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Estudo de transições de fase em sistemas com simetria \"up-down\" e estados absorventes / Phase transition study in a system with up-down symmetry and symmetrical absorbing statesRodrigues, Áttila Leães 10 March 2014 (has links)
Neste trabalho estudamos um modelo estocástico com simetria Ising e dois estados absorventes em três dimensões com uma rede cúbica e em duas dimensões através de uma rede triangular. O estudo levou em conta cálculos de aproximação de campo médio e simulações de Monte Carlo. Os resultados mostraram que o modelo tem transição de segunda ordem de uma fase paramagnética para uma fase ferromagnética, uma transição da fase ferromagnética para uma fase absorvente, também de segunda ordem, e ainda uma transição de primeira ordem da fase paramagnética para a fase absorvente. No espaço de parâmetros as três linhas de transição se encontram no diagrama de fases em um ponto onde o modelo se comporta como o modelo do votante. / In this work we studied a stochastic model with ising symmetry and two simmetric absorbing configurations in a three-dimensional cubic lattice and in two dimensions using a triangular lattice. The study took into account simple mean-field approximations and Monte Carlo simulations. The results showed that the model has a second-order transition from a paramagnetic phase to a ferromagnetic phase and second-order transition from ferromagnetic phase to the absorbing one. A first-order phase transition from the paramagnetic phase to the absorbing phase is observed too. In the phase diagram the two second-order transition lines aproaches to the point where the model behaves like the voter model.
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Aspectos de Teoria de Campos e Mecânica Estatística / Aspects of Field Theory and Statistical MechanicsGomes, Pedro Rogério Sergi 15 February 2013 (has links)
A teoria quântica de campos pode ser vista como um conjunto de métodos e idéias que além de sua importância no estudo das partículas elementares, tem sido amplamente usada em outras áreas. Em especial, ela constitui uma ferramenta indispensável no estudo moderno de transições de fases e fenômenos críticos. A origem dessa constante relação entre a teoria de campos e a matéria condensada deve-se ao fato que, apesar de suas diferenças superficiais, ambas tratam de problemas envolvendo um grande número de graus de liberdade. Assim, não é surpreendente que as mesmas técnicas possam ser úteis nos dois campos. Este trabalho trata de problemas nessas duas áreas e está essencialmente divido em duas partes. A primeira parte é dedicada ao estudo de teorias de campos com uma anisotropia entre o espaço e o tempo, o que implica uma quebra da simetria de Lorentz. Uma das motivações para considerar esse tipo de teoria vem justamente do estudo de transições de fase em sistemas da matéria condensada. Análises do grupo de renormalização com ênfase na possibilidade de restauração da simetria de Lorentz e também uma discussão sobre identidades de Ward são realizadas. Na segunda parte, a atenção é voltada para a mecânica estatística mas com uma abordagem típica da teoria de campos, em especial, voltada para o estudo de transições de fase clássicas e quânticas a partir da versão quantizada do modelo esférico e de sua extensão supersimétrica. / Quantum field theory can be seen as a set of methods and ideas that, besides its importance in the study of the elementary particles, has been widely used in other areas. In particular, it constitutes an indispensable framework in the modern approach to phase transitions and critical phenomena. The origin of this constant relationship between field theory and condensed matter is due to the fact that despite their superficial differences, both deal with problems involving a large number of degrees of freedom. Thus, it is not surprising that the same techniques may be useful in both fields. This work addresses problems in these two areas and it is essentially divided in two parts. The first part is devoted to the study of field theories with an anisotropy between space and time, which implies a breaking of the Lorentz symmetry. One of the moti- vations for considering this kind of theory is precisely the study of phase transitions in condensed matter systems. Renormalization group analysis with emphasis on the possi- bility of restoration of the Lorentz symmetry and also a discussion about Ward identities are performed. In the second part, the attention is centered on statistical mechanics but with an approach typical of field theory, in particular, focused to the study of classical and quantum phase transitions from the quantized version of the spherical model and its supersymmetric extension.
