Dissertations / Theses on the topic 'Long-range interacting systems'

Université Pierre et Marie Curie
Laboratoire de Physique Nucléaire et Hautes Énergies dans le cadre de l’École Doctorale ED 389
Tese arquivada ao abrigo da Portaria nº 227/2017 de 25 de julho.
Long range interactions concern numerous natural systems. A notable example is the one of the gravitation which is relevant in the case of the study of a stars system or galaxy clusters. In particular, these systems does not respect the additivity of thermodynamical potential and present a dynamics dominated by collective effects. One of the most remarkable feature is that, after a very rapid evolution, these systems remains trapped into quasi-stationary states up to a very long time (diverging with the system size). It is only on longer time scales, that simulations have shown that the system relaxes to thermal equilibrium. Quasi-stationary states are theoretically interpreted as solutions of the Vlasov equation. This mean filed equation represents a very good approximation of the dynamics of long range systems in the limit of a large number of particles. Firstly we give a limit on the validity of the Vlasov equation depending of the range of the pair force and on its short scales regularisation. In a second part, using theoretical an numerical approach, we study the modification of the dynamics of long range systems when subjected to different kinds of non-Hamiltonian perturbations. In particular, the robustness of quasi-stationary states, in presence of this different perturbations is analysed in details.
Les interactions à longue portée concernent de nombreux systèmes naturels. Un exemple notable est celui de la gravitation newtonienne qui est pertinent dans le cas de l’étude de systèmes d’étoiles ou d’amas de galaxies. Ces systèmes ont notamment la particularité de ne pas respecter l’additivité des potentiels thermodynamiques et présentent une dynamique dominée par les effets collectifs. Une caractéristique remarquable est qu’après une évolution très rapide, ces systèmes restent piégés dans des états quasi-stationnaires pendant un temps qui peut être extrêmement grand (divergeant avec la taille du système). C’est seulement sur des échelles de temps plus longues que les simulations montrent que ces systèmes relaxent à l’équilibre thermodynamique. Les états quasi-stationnaire sont interprétés théoriquement comme les solutions stationnaires de l’équation de Vlasov. Cette équation de champs moyen représente une très bonne approximation de la dynamique macroscopique des systèmes en interaction à longue portée dans la limite où le nombre de particules tend vers l’infini. Dans un premier temps, nous nous attachons à comprendre, en fonction de la portée de la force de paire et de sa régularisation à court distance, quel est le champs de validité de cette équation, et en particulier, dans quelle cas le phénomène d’état quasi-stationnaire est attendu. Dans une seconde partie, combinant les approches théoriques et numériques, nous étudions la modification de la dynamique des systèmes à longue portée soumis à différentes sortes de perturbations non-Hamiltoniennes. La robustesse des états quasi-stationnaires en présence des différentes perturbations est analysée en détails.

