bitstreams: 1 Romao_EstanerClaro_D.pdf: 1521072 bytes, checksum: 77c6ac2ca14bf77a766f7f88487a59c5 (MD5) Previous issue date: 2011 / Resumo: Este trabalho trata da aplicação do Método dos Elementos Finitos nas variantes Galerkin e Mínimos Quadrados com equações auxiliares para a solução numérica da equação diferencial parcial que modela a convecção-difusão-reação definida sobre um domínio tridimensional em regime permanente. Na discretização espacial foram utilizados elementos hexaedrais com oito (elemento linear) e vinte e sete (elemento quadrático) nós, no qual foram adotadas funções de interpolação de Lagrange nas coordenadas locais. Transformando toda a formulação do problema das coordenadas globais para as coordenadas locais, o Método da Quadratura de Gauss-Legendre foi utilizado para integração numérica dos coeficientes das matrizes dos elementos. Adicionalmente, à formulação pelos dois métodos, um código computacional foi implementado para simular o fenômeno proposto. Dispondo de soluções analíticas, várias análises de erro numérico foram realizadas a partir das normas L2 (erro médio no domínio) e L? (maior erro cometido no domínio), validando assim os resultados numéricos. Um caso real é proposto e analisado / Abstract: This paper the application of the Finite Element Method in variants Galerkin and Least Squares with auxiliary equations for the numerical solution of partial differential equation that models the convection-diffusion-reaction defined over a three-dimensional domain in steady state. In the spatial discretization were used hexahedrons elements with eight (linear element) and twenty-seven (quadratic element) nodes, which were adopted Lagrange interpolation functions in local coordinates. Transforming the problem of global coordinates to local coordinates, the method of Gauss-Legendre quadrature was used for numerical integration of the coefficients of the matrices of the elements. Additionally, the formulation by the two methods, a computer code was implemented to simulate the phenomenon proposed. Offering analytical solutions, several numerical error analysis were performed from L2 norms (average error in the domain) and L? (higher error in the domain), thus validating the numerical results. A real case is proposed and analyzed / Doutorado / Termica e Fluidos / Doutor em Engenharia Mecânica

Orientador: João Frederico da C. A. Meyer / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Matematica, Estatistica e Computação Cientifica / Made available in DSpace on 2018-08-13T10:29:33Z (GMT). No. of bitstreams: 1 Abreu_LucianaCarrara_M.pdf: 4346828 bytes, checksum: 033ab3f8708d62fd87d7a14fc7b8bb11 (MD5) Previous issue date: 2009 / Resumo: Este trabalho se constitui numa ferramenta que possibilita melhor avaliar, através de simulações computacionais, como a poluição pode afetar (ou vir a afetar) populações de macroalgas que interagem, também, entre si num importante ecossistema marinho localizado próximo à região metropolitana do Rio de Janeiro, a baía de Sepetiba. Com base no relato de estudos de campo nesta baía, foram reunidas informações sobre as características das principais macroalgas desta região, bem como sobre a poluição e suas influências sobre a flora marinha local. Neste cenário, foi justificadamente construído um modelo evolutivo formado por equações diferenciais parciais que descrevem a interação entre duas espécies de macroalgas sob a influência de um poluente de superfície, que pode ser tóxico ou servir de alimento às plantas marinhas, variando de uma espécie a outra. Inevitavelmente, participam desta interação as células de reprodução de cada espécie de macroalga e, por isso, estão incluídas no modelo. Estão apresentadas as formulações clássica e variacional de um modelo mais simples, com as posteriores discretizações espaciais, em que foi utilizado o método de Elementos Finitos (aqui com elementos triangulares de primeira ordem), e discretização temporal, com o uso do método de Crank-Nicolson, de segunda ordem de aproximação. As discretizações, no modelo mais complexo, seguem passos totalmente análogos aos do modelo mais simples. É também apresentado um capítulo sobre o cálculo das submatrizes de rigidez, necessário para a implementação. Finalmente são mostrados alguns experimentos computacionais que permitem simular situações hipotéticas de risco, com o objetivo de se obter cenários de impactos causados pela poluição sobre a flora marinha local e, com isso, alertar para os problemas gerados pela intervenção antrópica na região e motivar um planejamento de estratégias e políticas de prevenção e de contingência. / Abstract: This work describes a tool created to enable better evaluations - by the adequate use of computational simulations - of how environmental impact can affect (or come to affect) different populations of macroalgae which interact among themselves in an important marine ecosystem located south of Rio de Janeiro state, that of Sepetiba bay. Based upon previous records of local studies in this area, data was collected highlighting characteristics of these species of macroalgae, as well as that of the effect of pollution upon local marine flora. In this general setting, a model was developed based on a non-linear system of partial differential equations that describes the interaction among two distinct species of algae under the impact of a polluting material, an impact that can either be toxic or a nourishment for one or both of these algae. Population dynamics and movements are included in the model, as well as reproduction cells of these species. Classic and variational formulations are presented, with Ritz-Galerkin discretization for space variables, as well as a Crank-Nicolson method for approximations in time, both methods of second-order. Simpler variations of the model (and of the discretized approximation) are presented in order to gain an insight as regards the algorithmic processes. In the more complex situation, a separate chapter describes the numerical and computational tools necessary in the deffnition of the final schemes. Computationally defined dynamical scenarios are presented, illustrating how risk assessments can be undertaken, simulating the mentioned effects of the presence of polluting materials in the region, creating an important tool for possible effects of the anthropic activities in the region, permitting the planning processes for the establishment of strategies and policies for environmental protection and damage repair. / Mestrado / Mestre em Matemática Aplicada