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Zeros de Fisher e aspectos críticos do modelo de Ising dipolar / Fisher\'s zeros and critical aspects of the dipolar Ising modelFonseca, Jacyana Saraiva Marthes 06 June 2011 (has links)
Estudamos o comportamento crítico do modelo de Ising com interação dipolar, em redes bidimensionais regulares. Este modelo apresenta um cenário fenomenologicamente rico devido ao efeito de frustração causado pela competição entre as interações de troca do Ising puro e a interação dipolar. A criticalidade do modelo foi estudada a partir das relações de escala de tamanho finito para os zeros da função de partição no plano complexo da temperatura. Esta abordagem nunca foi utilizada no estudo do modelo em questão. Nosso estudo se baseia em simulações de Monte Carlo usando o algoritmo multicanônico. O objetivo deste trabalho é obter a temperatura crítica em função do acoplamento (razão entre as intensidades dos acoplamentos ferromagnético e dipolar) e construir uma parte do diagrama de fase do modelo. Diferentes partes do diagrama de fase ainda não apresentam indicações conclusivas a respeito da ordem das linhas de transição. Em particular, há evidências na literatura de um ponto tricrítico para no intervalo [0.90,1.00], mas sua localização precisa não é conhecida. Nossas simulações indicam que o ponto tricrítico não se localiza no intervalo acima. Nossos resultados mostraram que, para [0.89,1.10], a fase do tipo faixas com h=1 passa para a fase tetragonal através de uma transição de segunda ordem. A análise de FSS para os zeros da função de partição na variável temperatura, apresenta, para =1.20, uma transição de fase de segunda ordem e para =1.30, uma transição de fase de primeira ordem. Dessa forma, o ponto tricrítico ocorre somente entre =1.20 e 1.30. Realizamos um estudo complementar baseado na abordagem microcanônica e observamos duas transições de fase de segunda ordem para =1.20 e duas transições de fase de primeira ordem para =1.30, que indica a presença da fase nemática intermediária. / We study the critical behavior of the dipolar Ising model on two-dimensional regular lattices. This model presents a phenomenologically rich scenario due to the effect of frustration caused by the competition between the pure Ising interaction and the dipolar one. To study the criticality of this model we apply finite size scaling relations for the partition function zeros in the complex temperature plane. The partition function zeros analysis has never been used before to study such model with long-range interactions. Our study relies on Monte Carlo simulations using the multicanonical algorithm. Our goal is to obtain the critical temperature as a function of the coupling (the ratio between the ferromagnetic and dipolar couplings) to construct a part of the phase diagram. Different parts of the phase diagram do not present a conclusive results about the order of the phase transition lines.In particular, there is evidence of a tricritical point for [0.90,1.00], but its precise location is unknown. Our simulations indicate that the tricritical point is not located in the above range. Our FSS analysis show that for =1.20 the striped-tetragonal transition is a second-order phase transition and for =1.30 it is a first-order one. Thus, the tricritical point must occur between =1.2 and =1.3. We have used a microcanonical approach to study the criticality of this model too. This approach indicates two second-order phase transitions for =1.20 and two first-order phase transitions for =1.30. Therefore, it presents evidences for the presence of an intermediate nematic phase.
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Algoritmos de Monte Carlo generalizados e criticalidade no modelo de Ising dipolar e em proteínas descritas por um modelo mínimo / Generalized Monte Carlo algorithms and criticality in the dipolar Ising model and in proteins described by a minimal modelRizzi, Leandro Gutierrez 25 February 2013 (has links)
Sistemas complexos que apresentam interações competitivas são ubíquos na natureza. Obter descrições adequadas das propriedades termodinâmicas desses sistemas é um desafio para o entendimento de uma série de processos químicos e físicos. Soluções analíticas em termos da Mecânica Estatística são extremamente difíceis de serem obtidas para esses sistemas. Isso faz com que o uso de simulações numéricas seja, na maioria dos casos, a única abordagem possível. Nesta Tese avaliamos o desempenho de duas classes de algoritmos de Monte Carlo generalizados empregados na determinação da natureza das transições de fase em dois sistemas complexos: o modelo de Ising dipolar bidimensional (2D) e um modelo mínimo para descrever proteínas. Na primeira classe, a qual representa os algoritmos seriais, incluimos os algoritmos multicanônico (MUCA) e de amostragem entrópica (ES), também conhecidos como algoritmos de amostragem uniforme. Na segunda classe, que diz respeito aos algoritmos paralelizáveis, incluimos o algoritmo canônico de Metropolis associado ao método de troca entre réplicas (REM). Para ambas as classes introduzimos contribuições metodológicas visando o aumento da eficiência na obtenção das propriedades canônicas e microcanônicas dos modelos. No caso dos algoritmos de amostragem uniforme, caracterizamos protocolos baseados na contagem de viagens de ida e volta que otimizam a determinação dos pesos de amostragem, e dessa maneira, aumentam a eficiência na obtenção da densidades de estados. Com relação ao uso de simulações canônicas implementadas com o REM, introduzimos o método ST-WHAM-MUCA como uma nova maneira de calcular a entropia microcanônica, associando o inverso da temperatura estatística obtida via ST-WHAM às equações de recorrência do algoritmo MUCA. A partir de simulações canônicas para os dois modelos estudados, mostramos que a termoestatística microcanônica obtida via ST-WHAM é equivalente àquela obtida pelo algoritmo MUCA, mesmo para a região onde ocorrem transições de fase de primeira ordem e uma não concavidade é observada na entropia microcanônica. Além dos estudos sobre a metodologia empregada