Les interactions à longue portée concernent de nombreux systèmes naturels. Un exemple notable est celui de la gravitation newtonienne qui est pertinent dans le cas de l'étude de systèmes d'étoiles ou d'amas de galaxies. Ces systèmes ont notamment la particularité de ne pas respecter l'additivité des potentiels thermodynamiques et présentent une dynamique dominée par les effets collectifs. Une caractéristique remarquable est qu'après une évolution très rapide, ces systèmes restent piégés dans des états quasi-stationnaires pendant un temps qui peut être extrêmement grand (divergeant avec la taille du système). C'est seulement sur des échelles de temps plus longue que les simulation montre que ces systèmes relaxent à l’équilibre thermodynamique.Les états quasi-stationnaire sont interprétés théoriquement comme les solution stationnaires de l'équation de Vlasov. Cette équation de champs moyen représente un très bonne approximation de la dynamique macroscopique des systèmes en interaction à longue portée dans la limite ou le nombre de particule tend vers l'infini. Dans une premier temps, nous nous attacherons à comprendre, en fonction de la portée de la force de paire et de sa régularisation à court distance, quel est le champs de validité de cette équation, et en particulier, dans quelle cas le phénomène d'état quasi-stationnaire est attendu.Dans une seconde partie, combinant les approches théoriques et numériques, nous étudions la modification de la dynamique des systèmes à longue portée soumis à différentes sortes de perturbation non-Hamiltonienne. La robustesse des états quasi-stationnaires en présence des différentes perturbation est analysée en détails
Long range interactions concern numerous natural systems. A notable example is the one of the gravitation which is relevant in the case of the study of a stars system or galaxy clusters. In particular, these systems does not respect the additivity of thermodynamical potential and present a dynamics dominated by collective effects. One of the most remarkable feature is that, after a very rapid evolution, these systems remains trapped into quasi-stationary states up to a very long time (diverging with the system size). It is only on longer time scales, that simulations have shown that the system relaxes to thermal equilibrium.Quasi-stationary states are theoretically interpreted as solutions of the Vlasov equation. This mean filed equation represents a very good approximation of the dynamics of long range systems in the limit of a large number of particles. Firstly we give a limit on the validity of the Vlasov equation depending of the range of the pair force and on its short scales regularisation. In a second part, using theoretical an numerical approach, we study the modification of the dynamics of long range systems when subjected to different kinds of non-Hamiltonian perturbations. In particular, the robustness of quasi-stationary states, in presence of this different perturbations is analysed in details

Two main topics are examined in this thesis: classical systems with long-range interactions and thermal radiation in the near-field regime. In the first part, we present a thermodynamic approach describing systems with long-range interactions which takes into account the intrinsic nonadditivity in these systems. The basic concept behind this approach is to consider a large ensemble of replicas of the system where the standard formulation of thermodynamics can be naturally applied and the properties of a single system can be consequently inferred. The formulation of the thermodynamic for these systems is in close connection with Hill's thermodynamics of systems with small number of particles. It is shown that systems with long-range interactions can attain equilibrium configurations in the unconstrained ensemble. In this statistical ensemble, the control parameters are the temperature, pressure, and chemical potential, while the energy, volume, and number of particles fluctuate. We consider a solvable model as a concrete example of a system that achieves stable equilibria in this ensemble. We also give a complete description of the phase-diagram of the Thirring model in both the microcanonical and the canonical ensemble, highlighting the main features of ensemble inequivalence. I the second part, we study energy and entropy fluxes of near-field thermal radiation in many-body systems, with application to energy-conversion processes. It is shown that the maximum work that can be obtained from the thermal radiation emitted by two planar sources in the near-field regime is much larger than that corresponding to the blackbody limit. This quantity as well as an upper bound for the efficiency of the process are computed from the formulation of thermodynamics in the near-field regime. The case when the difference of temperatures of the hot source and the environment is small, relevant for energy harvesting, is studied in detail. We also show that thermal radiation energy conversion can be more efficient in the near-field regime. Moreover, by analyzing the thermodynamic performance of three-body near-field heat engines, we demonstrate that the power they supply can be substantially larger than that of two-body systems, showing their strong potential for energy harvesting. Theoretical limits for energy and entropy fluxes in three-body systems are discussed and compared with their corresponding two-body counterparts. Such considerations confirm that the thermodynamic availability in energy-conversion processes driven by three-body photon tunneling can exceed the thermodynamic availability in two-body systems.
