Um modelo do tipo Ginzburg-Landau com interações competitivas entre um termo ferromagnético de curto alcance, e outro antiferromagnético de longo alcance (dipolar), é estudado no âmbito de reproduzir a rica fenomenologia de fases moduladas em filmes finos ferromagnéticos. Esse tipo de material pode apresentar ordens intermediárias as de um sólido e um líquido, e suas transições de fase dependem fortemente dos tipos de excitações geométricas que ele suporta. Dentre os estudos teóricos e numéricos, as simulações apresentadas aqui introduzem esse modelo dipolar contínuo como um bom candidato para estudar as fases complexas desse sistema, se mostrando em acordo com resultados experimentais. / A Ginzburg-Landau model with competitive short-range ferromagnetic interactions and long-range (dipolar) antiferromagnetic interactions is studied on the scope to reproduce the rich phenomenology of modulated phases in ferromagnetic thin films. This kind of material can present intermediate order between a solid and a liquid, and its phase transitions depend strongly on the kinds of geometrical excitations that it supports. Amongst the theoretical and numerical studies, the simulations presented here introduce this continuous dipolar model as a good candidate to study the complex phases of this system, showing good agreement with experimental results.

Neste trabalho estudamos os fenômenos observados em filmes magnéticos ultrafinos com anisotropia perpendicular, onde domínios razoavelmente regulares de faixas dominam o regime de baixas temperaturas a campo nulo. Esses domínios magnéticos de faixas constituem uma realização de fases moduladas presentes em inúmeros sistemas físicos, químicos e biológicos, e são resultados da presença de interaçães competindo em diferentes escalas espaciais. No caso de interesse, a competição entre as interações de troca e dipolar levam à estabilidade de uma estrutura de domínios de faixas que possuem ambas ordens translacional anisotrópica e orientacional, semelhantes às encontradas em filmes de cristais líquidos. Através de um modelo escalar de Landau Ginzburg que captura a formação dos domínios de faixas nos filmes magnéticos ultrafinos com anisotropia perpendicular, estudamos o efeito das flutuações térmicas atuando nas escalas de comprimento introduzidas pela competição entre as interações, que, aliadas à baixa dimensionalidade do problema, estabelecem fases ordenadas de baixa temperatura com ordem de quase longo alcance, onde defeitos topológicos exercem um papel fundamental. Introduzimos uma técnica de simulação de Langevin para o modelo de Landau Ginzburg, através da qual obtivemos resultados de equilíbrio determinando a natureza das fases de baixa temperatura. Confirmamos junto aos resultados experimentais a estabilidade de uma fase esmética, associada à quebra de simetria translacional, em baixas temperaturas. Entre essa fase e a fase isotrópica, encontramos resultados que apontam a estabilidade da fase nemática, associada à quebra de simetria orientacional, que é prevista teoricamente mas não foi ainda observada experimentalmente. A simulação de Langevin introduzida aqui se mostrou capaz de reproduzir fenômenos como a dependência da largura das faixas com a temperatura e o perfil das paredes de domínio, assim como flutuações térmicas e defeitos topológicos das faixas, muito próximos aos observados experimentalmente. / ln this work we study the phenomena observed in ultrathin magnetic films with perpendicular anisotropy, in which stripe domains with reasonable regularity dominate the low temperature regime under zero external applied field. These stripe magnetic domains are a manifestation of modulated phases present in a large number of physical, chemical and biological systems, and are the result of the presence of interactions competing in different spacial scales. In the case we are interested in, the competition between the exchange and dipolar interactions stabilize a stripe domain structure that have both translacional anisotropic and orientacional orders, similar to those found in liquid crystal films. Through a scalar Landau Ginzburg model that captures the stripe domain formation in ultrathin magnetic films with perpendicular anisotropy, we study the effect of thermal fluctuations acting in the length scales introduced by the competition of the interactions, that, together with the low dimensionality of the problem, estabilize low temperature ordered phases with quasi-long-range order, where topological defects play a fundamental role. We introduce here a Langevin simulation technique to the Landau Ginzburg model, through which we obtain equilibrium results determining the nature of the low temperature phases. We confirm, in agreement with experimental observations, the stability of a smectic phase, related to the break of translational symmetry. Between this phase and the isotropic phase, we find results that point to the stability of the nematic phase, related to the break of orientational symmetry, that is predicted theoretically but was not observed experimentally. The Langevin simulation introduced here is capable to reproduce some of the phenomena, like the stripe domain width temperature dependence and the domain wall profile, as well as stripe thermal fluctuations and topological defects, very close to those observed experimentally.