na implementação dos algoritmos, realizamos contribuições para o entendimento da criticalidade nos modelos. Em particular, determinamos os aspectos críticos no modelo de Ising dipolar 2D para dois cenários distintos. Para o Cenário I, onde apenas uma transição entre as fases de faixas e tetragonal é observada, empregamos o algoritmo MUCA aliado à metodologia de obtenção dos zeros complexos da função de partição canônica. Nesse caso, foi possível determinar a natureza contínua da transição de fase faixas tetragonal, excluindo um possível ponto trícritico, como sugerido na literatura para a região h=1 do diagrama de fases. Para o Cenário II, o qual descreve uma região que apresenta duas transições de fase em decorrência do aparecimento de uma fase nemática entre as fases de faixas e tetragonal, mostramos que o algoritmo MUCA apresenta problemas mesmo para redes pequenas. Utilizando o algoritmo de Metropolis associado ao REM, realizamos simulações para uma rede de tamanho L=72. A partir da análise via ST-WHAM dessas simulações, obtivemos estimativas para o inverso da temperatura microcanônica, as quais sugerem que ambas transições de fase, faixas-nemática e nemática-tetragonal, sejam de primeira ordem, excluindo a possibilidade de uma transição de Kosterlitz-Thouless (KT). Também realizamos simulações utilizando o algoritmo de Metropolis associado ao REM para estudar a criticalidade em proteínas descritas por um modelo mínimo. Nesse estudo caracterizamos a termoestatística microcanônica das transições de enovelamento de quatro cadeias polipeptídicas com conhecida propensidade à formação de agregados. Nossos resultados sugerem que a ausência de barreiras na energia livre favorece a presença de conformações parcialmente desenoveladas, o que facilitaria a agregação das proteínas. Por fim, introduzimos o raio de giração hidrofóbico como parâmetro de ordem para a transição de enovelamento. Além de fornecer resultados condizentes com a descrição microcanônica, essa quantidade pode ser utilizada mesmo que não existam informações sobre o estado nativo. / Complex systems which present competitive interactions are ubiquitous in nature. Obtaining adequate descriptions of the thermodynamic properties of these systems is a major challenge to understand many chemical and physical processes. Analytical solutions in terms of Statistiscal Mechanics are extremely hard to obtain for these systems. Thus, in most cases numerical simulations become the only possible approach. In this Thesis we evaluate the performance of two categories of generalized Monte Carlo algorithms employed to determine the nature of phase transitions in two complex systems: the two-dimensional (2D) dipolar Ising model and a minimal model to describe proteins. In the first category, which represents serial algorithms, we include the multicanonical (MUCA) and entropic sampling (ES) algorithms, which are known as flat histogram algorithms. In the second category, which concerns parallelizable algorithms, we include the Metropolis algorithm associated with replica exchange method (REM). For both categories we introduce methodological contributions aiming the increase of efficiency in obtaining the canonical and microcanonical properties of the models. In case of flat histogram algorithms, we characterized protocols based on round trip counting to optimize the determination of the sampling weights, and therefore increasing the efficiency in obtaining the density of states. Regarding the use of canonical simulations implemented with REM, we introduce ST-WHAM-MUCA as a new method to evaluate the microcanonical entropy, associating the inverse of the statistical temperature obtained from ST-WHAM with the recursions equations of MUCA algorithm. From canonical simulations for both models, we show that the microcanonical thermostatistics obtained via ST-WHAM is equivalent to that obtained by MUCA algorithm, even for a region where a first order phase transition takes place and a non concavity is observed in the microcanonical entropy. In addition to the studies about the methodology employed in implementation of the algorithms, we present the contributions we make to understand the criticality in the models. In particular, we determined the critical aspects of the 2D dipolar Ising model for two different scenarios. For Scenario I, where only one transition is between the stripe and tetragonal phases is observed, we use MUCA algorithm associated with the analysis of the complex zeros from the canonical partition function. In this case, it was possible to determine the continuous character of the stripe-tetragonal phase transition, excluding the existente of a tricritical point, as suggested in the literature for the h=1 region in the phase diagram. For Scenario II, which describe a region that presents two phase transitions due to the appearance of a nematic phase between the stripe and tetragonal phases, we show that the MUCA algorithm present problems even for small lattices. Using the canonical Metropolis algorithm with REM, we run simulations for a lattice with size L=72. From ST-WHAM analysis of these simulations, we obtained estimates for the microcanonical inverse temperature, which suggests that both phase transitions, stripe-nematic and nematic tetragonal, are first order, excluding the possibility of a Kosterlitz-Thouless (KT) transition. We also performed simulations using the canonical Metropolis algorithm associated with the REM to study the criticality in proteins described by a minimal model. In this study we characterized the microcanonical thermostatistics of the folding transitions of four polypeptide chains with known propensity to form aggregates. Our results suggest that the absence of a free-energy barrier favors the presence of partial unfolded conformations, which could facilitate the aggregation of the proteins. Finally, we introduce the hydrophobic radius of gyration as an order parameter for the folding transition. In addition to provide consistent results with the microcanonical description, this quantity can be used even if there is no information about the native state.
