Os Polímeros como Sistemas Complexos

Neste trabalho, através de simulações computacionais, identificamos os fenômenos físicos associados ao crescimento e a dinâmica de polímeros como sistemas complexos exibindo comportamentos não linearidades, caos, criticalidade auto-organizada, entre outros. No primeiro capítulo, iniciamos com uma breve introdução onde descrevemos alguns conceitos básicos importantes ao entendimento do nosso trabalho. O capítulo 2 consiste na descrição do nosso estudo da distribuição de segmentos num polímero ramificado. Baseado em cálculos semelhantes aos usados em cadeias poliméricas lineares, utilizamos o modelo de crescimento para polímeros ramificados (Branched Polymer Growth Model - BPGM) proposto por Lucena et al., e analisamos a distribuição de probabilidade dos monômeros num polímero ramificado em 2 dimensões, até então desconhecida. No capítulo seguinte estudamos a classe de universalidade dos polímeros ramificados gerados pelo BPGM. Utilizando simulações computacionais em 3 dimensões do modelo proposto por Lucena et al., calculamos algumas dimensões críticas (dimensões fractal, mínima e química) para tentar elucidar a questão da classe de universalidade. Ainda neste Capítulo, descrevemos um novo modelo para a simulação de polímeros ramificados que foi por nós desenvolvido de modo a poupar esforço computacional. Em seguida, no capítulo 4 estudamos o comportamento caótico do crescimento de polímeros gerados pelo BPGM. Partimos de polímeros criticamente organizados e utilizamos uma técnica muito semelhante aquela usada em transições de fase em Modelos de Ising para estudar propagação de danos chamada de Distância de Hamming. Vimos que a distância de Hamming para o caso dos polímeros ramificados se comporta como uma lei de potência, indicando um caráter não-extensivo na dinâmica de crescimento. No Capítulo 5 analisamos o movimento molecular de cadeias poliméricas na presença de obstáculos e de gradientes de potenciais. Usamos um modelo generalizado de reptação para estudar a difusão de polímeros lineares em meios desordenados. Investigamos a evolução temporal destas cadeias em redes quadradas e medimos os tempos característicos de transporte t. Finalizamos esta dissertação com um capítulo contendo a conclusão geral denoss o trabalho (Capítulo 6), mais dois apêndices (Apêndices A e B) contendo a fenomenologia básica para alguns conceitos que utilizaremos ao longo desta tese (Fractais e Percolação respectivamente) e um terceiro e ´ultimo apêndice (Apêndice C) contendo uma descrição de um programa de computador para simular o crescimentos de polímeros ramificados em uma rede quadrada

Aspectos dinâmicos da água versus álcool e acetona por técnicas de congelamento

Water still represents, on its critical properties and phase transitions, a problem of current scientific interest, as a consequence of the countless open questions and of the inadequacy of the existent theoretical models, mainly related to the different solid and liquid phases that this substance possesses. For example, there are 13 known crystalline forms of water, and also amorphous phases. One of them, the amorphous ice of very high density (VHDA), was just recently observed. Other example is the anomalous behavior in the macroscopic density, which presents a maximum at the temperature of 277 K. In order to experimentally investigate the behavior of one of the liquid-solid phase transitions, the anomaly in its density and also the metastability, we used three different cooling techniques and, as comparison systems, we made use of the solvents: acetone and ethyl alcohol. The first studied cooling system employ a Peltier plate, a device recently developed, which makes use of small cubes made up of semiconductors to change heat among two surfaces; the second system is a commercial refrigerator, similar to the residential ones. Finally, the liquid nitrogen technique, which is used to refrigerate the samples in a container, in two ways: a very fast and other one, almost static. In those three systems, three Beckers of aluminum were used (with a volume of 80 ml, each), containing water, alcohol and acetone. They were closed and maintained at atmospheric pressure. Inside of each Becker were installed three thermocouples, disposed along the vertical axis of the Beckers, one close to the inferior surface, other to the medium level and the last one close the superior surface. A system of data acquisition was built via virtual instrumentation using as a central equipment a Data-Acquisition board. The temperature data were collected by the three thermocouples in the three Beckers, simultaneously, in function of freezing time. We will present the behavior of temperature versus freezing time for the three substances. The results show the characterization of the transitions of the liquid

Dinâmica de tempos curtos aplicado ao modelo de ising diluído por sítio em duas dimensões