En esta tesis se estudia la termodinámica y mecánica estadística de sistemas clásicos con interacciones de largo alcance y de la radiación térmica de campo cercano. En la primera parte, introducimos un formalismo termodinámico apropiado para sistemas con interacciones de largo alcance, en el cual se tiene en cuenta la no aditividad intrínseca en estos sistemas. Para estos sistemas, mostramos que la temperatura, presión y potencial químico pueden ser variables independientes. A su vez, dependiendo del sistema, lo anterior da lugar a poder tomar estas variables como parámetros de control para definir las configuraciones de equilibrio. Para estudiar este hecho, hemos introducido un modelo que cumple estas condiciones. En la segunda parte de la tesis, hemos desarrollado un esquema termodinámico para describir procesos de conversión de energía en trabajo útil en sistemas con interacción térmica radiativa en el campo cercano. Se ha mostrado explícitamente que de la radiación térmica de campo cercano puede extraerse un trabajo útil mayor que el obtenido de la radiación térmica de cuerpo negro. Hemos mostrado, además, que la potencia obtenida en sistemas con tres cuerpos en interacción puede ser considerablemente superior que en el caso de dos cuerpos.

The thesis is divided in two parts, corresponding to the two main subjects on which I have worked during my PhD. In the first Part, we introduce many-body long-range interacting systems, such as plasma and self-gravitating systems. We first review the well known properties of isolated systems, which show peculiar behaviors both for what concern the equilibrium and the relaxation to equilibrium. We then consider long-range systems driven away from equilibrium and we show how the techniques developed for isolated systems can be extended to describe these situations. Generalizations to describe simplified models relevant for geophysical flows and two-dimensional turbulence are also discussed. Our work stands at the edge between the study of long-range interacting systems and the study of non-equilibrium systems.The second part of the thesis is devoted to the study of equilibrium properties of Hamiltonian systems with energy landscape techniques. A number of recent results is reviewed and applied to long and short-range interacting systems. One of the scope of my work was to study models whose energy landscape is much more complicated than what previously done. In the case of ferromagnetic short-range O(n) models on hypercubic lattices, our analysis unveiled a striking similarity between the critical energies of the Ising model and the O(n) models defined on the same lattice with the same interaction matrix. Generalizations of the Stillinger and Weber formalism are discussed as preliminary results and future perspectives.

2009/2010
In this Thesis we describe the theoretical-computational study performed on the behavior of isolated systems, far from thermodynamic equilibrium. Analyzing models well-known in literature we follow a path bringing to the classification of different behaviors in function of the interaction range of the systems' particles. In the case of systems with long-range interaction we studied the "Quasi-Stationary states" (QSSs) which emerge at short times when the system evolves with Hamiltonian dynamics. Their interest is in the fact that in many physical systems, such as self-gravitating systems, plasmas and systems characterized by wave-particle interaction, QSSs are the only experimentally accessible regime. QSS are defined as stable solutions of the Vlasov equation and, as their duration diverges with the system size, for large systems' size they can be seen as the true equilibria. They do not follow the Boltzmann statistics, and it does not exists a general theory which describes them. Anyway it is possible to give an approximate description using Lynden-Bell theory. One part of the thesis is devoted to shed light on the characteristics of the phase diagram of the "Hamiltonian mean field" model (HMF), during the QSS, calculated with the Lynden-Bell theory. The results of our work allowed to confirm numerically the presence of a phase re-entrance. In the Thesis is present also a detailed description on the system's caloric curves and on the metastability. Still in this context we show an analysis of the equivalence of the statistical ensembles, confirmed in almost the totality of the phase diagram (except for a small region), although the presence of negative specific heat in the microcanonical ensemble, which in Boltzmannian systems implies the non-equivalence of statistical ensembles. This result allowed us to arrive to a surprising conclusion: the presence of negative specific heat in the canonical ensemble. Still in the context of long-range interacting systems we analyze the linear stability of the non-homogeneous QSSs with respect to the Vlasov equation. Since the study of QSS find an application in the Free-electron laser (FEL) and other light sources, which are characterized by wave-particle interaction, we analyze, in the last chapter, the experimental perspectives of our work in this context. The other class of systems we studied are short-range interacting systems. Here the behavior of the components of the system is strongly influenced by the neighbors, and if one takes a system in a disordered state (a zero magnetization state for magnetic systems), which relaxes towards an ordered equilibrium state, one sees that the ordering process first develops locally and then extends to the whole system forming domains of opposed magnetization which grow in size. This process is called "coarsening". Our work in this field consisted in investigating numerically the laws of scale, and in the Thesis we characterize the temporal dependence of the domain sizes for different interaction ranges and we show a comparison between Hamiltonian and Langevin dynamics. This work inserts in the open debate on the equivalence of different dynamics where we found that, at least for times not too large, the two dynamics give different scaling laws.