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Um Estudo do Método de Monte Carlo de Campo Médio / A study of the method of Monte-Carlo mean fieldHenriques, Eduardo Fontes 18 December 1992 (has links)
Utilizamos o método de Monte-Carlo de campo médio, proposto por Netz e Berker, para estudar o comportamento termodinâmico dos modelos de Ising e de Blume-Capel numa rede quadrada. Esse método mistura conceitos de amostragem aleatória (Monte Carlo) com equações de campo médio usual. Seus autores afirmam que o método pode permitir representações de diagramas de fase com amostragens muito menores do que as usadas nas simulações de Monte Carlo convencionais e com a eliminação de certas consequências indesejáveis da aplicação das equações de consistência de campo médio. Entretanto, não observamos, pelo menos nos modelos que foram estudados, uma tendência clara de redução de amostragens (número de passos de Monte Carlo) em relação a simulações computacionais pelos métodos conhecidos. Além disso, os nossos cálculos apontam na direção de uma grande semelhança com os resultados usuais de uma aproximação de Bethe-Peierls. Esses problemas devem ser somados ao fato de não haver uma boa explicação para o mecanismo do método de Netz e Berker, dada a dificuldade de estudar a dinâmica em que ele se baseia. / We have used the method of Monte Carlo Mean Field, recently proposed by Netz and Berker, to study the thermodynamic behavior of the Ising and Blume-Capel models on square lattices. This method merges concepts of stochastic sampling (Monte Carlo) with the usual mean-field equations. Their authors claim that the method permits representations of phase diagrams with much less samplings than those used in conventional Monte Carlo simulations, eliminating also certain undesirable consequences of the application of the mean - field consistency equations. However, we haven\'t observed, at least in the models we have studied, a clear tendency of a reduction of the samplings (number of Monte Carlo steps) compared with computational simulations by other known methods. Also, our calculations point to great resemblances with usual results given by Bethe-Peierls approximations. To these problems, we must add the fact that there is no good explanation for the machinery of Netz and Berker\'s method, given the difficulty of studying the stochastic dynamics on wich is based.
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In-situ transmission electron microscopy on high-temperature phase transitions of Ge-Sb-Te alloysBerlin, Katja 08 June 2018 (has links)
Das Hochtemperaturverhalten beeinflusst viele verschiedene Prozesse von der Materialherstellung bis hin zur technologischen Anwendung. In-situ Transmissionselektronenmikroskopie (TEM) bietet die Möglichkeit, die atomaren Prozesse während struktureller Phasenübergänge direkt und in Realzeit zu beobachten. In dieser Arbeit wurde in-situ TEM angewendet, um die Reversibilität des Schmelz- und Kristallisationsprozesses, sowie das anisotropen Sublimationsverhaltens von Ge-Sb-Te (GST) Dünnschichten zu untersuchen. Die gezielte Probenpräparation für die erfolgreiche Beobachtung der Hochtemperatur-Phasenübergänge wird hervorgehoben. Die notwendige Einkapselung für die Beobachtung der Flüssigphase unter Vakuumbedingungen und die erforderliche sauberer Oberfläche für den Sublimationsprozess werden detailliert beschrieben. Außerdem wird die Elektronenenergieverlustspektroskopie eingesetzt um die lokale chemische Zusammensetzung vor und nach den Übergängen zu bestimmen. Die Untersuchung der Grenzflächenstruktur und Dynamik sowohl beim Phasenübergang fest-flüssig als auch flüssig-fest zeigt Unterschiede zwischen den beiden Vorgängen. Die trigonale Phase von GST weist beim Schmelzen eine teilweise geordnete Übergangszone an der fest-flüssig-Grenzfläche auf, während ein solcher Zwischenzustand bei der Erstarrung nicht entsteht. Außerdem läuft der Schmelzvorgang zeitlich linear ab, während die Kristallisation durch eine Wurzelabhängigkeit von der Zeit mit überlagerter Start-Stopp-Bewegung beschrieben werden kann. Der Einfluss der Substrat-Grenzfläche wird diskutiert und die Oberflächenenergie von GST bestimmt. Die anisotrope Dynamik führt beim Phasenübergang fest-gasförmig der kubischen Phase von GST zur Ausbildung stabiler {111} Facetten. Dies erfolgt über die Bildung von Kinken und Stufen auf stabilen Terrassen. Die Keimbildungsrate und die bevorzugten Keimbildungsorte