Investigações da dinâmica crítica em modelos de magnetismo, para tempos curtos, têm aparecido com grande freqüência na literatura. Essa técnica foi descoberta por Li, Schülke e Zheng que, inspirados em trabalhos anteriores de Huse e Janssen et al., mostraram que generalizações de grandezas como a magnetização e o cumulante de Binder exibem comportamento universal já no início da simulação. O estudo da criticalidade em tempos curtos proporciona um caminho alternativo para a estimativa do expoente z, além de permitir o cálculo de um novo expoente dinâmico θ, associado ao comportamento anômalo da magnetização. Da mesma forma, simulações dependentes do tempo tornaram-se ferramenta útil para estudar transições de fase em autômatos celulares e modelos de spin. Em particular, as melhores estimativas para o expoente z do Ising bidimensional foram obtidas por meio da técnica de propagação de danos, introduzida por Kauffman no estudo de autômatos e mais tarde generalizada para modelos de spin. Na primeira parte deste trabalho utilizamos o método Monte Carlo em tempos curtos para investigar o modelo de Baxter-Wu, definido em uma rede bidimensional triangular com variáveis do tipo Ising, acopladas por interações de três corpos. Obtivemos os expoentes críticos dinâmicos z e θ além dos índices críticos estáticos ß e Nû. Os resultados não corroboram aqueles recentemente obtidos por Santos e Figueiredo para o expoente z. Na segunda parte do trabalho, investigamos a propagação de danos no modelo de Ising unidimensional submetido a duas dinâmicas propostas por Hinrichsen e Domany (HD). Em particular, nós estudamos o efeito da atualização síncrona (paralela) e assíncrona (dinâmica contínua) sobre o espalhamento do dano. Mostramos que o dano não se propaga quando a segunda dinâmica é implementada de forma assíncrona. Também mostramos que as regras para atualização do dano produzidas por essa dinâmica, quando a temperatura vai a infinito e um certo parâmetro Lambda é igual a zero, são equivalentes àquelas do bem conhecido autômato celular (modelo A) de Grassberger. / Short-time simulations have been used with great frequency in the literature. That technique was discovered by Li, Shülke and Zheng that, inspired in previous works by Huse and Janssen et al., showed that generalizations of quantities like magnetization and the Binder´s cumulant exhibit universal behavior in the beginning of the simulation (early time behavior). The study of criticality in short-times provides an alternative way to estimate the dynamic critical exponent z, besides allowing the calculation of a new dynamic exponent θ, associated to the anomalous behavior of the magnetization. In the same way, time-dependent simulations became a useful tool to study phase transitions in cellular automata and also for spin models. In fact, the best estimates for the exponent z of the two-dimensional Ising model were obtained through the technique of damage spreading, introduced by Kauffman in the study of cellular automata, later widespread for spin models. In the first part of this work we used short-time Monte Carlo simulations to investigate the Baxter-Wu model, defined in a triangular lattice whose variables are Ising-like coupled by triplet interactions. We have obtained estimates for the dynamic critical exponents z and θ besides static exponents ß e Nû. Our results do not corroborate recent estimates by Santos and Figueiredo for the critical exponent z. In the second part of this work, we investigated the damage spreading in the one-dimensional Ising model under two dynamics introduced by Hinrichsen and Domany (HD). In particular, we study the effects of synchronous (parallel) and asynchronous (continuous dynamics) updating on the spreading properties. We showed that the damage does not spread when the second dynamic is implemented in an asynchronous way. We found that the rules for updating the damage produced by this dynamic, as the temperature goes to infinity and a certain parameter Lambda is zero, are equivalent to those of Grassberger’s well-known model A cellular automaton.