In questa Tesi è stato fatto uno studio di natura teorico-computazionale sul comportamento dei sistemi isolati lontani dall'equilibrio termodinamico. Analizzando modelli noti in letteratura è stato seguito un percorso che ha portato alla classificazione di differenti comportamenti in funzione del range di interazione delle particelle del sistema. Nel caso di sistemi con interazione a lungo raggio sono stati studiati gli "stati quasi-stazionari" (QSS) che emergono a tempi brevi quando il sistema evolve con dinamica hamiltoniana. Il loro interesse risiede nel fatto che in molti sistemi fisici, come i sistemi auto-gravitanti, plasmi e sistemi caratterizzati da interazione onda-particella, i QSS risultano essere gli unici regimi accessibili sperimentalmente. I QSS sono definiti come soluzioni stabili dell'equazione di Vlasov, e visto che la loro durata diverge con la taglia del sistema, per sistemi di grandi dimensioni possono essere visti come i veri stati di equilibrio. Questi non seguono la statistica di Bolzmann, e non esiste una teoria generale che li descriva. E' tuttavia possibile fare una descrizione approssimata utilizzando la teoria di Lynden-Bell. Una parte della tesi è dedicata alla comprensione delle caratteristiche del diagramma di fase del modello "Hamiltonian mean field" (HMF) durante il QSS, calcolato con la teoria di Lynden-Bell. Il risultato del nostro lavoro ha permesso di confermare numericamente la presenza di fasi rientrati. E' inoltre presente un'analisi dettagliata sulle curve caloriche del sistema e sulla metastabilità. Sempre in questo contesto è stata fatto uno studio sull'equivalenza degli ensemble statistici, confermata nella quasi totalità del diagramma di fase (tranne in una piccola regione), nonostante la presenza di calore specifico negativo nell'insieme microcanonico, che in sistemi Boltzmanniani è sinonimo di non-equivalenza degli ensemble statistici. Questo risultato ci ha permesso di arrivare ad una sorprendente conclusione: la presenza di calore specifico negativo nell'insieme canonico. Sempre nel contesto dei sistemi con interazione a lungo range, è stata analizzata la stabilità lineare rispetto all'equazione di Vlasov degli stati quasi-stazionari non-omogenei. Poiché lo studio dei QSS trova applicazione nel Free-electron laser (FEL) e in altre sorgenti di luce, caratterizzate dall'interazione onda-particella, abbiamo analizzato anche le prospettive sperimentali del nostro lavoro in questo contesto. L'altra classe di sistemi che è stata studiata sono i sistemi con interazione a corto raggio. Qui il comportamento dei componenti del sistema è fortemente influenzato dai vicini, e se si prende un sistema in uno stato disordinato (a magnetizzazione nulla nei sistemi magnetici) che rilassa verso l'equilibrio ordinato, si vede che il processo di ordinamento si sviluppa prima localmente e poi si estende a tutto il sistema formando dei domini di magnetizzazione opposta che crescono in taglia. Questo processo si chiama "coarsening". Il nostro lavoro in questo contesto è consistito in una investigazione numerica delle leggi di scala, e nella tesi è stata caratterizzata la dipendenza temporale della taglia dei domini per differenti range di interazione ed è stato fatto un confronto fra dinamica hamiltoniana e dinamica di Langevin. Questi risultati si inseriscono nel dibattito aperto sull'equivalenza di differenti dinamiche, e si è mostrato che, almeno per tempi non troppo grandi, le due dinamiche portano a leggi di scala differenti.