der Kinken wurden identifiziert und stimmen mit den Voraussagen des Terrassen-Stufen-Kinken Modells überein. / High-temperature behavior influence many different processes ranging from material processing to device applications. In-situ transmission electron microscopy (TEM) provides the means for direct observation of atomic processes during structural phase transitions in real time. In this thesis, in-situ TEM is applied to investigate the reversibility of the melting and solidification processes as well as the anisotropic sublimation behavior of Ge-Sb-Te (GST) thin films. The purposeful sample preparation for the successful observation of the high-temperature phase transitions is emphasized. The required encapsulation for the observation of the liquid phase inside the vacuum conditions and the necessary clean surface for sublimation process are discussed in detail. Additionally electron energy-loss spectroscopy in the TEM is used to determine the local chemical composition before and after the phase transitions. The analysis of the interface structure and dynamic during the solid-to-liquid as well as the liquid-to-solid phase transition shows differences between both processes. The trigonal phase of GST exhibits a partially ordered transition zone at the solid-liquid interface during melting while such an intermediate state does not form during solidification. Additionally the melting process proceeds with linear dependence on time, whereas crystallization can be described as having a square-root time-dependency featuring a superimposed start-stop motion. The influence of the interface is addressed and the surface energies of GST are determined. The anisotropic dynamic of the solid-to-gas phase transition of the cubic GST phase leads to the formation of stable {111} facets. This happens via kink and step nucleation on stable terraces. The nucleation rates and the preferred kink nucleation sites are identified and are in accordance with the predictions of terrace-step-kink model.
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Transitions de phases quantiques dans le composé quasi-1D antiferromagnétique de type Ising BaCo2V2O8 / Quantum phase transitions in the quasi-1D Ising-like antiferromagnet BaCo2V2O8Faure, Quentin 29 November 2018 (has links)
Ce manuscrit présente l’étude de transitions de phase quantiques dans l’oxyde BaCo2V2O8, un système antiferromagnétique quasi-unidimensionnel constitué de chaînes d’ions cobalt portant un spin effectif S = 1/2 caractérisé par une forte anisotropie de type Ising. Lors de ce travail, nous avons étudié les propriétés statiques et dynamiques de BaCo2V2O8 sous l’effet de différents paramètres physiques.Notre première étude a porté sur l’effet d’un champ magnétique transverse, i.e. appliqué perpendiculairement à l’axe Ising. Il a été proposé que lors de l’application d’un tel champ, un champ magnétique alterné effectif est induit perpendiculairement à l’axe d’anisotropie et au champ uniforme appliqué. La comparaison d'expériences de diffusion (élastique et inélastique) de neutrons et de calculs numériques nous a permis de montrer que ce champ alterné entre en compétition avec l’anisotropie. Ceci aboutit à une transition de phase originale, dite topologique, que l'on peut modéliser par une théorie quantique des champs nommée « modèle de double sine-Gordon » qui décrit la compétition entre deux excitations topologiques duales. Nous avons pu montrer que BaCo2V2O8 sous champ magnétique transverse était la première réalisation d'une telle théorie.La seconde étude était consacrée à BaCo2V2O8 sous champ magnétique longitudinal, i.e. un champ appliqué parallèlement à l’axe Ising. La dynamique de spins a été sondée grâce à la diffusion inélastique de neutrons et nous avons montré qu’au-dessus d’un champ critique de 4 T, celle-ci semble en accord avec le spectre des fluctuations de spin attendu pour un liquide de Tomonaga Luttinger (TLL). De plus, les calculs numériques ont confirmé que, du fait de l’anisotropie de type Ising dans ce système, la majorité du poids spectral du spectre en énergie est porté par les fluctuations de spins de type longitudinales. Ce résultat est la signature d'un comportement quantique sans analogue classique avec des fluctuations de basses énergies essentiellement longitudinales pilotant la physique du système. Enfin, c’est la première fois que la dynamique de spin dans des chaînes de type Ising a pu être