Made available in DSpace on 2016-03-15T19:38:04Z (GMT). No. of bitstreams: 1 ANA LEDA SILVA MORAES.pdf: 1708515 bytes, checksum: 8e07dd190f9a5fd165c14e35c2c626b0 (MD5) Previous issue date: 2016-02-01 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Epidemiology is the science that studies the occurrence of diseases in a population. The results of these studies allow a comprehension of a disease propagation and enable actions in order to control epidemics. There are many mathematical models used in epidemiological studies; in which SIR-like models are the most used. In this model, the population is divided into three groups: S - susceptible individuals to infection, I - infected individuals, and R - recovered individuals. The proposal of this thesis is, based on a new SIR model, taking into consideration the effect of recovered individuals on the propagation of contagious diseases and on the recovery of sick individuals. This can be relevant to the study of propagation of typical diseases in children, since immune individuals can catalyze the encounters among susceptible children and infected children, as well as to contribute to the recovery of sick individuals. The predictive ability of the proposed model is evaluated from the records refering to the incidence of chickenpox in Belgium, Germany and Italy, in a pre-vaccination era. / Epidemiologia é a ciência que estuda as ocorrências de doenças numa população. Os resultados desses estudos permitem uma compreensão do comportamento da incidência da doença e possibilita ações a fim de controlar epidemias. Há vários modelos matemáticos que são utilizados para estudos epidemiológicos, sendo modelos do tipo SIR os mais empregados. Nesse modelo, divide-se a população em três classes: 𝑆 - indivíduos suscetíveis à infecção, 𝐼 - indivíduos infectados, e 𝑅 - indivíduos recuperados. A proposta desta dissertação é, a partir de um novo modelo SIR, levar em consideração o efeito de indivíduos recuperados na propagação de doenças contagiosas e na recuperação de indivíduos doentes. Isso pode ser relevante no estudo da propagação de infecções típicas de crianças, já que indivíduos imunes podem servir como catalisador de encontros entre crianças suscetíveis e crianças infectadas, bem como contribuir para a recuperação de indivíduos doentes. A capacidade preditiva do modelo proposto é avaliada a partir dos registros referentes à incidência de varicela na Alemanha, Bélgica e Itália, numa era pré-vacinação.

Made available in DSpace on 2016-03-15T19:38:51Z (GMT). No. of bitstreams: 1 Pericles do Prado Turnes Junior.pdf: 1375255 bytes, checksum: 24dc630ef135368b840995d533e161e8 (MD5) Previous issue date: 2014-07-29 / Instituto Presbiteriano Mackenzie / There are many epidemiological models written in terms of ordinary differential equations (ODE). This approach is based on the homogeneous mixing assumption; that is, the topological structure of the network of social contacts, established by the individuals in the population, is not relevant to forecast the propagation of the studied pathogen. In this work, an epidemiological model formulated in terms of ODE and probabilistic cellular automata (PCA) is proposed to study the spread of contagious diseases that do not conferimmunity. The state variables of this model are the percentages of susceptible individuals, infected individuals and empty space. It is shown that this dynamical system can experience Hopf and transcritical bifurcations. Then, this model is used to evaluate the validity of the homogeneous mixing assumption, by using real data related to the transmission of gonorrhea, hepatitis C virus, human immunodeficiency virus and obesity. / Muitos modelos epidemiológicos são escritos em termos de equações diferenciais ordinárias (EDO). Essa abordagem baseia-se no pressuposto de mistura homogênea; ou seja, a estrutura topológica da rede de contatos sociais, estabelecida pelos indivíduos da população, não é relevante para prever o avanço do patógeno em estudo. Neste trabalho, é proposto um modelo epidemiológico formulado em termos de EDO e de autômato celular probabilista (ACP) para estudar a propagação de doenças contagiosas que não conferem imunidade. As variáveis de estado desse modelo são as porcentagens de indivíduos suscetíveis, de indivíduos infectados e de espaço vazio. Mostra-se que esse sistema dinâmico pode apresentar bifurcações de Hopf e transcrítica. O modelo é , então, usado para avaliar a validade da hipótese de mistura homogênea, usando dados relacionados à transmissão de gonorreia, vírus da hepatite C, vírus da imunodeficiência humana e obesidade.