Existem vários métodos de simulação para calcular as propriedades críticas de sistemas; neste trabalho utilizamos a dinâmica de tempos curtos, com o intuito de testar a eficiência desta técnica aplicando-a ao modelo de Ising com diluição de sítios. A Dinâmica de tempos curtos em combinação com o método de Monte Carlos verificou que mesmo longe do equilíbrio termodinâmico o sistema já se mostra insensível aos detalhes microscópicos das interações locais e portanto, o seu comportamento universal pode ser estudado ainda no regime de não-equilíbrio, evitando-se o problema do alentecimento crítico ( critical slowing down ) a que sistema em equilíbrio fica submetido quando está na temperatura crítica. O trabalho de Huse e Janssen mostrou um comportamento universal e uma lei de escala nos sistemas críticos fora do equilíbrio e identificou a existência de um novo expoente crítico dinâmico θ, associado ao comportamento anômalo da magnetização. Fazemos uima breve revisão das transições de fase e fenômeno críticos. Descrevemos o modelo de Ising, a técnica de Monte Carlo e por final, a dinâmica de tempos curtos. Aplicamos a dinâmica de tempos curtos para o modelo de Insing ferromagnéticos em uma rede quadrada com diluição de sítios. Calculamos o expoente dinâmicos θ e z, onde verificamos que existe quebra de classe de universilidade com relação às diferentes concentrações de sítios (p=0.70,0.75,0.80,0.85,0.90,0.95,1.00). calculamos também os expoentes estáticos β e v, onde encontramos pequenas variações com a desordem. Finalmente, apresentamos nossas conclusões e possíveis extensões deste trabalho

Modelo de ashkin-teller de três cores na rede ponte de wheatstone

In this work we study the phase transitions of the ferromagnetic three-color Ashkin-Teller Model in the hierarquical lattice generated by the Wheatstone bridge using real space renormalization group approach. With such technique we obtain the phase diagram and its critical points with respective critical exponents v. This model presents four phases: ferromagnetic, paramagnetic and two intermediates. Nine critical points were found, three of which are of Ising model type, three are of four states Potts model type, one is of eight states Potts model type and the last two which do not correspond to any Potts model with integer number of states. iv

Estudo de propriedades críticas em sistemas complexos: método de procura automática em sistemas tipo Ising e percolação de longo alcance

The new technique for automatic search of the order parameters and critical properties is applied to several well-know physical systems, testing the efficiency of such a procedure, in order to apply it for complex systems in general. The automatic-search method is combined with Monte Carlo simulations, which makes use of a given dynamical rule for the time evolution of the system. In the problems inves¬tigated, the Metropolis and Glauber dynamics produced essentially equivalent results. We present a brief introduction to critical phenomena and phase transitions. We describe the automatic-search method and discuss some previous works, where the method has been applied successfully. We apply the method for the ferromagnetic fsing model, computing the critical fron¬tiers and the magnetization exponent (3 for several geometric lattices. We also apply the method for the site-diluted ferromagnetic Ising model on a square lattice, computing its critical frontier, as well as the magnetization exponent f3 and the susceptibility exponent 7. We verify that the universality class of the system remains unchanged when the site dilution is introduced. We study the problem of long-range bond percolation in a diluted linear chain and discuss the non-extensivity questions inherent to long-range-interaction systems. Finally we present our conclusions and possible extensions of this work

Modelo de Ashkin-Teller anisotrópico: uma abordagem por grupo de renormalização

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Propriedades físicas de bicamadas magnéticas

The magnetic order of bylayers composed by a ferromagnetic film (F) coupled with an antiferromagnetic film (AF) is studied. Piles of coupled monolayers describe the films and the interfilm coupling is described by an exchange interaction between the magnetic moments at the interface. The F has a cubic anisotropy while the AF has a uniaxial anisotropy. We analyze the effects of an external do magnetic field applied parallel to the interface. We consider the intralayer coupling is strong enough to keep parallel all moments of the monolayer an then they are described by one vector proportional to the magnetization of the layer. The interlayer coupling is represented by an exchange interaction between these vectors. The magnetic energy of the system is the sum of the exchange. Anisotropy and Zeeman energies and the equilibrium configuration is one that gives the absolute minimum of the total energy. The magnetization of the system is calculated and the influence of the external do field combined with the interfilm coupling and the unidirectional anisotropy is studied. Special attention is given to the region near of the transition fields. The torque equation is used to study dynamical behavior of these systems. We consider small oscillations around the equilibrium position and we negleet nonlinear terms to obtain the natural frequencies of the system. The dependence of the frequencies with the external do field and their behavior in the phase transition region is analized

Caracterização do ritmo de atividade/repouso do Mocó (Kerodon Rupestris) em fotoperíodo artificial