sondée dans cette phase TLL.Les deux dernières études sont préliminaires. Le diagramme de phase de BaCo2V2O8 a été sondé par des mesures calorimétriques sous l’application d’une pression hydrostatique et d’un champ magnétique longitudinal. Afin d’obtenir des pressions allant jusqu’à 10 GPa, nous avons utilisé une cellule à enclumes de diamant. Nous avons effectué des mesures de chaleur spécifique qui nous ont permis de sonder l'effet de la pression sur le Hamiltonien de BaCo2V2O8 au travers de son diagramme de phase $(H, P, T)$. Enfin, nous avons étudié l’effet de la substitution des ions magnétiques Co2+ par des impuretés non-magnétiques Mg2+. Les expériences de diffraction neutronique sous champ longitudinal ont montré que la température et le champ critiques diminuent proportionnellement à la concentration en impuretés. La dynamique de spins à champ magnétique nul a aussi été sondée et révèle l’apparition de modes non-dispersifs, provenant possiblement de l’effet de segmentation des chaînes par les impuretés.En conclusion, nos études expérimentales couplées à des calculs numériques nous ont permis de dévoiler une physique extrêmement riche dans ce composé modèle pour l'étude du magnétisme quantique et des transitions de phase quantiques. / This manuscript is devoted to the study of quantum phase transitions in the BaCo2V2O8 oxide, a quasi-one dimensional antiferromagnet consisting of spin chains of cobalt magnetic ions carrying an effective spin S = 1/2 showing a strong Ising-like anisotropy. To achieve this, we have studied BaCo2V2O8 under the effect of different physical parameters.Our first study concerned the effect of a transverse magnetic field, i.e. applied perpendicularly to the Ising axis. It has been shown that when BaCo2V2O8 is subjected to such a field, an effective staggered magnetic field is induced perpendicularly to both the Ising-axis and the uniform applied field. Using neutron scattering experiments (both elastic and inelastic) compared to numerical calculations, we have proved that this staggered field competes with the Ising-like anisotropy. This leads to a very original quantum phase transition. Our system can actually be mapped onto a quantum field theory called “double sine-Gordon model”, describing the competition between two dual topological excitations. We have thus shown that BaCo2V2O8 under a transverse magnetic field is the first experimental realization of such a theory.The second study was devoted to the effect of a longitudinal magnetic field, i.e. a field applied parallel to the Ising-axis. The spin-dynamics have been investigated by means of inelastic neutron scattering experiments and it has been shown that above a critical field of 4 T, it corresponds to the one expected for a Tomonaga Luttinger liquid phase (TLL). Moreover, numerical calculations have shown that, because of the Ising-like anisotropy in this system, the majority of the spectral weight in the energy spectrum is carried by longitudinal spin fluctuations. This result is the signature of a quantum behavior without classical analogous with low energy longitudinal fluctuations driving the physics of the system. Finally, this is the first time that the dispersion spectrum for an Ising-like spin 1/2 chain could be probed in this TLL phase.The last two studies are preliminary work. The phase diagram of BaCo2V2O8 has been probed by calorimetric measurements under pressure and under a longitudinal magnetic field. Pressures up to 10 GPa have been obtained using a diamond anvil cell. We have then performed specific heat measurements allowing us to investigate the effect of pressure on the Hamiltonian of BaCo2V2O8 through its (H, P, T) phase diagram. Finally, we have also started to study the effect of the substitution of magnetic ions Co2+ by non-magnetic impurities Mg2+. The neutron diffraction experiments under a longitudinal magnetic field have shown that the critical temperature and critical field decrease proportionally to the concentration of impurities. The spin-dynamics at zero-field has also been investigated and reveals the appearance of non-dispersive magnetic modes, which possibly comes from the finite size effect of the spin chains segmented by the non-magnetic impurities.In conclusion, our experimental studies associated to numerical calculations allowed us to unveil a very rich physics in this model compound for the study of quantum magnetism and quantum phase transitions.