Made available in DSpace on 2016-04-18T21:39:48Z (GMT). No. of bitstreams: 2 Angelo Schranko de Oliveira1.pdf: 925871 bytes, checksum: 812a592f67dbda8b36f5168fbd5f2598 (MD5) Angelo Schranko de Oliveira2.pdf: 2918106 bytes, checksum: 0969a0bf28b426ce84fe4595d80a73c2 (MD5) Previous issue date: 2009-01-28 / Wolfram Research, Inc. / Cellular automata (CAs) can be defined as discrete dynamical systems over n-dimensional networks of locally connected components, whose evolution occur in a discrete, synchronous and homogeneous fashion. Among their several applications, they have been used as a tool for complex systems modeling governed by fundamental laws of conservation (number-conserving cellular automata) or reversibility (reversible cellular automata). Another fundamental property that can be observed in CAs is regarding to their linearity (linear cellular automata) or nonlinearity. Usually, linear phenomena present low dynamic complexity, however, nonlinear phenoma can present complex behaviours like sensitive dependence on initial conditions and routes to chaos. This work focuses on investigating properties of cellular automata belonging to the intersection of those four classes, namely, reversible, number-conserving, and linear or nonlinear cellular automata. After presenting basic definitions, the notions of number-conserving cellular automata, conservation degree and reversibility are reviewed. Following, a dynamical characterisation parameter which relates the reversibility property of a onedimensional cellular automaton and the pre-images of their basic blocks is introduced, and some proofs of its general properties are given. Empirical observations herein suggest that a cellular automaton is reversible and number-conserving if, and only if, its local transition function is a composition of the local transition functions of the reversible, number-conserving cellular automata with neighbourhood size n=2; such an observation was drawn for neighbourhood sizes n∈{2, 3, 4, 5, 6} and number of states q=2; n∈{2, 3} and q=3; n∈{2, 3} and q=4. A proof for such a conjecture would allow the enumeration between neighbourhood lengths and the quantity of reversible, numberconserving cellular automata in the corresponding space, which can be easily identified by working out the compositions of the local transition functions with n=2. Finally, some relationships between reversible, number-conserving, linear and nonlinear CA rules, their spatio-temporal diagrams and basin of attraction fields are presented. / Autômatos celulares (ACs) podem ser definidos como sistemas dinâmicos sobre redes ndimensionais de componentes localmente conectados, cuja evolução ocorre de forma discreta, síncrona e homogênea. Dentre suas diversas aplicações, têm sido utilizados como ferramenta para modelagem de sistemas complexos regidos por leis fundamentais de conservação (autômatos celulares conservativos) ou reversibilidade (autômatos celulares reversíveis). Outra propriedade fundamental que pode ser observada nos ACs diz respeito à sua linearidade (autômatos celulares lineares) ou nãolinearidade. Fenômenos lineares normalmente apresentam menor complexidade dinâmica, enquanto fenômenos não-lineares podem apresentar propriedades tais como sensibilidade às condições iniciais e rotas para caos. O presente trabalho concentra-se na investigação de propriedades de autômatos celulares unidimensionais pertencentes à interseção dessas quatro classes, isto é, autômatos celulares unidimensionais conservativos, reversíveis, e lineares ou não-lineares. Após definições básicas, são revisitados os conceitos de conservabilidade e reversibilidade. Em seguida, introduz-se um parâmetro de caracterização dinâmica que relaciona a distribuição do número de pré-imagens dos blocos básicos à reversibilidade de autômatos celulares unidimensionais e apresentam-se algumas demonstrações decsuas propriedades gerais. Observações empíricas aqui realizadas sugerem que um autômato celular unidimensional é conservativo e reversível se, e somente se, sua função local de transição de estados é uma composição das funções locais de transição de estado dos autômatos celulares conservativos e reversíveis de vizinhança de comprimento n=2; tal observação foi constatada para vizinhanças de comprimento n∈{2, 3, 4, 5, 6} e quantidade de estados q=2; n∈{2, 3} e q=3; n∈{2, 3} e q=4. Uma demonstração para tal conjectura permitiria estabelecer uma enumeração entre os comprimentos das vizinhanças e a quantidade de autômatos celulares unidimensionais conservativos e reversíveis no espaço correspondente, os quais podem ser facilmente identificados através do cálculo das composições das funções locais de transição de estados com n=2. Por fim, apresentam-se relações entre as classes dos ACs conservativos, reversíveis, lineares e não-lineares, suas dinâmicas espaçotemporais e campos de bacias de atração.