Kerodon rupestris (rock cavy, mocó) is an endemic caviidae of Brazilian northeast that inhabits rocky places in the semi arid region. The aim of this study was to characterize the activity/rest rhythm of the rock cavy under 12:12 h LD cycle and continuous light. In the first stage, seven animals were submitted to two light intensities (LD; 250:0 lux and 400:0 lux; 40 days each intensity). In the second stage four males were kept for 40 days in LD (470:<1 lux), for 18 days in LL 470 lux (LL470) and for 23 days in red dim light below 1 lux (LL<1). In the third stage three males were initially kept in LD 12:12 h (450:<1 lux) and after that in LL with gradual increase in light intensity each 21 days (<1 lux LL<1; 10 lux-LL10; 160 lux LL160; 450 lux LL450). In the fourth stage it was analyzed the motor activity of 16 animals in the first 10 days in LD. Motor activity was continuously recorded by passive infrared movement sensors connected to a computer and totaled in 5 min bins. The activity showed circadian and ultradian rhythms and activity peaks at phase transitions. The activity and the rest occurred in the light as well as in the dark phase, with activity mean greater in the light phase for most of the animals. The light intensity influenced the activity/rest rhythm in the first three stages and in the first stage the activity in 400 lux increased in four animals and decreases in two. In the second stage, the tau for 3 animals in LL470 was greater than 24 h; in LL<1 it was greater than 24 h for one and lower for two. In the third stage the tau decreased with the light intensity increase for animal 8. During the first days in the experimental room, the animals did not synchronize to the LD cycle with activity and rest occurring in both phases. The results indicate that the activity/rest rhythm of Kerodon rupestris can be affected by light intensity and that the synchronization to the LD cycle results from entrainment as well as masking probably as a consequence of the action of two or more oscillators with low coupling strength

Estimativa de expoentes críticos em Percolação

In Percolation Theory, functions like the probability that a given site belongs to the infinite cluster, average size of clusters, etc. are described through power laws and critical exponents. This dissertation uses a method called Finite Size Scaling to provide a estimative of those exponents. The dissertation is divided in four parts. The first one briefly presents the main results for Site Percolation Theory for d = 2 dimension. Besides, some important quantities for the determination of the critical exponents and for the phase transistions understanding are defined. The second shows an introduction to the fractal concept, dimension and classification. Concluded the base of our study, in the third part the Scale Theory is mentioned, wich relates critical exponents and the quantities described in Chapter 2. In the last part, through the Finite Size Scaling method, we determine the critical exponents fi and. Based on them, we used the previous Chapter scale relations in order to determine the remaining critical exponents

Frases magnéticas, polaritons magnéticos e modos magnetostáticos em filmes e cristais magnônicos de terras-raras

Conselho Nacional de Desenvolvimento Científico e Tecnológico - CNPq

Frases magnéticas, polaritons magnéticos e modos magnetostáticos em filmes e cristais magnônicos de terras-raras

Conselho Nacional de Desenvolvimento Científico e Tecnológico - CNPq

Estudo da transição de fase da percolação através da entropia da informação

Various physical systems have dynamics that can be modeled by percolation processes. Percolation is used to study issues ranging from fluid diffusion through disordered media to fragmentation of a computer network caused by hacker attacks. A common feature of all of these systems is the presence of two non-coexistent regimes associated to certain properties of the system. For example: the disordered media can allow or not allow the flow of the fluid depending on its porosity. The change from one regime to another characterizes the percolation phase transition. The standard way of analyzing this transition uses the order parameter, a variable related to some characteristic of the system that exhibits zero value in one of the regimes and a nonzero value in the other. The proposal introduced in this thesis is that this phase transition can be investigated without the explicit use of the order parameter, but rather through the Shannon entropy. This entropy is a measure of the uncertainty degree in the information content of a probability distribution. The proposal is evaluated in the context of cluster formation in random graphs, and we apply the method to both classical percolation (Erd¨os- R´enyi) and explosive percolation. It is based in the computation of the entropy contained in the cluster size probability distribution and the results show that the transition critical point relates to the derivatives of the entropy. Furthermore, the difference between the smooth and abrupt aspects of the classical and explosive percolation transitions, respectively, is reinforced by the observation that the entropy has a maximum value in the classical transition critical point, while that correspondence does not occurs during the explosive percolation.