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L'atténuation sismique dans le manteau terrestre / Seismis attenuation in the Earth's mantleDurand, Stéphanie 26 October 2012 (has links)
Cette thèse s’intéresse à divers aspects de l’atténuation sismique dans le manteau terrestre et aux implications de celle-ci quant à la structure de ce dernier. L’enjeu est de mieux comprendre les mécanismes d’atténuation ainsi que les mesures que l’on peut effectuer afin d’améliorer les modèles radiaux d’atténuation dont on dispose et in fine l’interprétation des modèles de tomographie. Je me suis concentrée sur deux exemples de mécanismes d’atténuation, appartenant à deux grands types d’atténuation : l’atténuation intrinsèque, liée à l’absorption par le milieu d’une partie de l’énergie sismique dissipée irréversiblement sous forme de chaleur, et l’atténuation extrinsèque, liée à la dispersion de cette énergie par le milieu. Dans le premier cas, j'ai regardé l’effet des transitions de phase sur l’atténuation des ondes sismiques. En appliquant un modèle thermomécanique développé par Ricard et al., 2009, pour prédire l’atténuation des ondes sismiques liée à la transition de phase uniquement et en comparant les valeurs obtenues aux mesures dont on dispose, j'ai pu contraindre la cinétique d’une transition de phase mantellique. Dans le second cas, j'ai testé l’effet de l’anisotropie comme mécanisme d'atténuation apparente, le but étant de trouver une distribution statistique d’orientation d’anisotropie pouvant reproduire la quasi-constance du facteur de qualité Q avec la fréquence, observée en sismologie et lors d’expériences de laboratoire (Knopoff, 1964), et aujourd’hui expliquée par un modèle ad-hoc seulement (Liu, 1976).Enfin, je me intéressée à mesurer cette atténuation sismique sur des enregistrements réels. Après avoir testé la méthode dite de la fréquence instantanée (Ford et al., 2012), je me suis concentrée sur deux régions, l’Amérique centrale et l’Alaska pour l'appliquer. Ces mesures sont ensuite interprétées en termes de modèle radial d’atténuation révélant un manteau inférieur hétérogène atténuant. Je montre aussi qu’une origine compositionnelle est la plus probable pour expliquer ces anomalies d’atténuation. / This thesis is devoted to various aspects of seismic attenuation in the Earth's mantle and the consequences on the mantle structure. The challenge is to better understand the attenuation mechanisms, as well as the measurements that can be done, in order to improve the published radial profiles of attenuation and in fine the interpretation of tomographic models.I focus on two examples of attenuation mechanisms, belonging to two kinds of attenuation: the intrinsic attenuation related to the absorption by the medium of a part of the seismic energy then irreversibly dissipated as heat, and the extrinsic attenuation related to the dispersion of the seismic energy by the medium. In the first case, I investigate the effect of phase transitions upon seismic attenuation. Applying the thermo-mechanical model developped by Ricard et al., 2012, to calculate the attenuation of seismic waves due to the phase transition only and comparing the obtained values to published measurements, I succeed in constraining the kinetics of a mantle phase transition. In the second case, I test the seismic anisotropy as a mechanism of extrinsic attenuation, the aim being to find a statistical distribution of anisotropy orientation and layer thicknesses that can reproduce the observed quasi-frequency independence of Q in seismology and laboratory experiments (Knopoff, 1964), and which is, today, only explained by an ad-hoc model (Liu, 1976).Finally, I was interested in measuring the seismic attenuation on real seismograms. After having tested the method of the instantaneous frequency (Ford et al., 2012), I applied it to seismic records sampling the mantle below Central America and Alaska. These measurements are then inverted for a radial profile of shear attenuation which reveals the existence of an attenuating zone in the lower mantle. I also show that these attenuation anomalies are likely to be of chemical origin.