Nous montrons qu’un modèle pour une théorie des champs à base d’automate cellulaire quantique est compatible avec une relativité restreinte déformée. En asso- ciant les lois de la physique à la règle d’évolution de l’automate, nous obtenons une version du principe de relativité où les états évoluant sur la grille de l’automate sont sujets à des transformations de Lorentz modifiées. Nous montrons ensuite que les déformations non-linéaires à l’espace des impulsions et des énergies mèneraient à une relativité de la localité et, dans des condition appropriées, produiraient un renversement de l’effet relativiste de contraction des longueurs. Nous considérons également les simulations de la physique sur calcul quantique d’un point de vue philosophique, demandant si notre monde pourrait faire partie d’une telle simulation et voyant comment des observations provenant de l’extérieur pourraient agir sur la simulation. / We show that a quantum field model based on a quantum cellular automaton requires a deformed special relativity. By associating the laws of physics with the automaton evolution rule, we obtain a version of the relativity principle where states evolving on the automaton must transform according to modified Lorentz transforma- tions. We then show that a non-linear momentum and energy space gives rise to the phenomenon of relative locality and that, under appropriate conditions, the relativistic length contraction effect must be reversed. We also consider simulations of physics on a philosphical level, asking if we might live inside such a simulation and seeing how observers from outside might interact if they attempt to observe us in such a context.

The simulation of natural phenomena such as clouds, smoke, fire and water is one of the most important research areas in computer graphics. Clouds are an essential component of any outdoor virtual environment, they add an important element of visual detail without which the environment would feel unrealistic. This paper describes an approach for setting up a cloud simulation. Clouds in our system are modeled using cellular automaton. To accelerate the simulation and its visualization, we implement both  entirely on programmable floating-point graphics hardware. The main part of the algorithm is implemented in a fragment shader and therefore takes full advantage of the highly parallel structure. The algorithm can generate result at real-time or near real-time frame rates. We also simulate the interaction of clouds with light, including self-shadowing.

The aim of this thesis is to experimentally evaluate the performance of several distinct representations of transition functions for cellular automata. Cellular automata have many potential applications for simulating various phenomena (e.g. natural processes, physical systems, etc.). Parallel computation of cellular automata is based on local cell interactions. Such computation, however, may prove difficult to program the CA, which is the reason for applying evolutionary techniques for the design of cellular automata in many cases. Evolutionary algorithms, based on Darwin's theory of evolution, have been used to find human-competitive solutions to many problems. In order to perform the evolutionary design of cellular automata, special encodings of the candidate solutions are often necessary. For this purpose the performance testing of various representations of the transition functions will be investigated. In particular, table representation, conditionally matching rules, and genetic programming will be treated. The problem of square calculations in cellular automata will be considered as a case study.