Estudo da transição de fase da percolação através da entropia da informação

Various physical systems have dynamics that can be modeled by percolation processes. Percolation is used to study issues ranging from fluid diffusion through disordered media to fragmentation of a computer network caused by hacker attacks. A common feature of all of these systems is the presence of two non-coexistent regimes associated to certain properties of the system. For example: the disordered media can allow or not allow the flow of the fluid depending on its porosity. The change from one regime to another characterizes the percolation phase transition. The standard way of analyzing this transition uses the order parameter, a variable related to some characteristic of the system that exhibits zero value in one of the regimes and a nonzero value in the other. The proposal introduced in this thesis is that this phase transition can be investigated without the explicit use of the order parameter, but rather through the Shannon entropy. This entropy is a measure of the uncertainty degree in the information content of a probability distribution. The proposal is evaluated in the context of cluster formation in random graphs, and we apply the method to both classical percolation (Erd¨os- R´enyi) and explosive percolation. It is based in the computation of the entropy contained in the cluster size probability distribution and the results show that the transition critical point relates to the derivatives of the entropy. Furthermore, the difference between the smooth and abrupt aspects of the classical and explosive percolation transitions, respectively, is reinforced by the observation that the entropy has a maximum value in the classical transition critical point, while that correspondence does not occurs during the explosive percolation.

Caracterização de compósitos Nb-20%cu obtidos por moagem de alta energia e sinterizados por fase líquida

In this work, was studied the formation of a composite of the refractory metal niobium with copper, through the process of high-energy milling and liquid phase sintering. The HEM can be used to synthesize composite powders with high homogeneity and fine size particle distribution. It may also produce the solid solubility in immiscible systems such as Nb-Cu, or extend the solubility of systems with limited solubility. Therefore, in the immiscible system Cu-Nb, the high-energy milling was successfully used to obtain the composite powder particles. Initially, the formation of composite particles during the HEM and the effect of preparation technique on the microstructure of the material was evaluated. Four loads of Nb and Cu powders containing 20%wt Cu were synthesized by MAE in a planetary type ball mill under different periods of grinding. The influence of grinding time on the metal particles is evaluated during the process by the withdrawal of samples at intermediate times of milling. After compaction under different forces, the samples were sintered in a vacuum furnace. The liquid phase sintering of these samples prepared by HEM produced a homogeneous and fine grained. The composite particles forming the sintered samples are the addition of a hard phase (Nb) with a high melting point, and a ductile phase (Cu) with low melting point and high thermal and electrical conductivities. Based on these properties, the Nb-Cu system is a potential material for many applications, such as electrical contacts, welding electrodes, coils for generating high magnetic fields, heat sinks and microwave absorbers, which are coupled to electronic devices. The characterization techniques used in this study, were laser granulometry, used to evaluate the homogeneity and particle size, and the X-ray diffraction, in the phase identification and to analyze the crystalline structure of the powders during milling. The morphology and dispersion of the phases in the composite powder particles, as well the microstructures of the sintered samples, were observed by scanning electron microscopy (SEM). Subsequently, the sintered samples are evaluated for density and densification. And finally, they were characterized by techniques of measuring the electrical conductivity and microhardness, whose properties are analyzed as a function of the parameters for obtaining the composite

Avaliação da efetividade de estratégias não farmacológicas para o alívio da dor de parturientes na fase ativa do período de dilatação no trabalho de parto

This study was aim to evaluate the effectiveness of strategies non pharmacological for the relief of the intensity of the parturient pain in the phase activates of the dilation period in the labor. Is a clinic rehearse of the type therapeutic intervention before and after" with a quantitative approach, accomplished in the Humanized Unit of Childbirth of the Maternity Januário Cicco School of the Federal University of Rio Grande do Norte, in Natal/RN, whit 130 parturient, being 30 in the pre-test of the strategies and 100 in the application of the strategies non pharmacological combined (breathing exercises, muscular relaxation and lombossacral massage) and isolated (shower bath in a normal temperature). We used the visual analogical scale to evaluate the intensity of the pain of the study parturient before and after" to the application of the strategies in the phases of acceleration, maximum inclination and desaceleration in the phase activates of dilation period in the labor. The principal results showed that the majority of the study parturient was between 20 to 30 years old (60%); with incomplete fundamental teaching (85%); family income until 2 minimum wages (74%); 78% had a companion and these, 44% were the own husband. The oxytocin was administered in the parturient during the phase activates of the labor in 81% of the cases and only 15% these women didn´t reciev anything medication. We verified significant relief (ρ=0.000) of intensity of the pain of the study parturient after application of the strategies non pharmacological combined and isolated. We concluded that the strategies non pharmacological combined and isolated were effective in the relief of the pain of the study parturient in the phase activates de labor