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Couplage géochimie-géomécanique dans les milieux poreux insaturés : Tension capillaire – Pression de cristallisation / Chemical-mechanical coupling in unsaturated porous media : Capillary tension – Crystallization pressureHulin, Claudie 08 December 2017 (has links)
Dans la zone insaturée, l’altération des roches poreuses en condition de séchage est attribuée principalement aux sels qui cristallisent dans la solution porale lors de son évaporation. Ils exercent une pression (pression de cristallisation) contre les parois du pore dont le moteur est la sursaturation de la solution. Dans le même contexte, l’eau porale qui est retenue par capillarité dans les pores nanométriques est amenée sous pression négative. L’eau sous tension capillaire exerce une traction mécanique contre les parois du pore, mais aussi modifie les équilibres chimiques. Ces deux mécanismes, pression de cristallisation et traction capillaire, qui sont de nature physique, ont pour origine le déséquilibre chimique entre l’eau porale et l’air sec.Des expériences de cristallisation de sels (Na2SO4, NaCl) permettent 1/ de mettre en évidence des conditions favorables à l’expression de la pression de cristallisation, qui apparait comme un phénomène brutal et transitoire provoqué par la relaxation d’un état de déséquilibre (sursaturation), et 2/ de montrer que la tension capillaire, générée par une interface nanométrique, peut être transmise à un macrovolume dans un système géométrique particulier construit par les sels. L’état de tension y est métastable (l’eau est surchauffée) mais dure suffisamment longtemps pour observer les effets mécaniques (traction) et chimiques (dissolution) attendus. La relaxation brutale de l’état de surchauffe permet une rapide sursaturation, qui est le moteur de la pression de cristallisation.Ainsi, les cycles climatiques sont à l’origine d’évènements brutaux et transitoires qui marquent la relaxation d’un état de déséquilibre (surchauffe et sursaturation), contrôlés par la tension capillaire et la cristallisation des sels qui coopèrent pour altérer la roche en conditions de séchage. / The alteration of porous media in drying conditions is generally attributed to the pressure exerted by growing salts from the poral evaporating solution against the pore wall (crystallization pressure). In drying conditions, the water retained by capillarity in nanometric pores is under absolute negative pressure. Water under capillary tension exerts a mechanical traction against the pore walls but also modifies the chemical equilibria and so rock-fluid interactions. Crystallization pressure and capillary tension, which are physical processes, are both induces by the disequilibrium between poral water and dry air.Salt crystallization experiments in microtubes (Na2SO4, NaCl) show some favorable conditions for crystallization pressure - in terms of supersaturation and geometry – which is transient and brutal. A second series of experiments shows that capillary tension, generated by a nanometric liquid air interface, can be transmitted to a macrovolume of aqueous solution in a particular geometric system built with salts. The tensile state is metastable (superheated), but long enough to modify significantly the chemical budget of the system and to see mechanical effects. The brutal relaxation of the superheating state by vapor nucleation induces a rapid salt supersaturation which is the driving force of the crystallization pressure.The salt growth (during evaporation) and capillarity cooperate in drying conditions to alter porous media.During climate cycles (especially humidity) they control and induce transient and brutal events which mark the end of metastable states (superheating and salt supersaturation).
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Aspectos de Teoria de Campos e Mecânica Estatística / Aspects of Field Theory and Statistical MechanicsPedro Rogério Sergi Gomes 15 February 2013 (has links)
A teoria quântica de campos pode ser vista como um conjunto de métodos e idéias que além de sua importância no estudo das partículas elementares, tem sido amplamente usada em outras áreas. Em especial, ela constitui uma ferramenta indispensável no estudo moderno de transições de fases e fenômenos críticos. A origem dessa constante relação entre a teoria de campos e a matéria condensada deve-se ao fato que, apesar de suas diferenças superficiais, ambas tratam de problemas envolvendo um grande número de graus de liberdade. Assim, não é surpreendente que as mesmas técnicas possam ser úteis nos dois campos. Este trabalho trata de problemas nessas duas áreas e está essencialmente divido em duas partes. A primeira parte é dedicada ao estudo de teorias de campos com uma anisotropia entre o espaço e o tempo, o que implica uma quebra da simetria de Lorentz. Uma das motivações para considerar esse tipo de teoria vem justamente do estudo de transições de fase em sistemas da matéria condensada. Análises do grupo de renormalização com ênfase na possibilidade de restauração da simetria de Lorentz e também uma discussão sobre identidades de Ward são realizadas. Na segunda parte, a atenção é voltada para a mecânica estatística mas com uma abordagem típica da teoria de campos, em especial, voltada para o estudo de transições de fase clássicas e quânticas a partir da versão quantizada do modelo esférico e de sua extensão supersimétrica. / Quantum field theory can be seen as a set of methods and ideas that, besides its importance in the study of the elementary particles, has been widely used in other areas. In particular, it constitutes an indispensable framework in the modern approach to phase transitions and critical phenomena. The origin of this constant relationship between field theory and condensed matter is due to the fact that despite their superficial differences, both deal with problems involving a large number of degrees of freedom. Thus, it is not surprising that the same techniques may be useful in both fields. This work addresses problems in these two areas and it is essentially divided in two parts. The first part is devoted to the study of field theories with an anisotropy between space and time, which implies a breaking of the Lorentz symmetry. One of the moti- vations for considering this kind of theory is precisely the study of phase transitions in condensed matter systems. Renormalization group analysis with emphasis on the possi- bility of restoration of the Lorentz symmetry and also a discussion about Ward identities are performed. In the second part, the attention is centered on statistical mechanics but with an approach typical of field theory, in particular, focused to the study of classical and quantum phase transitions from the quantized version of the spherical model and its supersymmetric extension.
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