La modélisation multi-échelle des procédés de solidification présente un grand intérêt pour les industries. Toutefois, il est difficile de coupler les phénomènes prenant place à de multiples échelles pour obtenir des simulations quantitatives à grande échelle. Ceci est réalisé en combinant trois méthodes : les éléments finis (FE), un automate cellulaire (CA) et la méthode Parabolic Thick Needle(PTN). La méthode FE permet une résolution des équations de conservation écrites pour des quantités moyennées, ce qui est adapté aux calculs de grands domaines. Elle permet la description macroscopique des transferts de chaleur et de masse. De plus, la méthode CA permet de suivre le développement de l’enveloppe de chaque grain dendritique à une échelle mésoscopique. Le couplage de ces deux méthodes est le modèle CAFE et il a démontré son efficacité pour simuler quantitativement la solidification et notamment la transition colonnaire - équiaxe. Le Dendritic Needle Network (DNN) est une méthode mésoscopique introduite récemment. Celle-ci s’appuie sur la conservation de la masse de soluté à proximité des pointes dendritiques pour calculer avec précision leur cinétique de croissance. Comme cette méthode repose sur l’estimation directe du gradient de composition à l’interface solide/liquide, le régime de croissance n’est plus supposé stationnaire. Nous introduisons la méthode Parabolic Thick Needle PTN reprenant la méthode de croissance du DNN pour une pointe. Elle est implémentée avec une méthode des éléments finis pour résoudre le flux de soluté est largement validé par rapport aux résultats analytiques provenant de la solution d’Ivantsov. Le couplage du CAFE avec la cinétique de croissance provenant du PTN permet d’obtenir un modèle unique de solidification s’appuyant sur 3 échelles. La grille CA gère à la fois la forme des enveloppes des grains et les mécanismes de ramification. Le maillage FE est utilisé pour résoudre les problèmes de flux et de conservation de masse et d’énergie à la fois à l’échelle de la couche de soluté de la pointe et à l’échelle du domaine simulé. Ceci est rendu possible grâce à une stratégie de remaillage anisotrope multi-critères. Diverses simulations démontrent les capacités du modèle. Les pistes d’amélioration sont développées pour espérer, à terme, une simulation 3D d’expériences de laboratoire. / Multiscale modelling of solidification processes is of great interest for industries. However coupling the multiple scale phenomena to reach quantitative large simulations is challenging. This is achieved using a combination of three methods : the Finite Element (FE), the Cellular Automaton (CA) and the Parabolic Thick Needle (PTN). The FE method provides a solution of the conservation equations, written for volume average quantities, that is suitable for large domain size computations. It serves for macroscopic description of heat and mass transfers. Additionally, the CA method tracks the development of the envelope of each individual dendritic grain at a mesoscopic scale. The coupling of these two methods is the CAFE model and was demonstrated to provide efficient and quantitative simulations of the columnar-to-equiaxed transition for instance. The Dendritic Needle Network (DNN) is another mesoscopic method recently introduced. It uses solute mass balance considerations in the vicinity of the tip of the dendrites to compute accurately the growth kinetics. Because it relies on adirect estimation of the composition gradient at the solid-liquid interface, steady state growth regime is no longer assumed. We introduce the Parabolic Thick Needle (PTN) method inspired from the DNN’s computed growth idea for one dendritetip. Its implementation with a FE method to solve the solute flow is extensively validated against analytical results given by the Ivantsov solution. Coupling CAFE with PTN computed growth kinetics provides a unique solidification model. The CA grid handles both the shape of the grain envelopes and branching mechanisms. The FE mesh is used to solve flux and conservation of mass and energy at both the scale of the dendrite tip solute layer and the domain dimensions. It is possible thanks to adaptive remeshing strategies. Various simulations demonstrate the capabilities of the model. The improvement areas are being developed in order to hope, in the long term, for 3D simulation laboratory experiments.