Submitted by Daniella Sodre (daniella.sodre@ufpe.br) on 2015-04-08T12:25:24Z No. of bitstreams: 2 DISSERTAÇÃO Everton Oliveira Lima.pdf: 8102992 bytes, checksum: 85a1c5fc400e285661bdec28582bdea1 (MD5) license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) / Made available in DSpace on 2015-04-08T12:25:24Z (GMT). No. of bitstreams: 2 DISSERTAÇÃO Everton Oliveira Lima.pdf: 8102992 bytes, checksum: 85a1c5fc400e285661bdec28582bdea1 (MD5) license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) Previous issue date: 2014-06-10 / CAPES / Neste trabalho investigamos as propriedades estruturais de sistemas tridimensionais de coloides con nados por uma armadilha parabólica e interagindo isotropicamente. O potencial de interação utilizado consiste em uma combinação de uma aproximação do poço quadrado com um potencial em forma de barreira gaussiana. Desta forma, a medida que a distância entre as partículas aumenta, a interação entre as mesmas passa de repulsiva para atrativa e novamente repulsiva. Utilizamos a equação de Langevin sem inércia para modelar o movimento das partículas coloidais. A m de obter as con gurações estáveis do sistema a dinâmica de Langevin foi empregada de forma que o sistema é iniciado a uma temperatura su cientemente alta e resfriado lentamente até uma temperatura próxima de zero. Demonstramos que os coloides podem se auto-organizar em diversas estruturas complexas, tais quais, buracos, franjas, túneis, bordas circulares e até mesmo cordas. Revelamos também que, para alguns valores dos parâmetros do potencial de interação, o sistema pode se auto-organizar em redes regulares, tais quais, as redes cúbicas de corpo centrado e tetragonais de corpo centrado.

Submitted by Divisão de Documentação/BC Biblioteca Central (ddbc@ufam.edu.br) on 2018-02-07T15:44:28Z No. of bitstreams: 2 license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Dissertação_Deuticilam G. Maia Júnior.pdf: 1995808 bytes, checksum: d79824b9d4ba0af370c62ac5b5cc8665 (MD5) / Approved for entry into archive by Divisão de Documentação/BC Biblioteca Central (ddbc@ufam.edu.br) on 2018-02-07T15:44:54Z (GMT) No. of bitstreams: 2 license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Dissertação_Deuticilam G. Maia Júnior.pdf: 1995808 bytes, checksum: d79824b9d4ba0af370c62ac5b5cc8665 (MD5) / Approved for entry into archive by Divisão de Documentação/BC Biblioteca Central (ddbc@ufam.edu.br) on 2018-02-07T15:45:07Z (GMT) No. of bitstreams: 2 license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Dissertação_Deuticilam G. Maia Júnior.pdf: 1995808 bytes, checksum: d79824b9d4ba0af370c62ac5b5cc8665 (MD5) / Made available in DSpace on 2018-02-07T15:45:07Z (GMT). No. of bitstreams: 2 license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Dissertação_Deuticilam G. Maia Júnior.pdf: 1995808 bytes, checksum: d79824b9d4ba0af370c62ac5b5cc8665 (MD5) Previous issue date: 2017-11-30 / CNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico / This work focuses on treelike generalized scale-free polymer network, which depend on a parameter that controlls the connectivity of the nodes, , and two modularity parameters: the minimum allowed degree, Kc, and the maximum allowed degree, Nc. It was monitored the influence of these parameters on the statical properties of the networks and on the polymer relaxation dynamics. The latter was solved in the framework of generalized Gaussian structures by computing the eigenvalue spectrum of the connectivity (or Laplacian) matrix. It focus on physical quantities such as average monomer displacement under external forces, radius of gyration and the mechacical relaxation moduli (storage and loss mudulus). Depending on the values of network’s parameters we were able to switch between distinct hyperbranched structures: networks with more linearlike segments or with a predominant star or dendrimerlike topology. We observe a stronger influence on Kc than on Nc. In the intermediate time (frequency) domain, all physical quantities show scaling for polymer networks with = 2.5 and we prove additionally that for networks with 2.5 new regions with constant slopes emerge by a proper choice of Kc. / Este trabalho concentra-se em redes poliméricas livres de escala generalizadas "tipoárvore", que dependem de um parâmetro que controla a conectividade dos nós, , e dois parâmetros de modularidade: o mínimo grau permitido Kc, e o máximo grau permitido Nc. Foi monitorado a influência desses parâmetros sobre as propriedades estáticas das redes e sobre a dinâmica de relaxamento dos polímeros. O último foi resolvido usando o conceito de estruturas Gaussianas generalizadas computando o espectro de autovalores da matriz de conectividade (ou Laplaciano). Concentra-se em quantidades físicas tais como deslocamento médio de monômeros sob forças externas, raio de giração e módulos de relaxamento mecânico (módulos de armazenamento e perda). Dependendo dos valores dos parâmetros das redes foi possível alternar entre estruturas hiperramificadas distintas: redes com mais segmentos "tipo-linear" ou com uma "estrela" predominante ou topologia "tipo-dendrímero". Foi observado uma influência mais forte em Kc do que em Nc. No domínio de tempo (frequência) intermediário, todas as quantidades físicas mostram escala para redes poliméricas com = 2.5 e provou-se adicionalmente que para redes com 2.5 novas regiões com declives constantes emergem por uma escolha apropriada de Kc.