Ce manuscrit présente une étude des mécanismes de condensation et d'évaporation dans des membranes d'alumine poreuse. Ce matériau poreux possède des pores quasi-cylindriques de taille nanométrique faiblement distribués en diamètres qui, contrairement à beaucoup d'autres milieux poreux, ne sont pas interconnectés. L'alumine poreuse est donc un milieu idéal pour sonder l'influence du confinement sur la condensation et l'évaporation à l'échelle du pore unique.La première partie discute mes résultats dans des membranes disposant de pores droits ouverts aux deux extrémités ou fermés d'un côté. Des mesures d'isothermes de sorption à l'hexane couplées à une étude originale du comportement optique des membranes pour sonder la répartition du liquide dans les pores, indiquent ces derniers ne sont pas parfaitement cylindriques, mais ont une forme conique et possèdent des corrugations marquées. En tenant compte de ces imperfections grâce à des simulations par automate cellulaire, j'ai pu reproduire numériquement les isothermes mesurées. Cet accord montre que la théorie de Saam & Cole décrit bien la condensation et l'évaporation dans un pore unique.La seconde partie met en évidence l'évaporation par cavitation dans les membranes d'alumine poreuse. Un protocole de synthèse spécifique m'a permis d'obtenir des membranes avec des pores en forme d'encrier. Dans ces dernières, j'ai systématiquement observé, optiquement et volumétriquement, une vidange brutale des pores à 0.33 Psat.Celle-ci correspond à la cavitation homogène de l'hexane dans les cavités des encriers, c'est-à-dire à la nucléation thermiquement activée d'une bulle de gaz sphérique dans le liquide sous tension. Il s'agit de la première observation directe d'un tel mécanisme d'évaporation dans des membranes poreuses. / This manuscript presents a study of condensation and evaporation mechanisms in porous alumina membranes. This porous material has almost cylindrical pores of nanometric diameter with a narrow pore size distribution. Unlike many other porous media, their pores are not interconnected. Porous alumina is therefore an ideal material to probe the effects of confinement on condensation and evaporation in a single pore.The first part discusses my results obtained on membranes with straight pores open at both extremities or closed at one side. Sorption isotherms using hexane coupled to an original study of the membranes optical behaviour allow us to probe the liquid distribution within the pores. The results show that our pores are not perfectly cylindrical but funnel shaped and present corrugations. I numerically reproduced the measured isotherms with a cellular automaton, which takes into account the pores defects. This agreement implies that condensation and evaporation in a single pore are properly described by Saam & Cole theory.The second part evidences evaporation by cavitation in porous alumina membranes. A specific synthesis protocol is used to produce membranes with ink-bottle shaped pores. These membranes undergo a systematic and sudden emptying at 0.33 Psat, as measured by the optic and volumetric signals. This is the signature of the homogeneous cavitation of the liquid contained inside the ink-bottles, i.e. the nucleation of a spherical gas bubble in a liquid under tension. This is the first direct observation of such an evaporation process in porous membranes.

Denna rapport syftar till att implementera en metod för att simulera cancerceller och skapa en ökad förståelse för hur Warburgeffekten, vilket är cancercellers användning av anaerob metabolism under aeroba förhållanden, påverkar cancerceller. Detta undersöks genom att simulera i en dator hur syrehalten påverkar andelen anaeroba cancerceller i en tumör och dess spridning. I studien undersöks fem olika syrenivåer. Simuleringen görs med en Cellular Automaton-modell och startar med ett mindre antal cancerceller i mitten av ett 200x200-rutnät, omgivna av friska celler. Cancercellerna och deras beslutsmekanismer modelleras med artificiella neurala nätverk och friska celler med fastställda regler. Cancercellerna kan vid delning muteras och ge upphov till nya beteenden som sedan blir en del av selektionsprocessen. Simuleringarna visar att cancercellerna, oberoende av syrehalten, sprider sig på ett likartat vis. Genom att vissa av cancercellerna övergår från aerob till anaerob metabolism så försurar cancertumören sin omgivning, vilket dödar friska celler. Syrehaltens påverkan på andelen anaeroba celler hos tumören visar sig ha betydelse, men det är främst hos den lägsta syrehalten en markant ökning av andelen anaeroba celler noteras. Noterbart är även att andelen anaeroba celler i den här studien, för alla syrehalter, är avsevärt lägre än de 60 % som påvisats i vissa studier av Warburgeffekten gjorda på levande celler.