The ratchet effect can be exploited in many types of research, yet few researchers pay attention to it. In this thesis, I investigate two examples of such effects in microfluidic devices, under the guidance of computational simulations. The first chapter provides a brief introduction to ratchet effects, electrophoresis, and swimming cells, topics directly related to the following chapters. The second chapter of this thesis studies the separation of charged spherical particles in various microfluidic devices. My work shows how to manipulate those particles with modified temporal asymmetric electric potentials. The rectification of randomly swimming bacteria in microfluidic devices has been extensively studied. However, there have been few attempts to optimize such rectification devices. Mapping such motion onto a lattice Monte Carlo model may suggest some new mathematical methods, which might be useful for optimizing the similar systems. Such a mapping process is introduced in chapter four.

Dans son livre Surprendre les voix Andre Belleau fait remarquer, entre autres, que les codes socio-culturels et les codes litteraires du Quebec et ceux de l a France s'amalgament dans la litterature quebecoise. Il affirme que la litterature quebecoise a emprunte les codes de la France et que cet acte a "doublement marginalise" cette litterature . Cette idee sert de base a ma these ou je considere deux romans: L'Etranqer d’Albert Camus et Poussiere sur la ville d'Andre Langevin. Commencant par une etude des protagonistes pour elucider comment Langevin a pu bien manipuler les codes socio-culturels et les codes litteraires des deux pays pour passer son message; je ferais ensuite une discussion des femmes fatales des romans de Langevin et Camus dans le deuxieme chapitre. Au coeur de cette discussion sont la couleur, la sensualite et la violence que les femmes fatales exhibent pour faire ce qu'elles desirent. Dans le dernier chapitre j'analyse les elements qui ont une influence sur les protagonistes. Le temps, la religion et le regard de la collectivite ont une puissance certaine a influer sur les agissements des protagonistes. En faisant cette etude j'affirme que Langevin a pu emprunter les codes sociaux et litteraires de Camus, comme Camus a pu les emprunter a d'autres. Les enonces et meme les mots qui nous parviennent ainsi ne sont pas inertes, neutres, sans attaches, comme le dit Bakhtine. Au contraire, ces enonces sont deja des fragments de discours existants, ils sont proprement des enonces de discours (Belleau 167). Dans cette these je demontrerai que justement, il existe plusieurs singularites entre Langevin et Camus et que c'est une chose qui suit la nature des choses. / Arts, Faculty of / French, Hispanic, and Italian Studies, Department of / Graduate

Avec les progrès de la technologie, il est désormais devenu possible de manipuler des faibles quantités d’objets nanométriques, voire des objets uniques. Observer une réaction chimique de quelques centaines de molécules sur des catalyseurs, étudier le travail exercé lors du déploiement d’un brin d’ADN unique ou mesurer la chaleur émise par un unique électron dans un circuit électrique constituent aujourd’hui des actes expérimentaux courants. Cependant, à cette échelle, le caractère aléatoire des processus physiques étudiés se fait plus fortement ressentir. Développer une théorie thermodynamique à ces échelles nécessite d'y inclure de manière exhaustive ces fluctuations.Ces préoccupations et les résultats expérimentaux et théoriques associés ont mené à l’émergence de ce que l’on appelle aujourd’hui la thermodynamique stochastique. Cette thèse se propose de développer une approche originale à la thermodynamique stochastique, basée sur une extension de l'hypothèse d'équilibre local aux variables fluctuantes d'un système. Cette théorie offre de nouvelles définitions des grandeurs thermodynamiques stochastiques, dont l'évolution est donnée par des équations différentielles stochastiques (EDS).Nous avons choisi d'étudier cette théorie à travers des modèles simplifiés de phénomènes physiques variés; transport (diffusif) de chaleur ou de masse, transport couplé (comme la thermodiffusion), ainsi que des modèles de réactions chimiques linéaires et non-linéaires. A travers ces exemples, nous avons proposé des versions stochastiques de plusieurs grandeurs thermodynamiques d'intérêt. Une large part de cette thèse est dévolue à l'entropie et aux différents termes apparaissant dans son bilan (flux d'entropie, production d'entropie ou dissipation). D'autres exemples incluent l'énergie libre d'Helmholtz, la production d'entropie d'excès, ou encore les efficacités thermodynamiques dans le transport couplé.A l'aide de cette théorie, nous avons étudié les propriétés statistiques de ces différentes grandeurs, et plus particulièrement l'effet des contraintes thermodynamiques ainsi que les propriétés cinétiques du modèle sur celles-là. Dans un premier temps, nous montrons comment l'état thermodynamique d'un système (à l' équilibre ou hors d'équilibre) contraint la forme de la distribution de la production d'entropie. Au-delà de la production d'entropie, cette contrainte apparaît également pour d'autres quantités, comme l'énergie libre d'Helmholtz ou la production d'entropie d'excès. Nous montrons ensuite comment des paramètres de contrôle extérieurs peuvent induire des bimodalités dans les distributions d'efficacités stochastiques.Les non-linéarités de la cinétique peuvent également se répercuter sur la thermodynamique stochastique. En utilisant un modèle non-linéaire de réaction chimique, le modèle de Schlögl, nous avons calculé la dissipation moyenne, non-nulle, engendrée par les fluctuations du système. Les non-linéarités offrent aussi la possibilité de produire des bifurcations dans le système. Les différentes propriétés statistiques (moments et distributions) de la production d'entropie ont été étudiées à différents points avant, pendant et après la bifurcation dans le modèle de Schlögl.Ces nombreuses propriétés ont été étudiées via des développements analytiques supportés par des simulations numériques des EDS du système. Nous avons ainsi pu montrer la fine connexion existant entre les équations cinétiques du système, les contraintes thermodynamiques et les propriétés statistiques des fluctuations de différentes grandeurs thermodynamiques stochastiques. / Over the last decades, nanotechnology has experienced great steps forwards, opening new ways to manipulate micro- and nanosystems. These advances motivated the development of a thermodynamic theory for such systems, taking fully into account the unavoidable fluctuations appearing at that scale. This ultimately leads to an ensemble of experimental and theoretical results forming the emergent field of stochastic thermodynamics. In this thesis, we propose an original theoretical approach to stochastic thermodynamics, based on the extension of the local equilibrium hypothesis (LEH) to fluctuating variables in small systems. The approach provides new definitions of stochastic thermodynamic quantities, whose evolution is given by stochastic differential equations (SDEs).We applied this new formalism to a diverse range of systems: heat or mass diffusive transport, coupled transport phenomena (thermodiffusion), and linear or non-linear chemical systems. In each model, we used our theory to define key stochastic thermodynamic quantities. A great emphasis has been put on entropy and the different contributions to its evolution (entropy flux and entropy production) throughout this thesis. Other examples include also the stochastic Helmholtz energy, stochastic excess entropy production and stochastic efficiencies in coupled transport. We investigated how the statistical properties of these quantities are affected by external thermodynamic constraints and by the kinetics of the system. We first studied how the thermodynamic state of the system (equilibrium \textit{vs.} non-equilibrium) strongly impacts the distribution of entropy production. We then extended those findings to other related quantities, such as the Helmholtz free energy and excess entropy production. We also analysed how some external control parameters could lead to bimodality in stochastic efficiencies distributions.In addition, non-linearities affect stochastic thermodynamics quantities in different ways. Using the example of the Schlögl chemical model, we computed the average dissipation of the fluctuations in a non-linear system. Such systems can also undergo a bifurcation, and we studied how the moments and the distribution of entropy production change while crossing the critical point.All these properties were investigated with theoretical analyses and supported by numerical simulations of the SDEs describing the system. It allows us to show that properties of the evolution equations and external constraints could strongly reflect in the statistical properties of stochastic thermodynamic quantities. / Doctorat en Sciences / info:eu-repo/semantics/nonPublished

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The Langevin equation is a stochastic differential equation frequently used in molecular dynamics for simulating systems with a constant temperature. Recent developments have given rise to wide uses of Langevin dynamics at different levels of spatial resolution, which necessitate time step and friction parameter choices outside of the range for which many existing temporal discretization methods were originally developed. We first study the GJ--F, BAOAB and BBK numerical algorithms, originally developed for atomistic simulations, on a coarse-grained polymer melt, paying close attention to the large time step regime. The results of this study then inspire our search for new algorithms and lead to a general class of velocity Verlet-based time-stepping schemes designed to perform well for all parameter regions, by ensuring that they faithfully reproduce statistical quantities for the case of a free particle and harmonic oscillator. This family of methods depends on the choice of a single free parameter function and we explore some of the methods defined for certain choices of this parameter on realistic coarse-grained and atomistic molecular systems relevant in material and bio-molecular science. In addition, we provide an equivalent splitting formulation of this one-parameter family which allows for enhanced insight into the hidden time scaling induced by the choice of the free parameter in the Hamiltonian and stochastic time scales. / Mathematics