XXIII Ciclo
1982

L'auto-organisation des organismes vivants est d'une complexité et d'une efficacité étonnantes. Plus précisément, les systèmes biologiques abritent un nombre gigantesque de réactions très spécifiques qui nécessitent que la bonne biomolécule se retrouve à la bonne place, dans le bon ordre et en un temps suffisamment court pour permettre le fonctionnement cellulaire, et au-delà la vie cellulaire. D'un point de vue dynamique, cela pose la question fondamentale de savoir comment les biomolécules trouvent efficacement leur(s) cible(s) spécifique(s), ou encore, quels types de forces rassemblent tous ces partenaires de réaction spécifiques dans un environnement aussi dense et ionisé que les micro-environnements cellulaires. Dans cette thèse, nous explorons la possibilité que des biomolécules puissent interagir à travers des interactions électromagnétiques de longue-portée telles que ces dernières sont prédites à partir des premiers principes de la physique; ''longue-portée'' signifiant que les interactionsen question sont actives sur des distances bien plus larges que les dimensions typiques des molécules mises en jeu (i.e., plus grandes qu'environ 50 angströms dans les systèmes biologiques). Après avoir posé les fondements théoriques concernant les interactionsde longue-portée potentiellement actives sur de longue distances dans un contexte biologique, nous étudions la posssibilité de détecter leur éventuelle contribution à partir de dispositifs expérimentaux qui sont accessibles de nos jours. Sur ce dernier point, des résultats préliminaires encourageants tant sur le plan théorique qu'expérimental sont présentés
Self-organization of living organisms is of an astonishing complexity and efficiency. More specifically, biological systems are the site of a huge number of very specific reactions thatrequire the right biomolecule to be at the right place, in the right order and in a reasonably short time to sustain cellular function and ultimately cellular life. From the dynamic point of view, this raises the fundamental question of how biomolecules effectively find their target(s); in other words, what kinds of forces bring all these specific cognate partners together in an environment as dense and ionized as cellular micro-environments. In the present thesis, we explore the possibility that biomolecules interact through long-range electromagnetic interactions as they are predicted from the first principles of physics; "long-range" meaning that the mentioned interactions are effective over distances much larger than the typical dimensions of the molecules involved (i.e., larger than about 50 angströms in biological systems).After laying the theoretical foundations about interactions that are potentially active over long distances in a biological context, we investigate the possibility of detecting their contribution from experimental devices which are nowadays available. On the latter point, encouraging preliminary results both at the theoretical and experimental levels are exposed

It is well known that some driven systems undergo transitions when a system parameter is changed adiabatically around a critical value. This transition can be the result of a fundamental change in the structure of the phase space, called a bifurcation. Most of these transitions are well classified in the theory of bifurcations. Among the driven systems, spatiotemporally periodic (STP) potentials are noteworthy due to the intimate coupling between their time and spatial components. A paradigmatic example of such a system is the Kapitza pendulum, which is a pendulum with an oscillating suspension point. The Kapitza pendulum has the strange property that it will stand stably in the inverted position for certain driving frequencies and amplitudes. A particularly interesting and useful STP system is an array of parallel electrodes driven with an AC electrical potential such that adjacent electrodes are 180 degrees out of phase. Such an electrode array embedded in a surface is called an Electric Curtain (EC). As we will show, by using two ECs and a quadrupole trap it is posible to produce an electric potential simular in form to that of the Kapitza pendulum. Here I will present the results of four related pieces of work, each focused on understanding the behaviors STP systems, long-range interacting particles, and long-range interacting particles in STP systems. I will begin with a discussion on the experimental results of the EC as applied to the cleaning of solar panels in extraterrestrial environments, and as a way to produce a novel one-dimensional multiparticle STP potential. Then I will present a numerical investigation and dynamical systems analysis of the dynamics that may be possible in an EC. Moving to a simpler model in order to explore the rudimentary physics of coulomb interactions in a STP potential, I will show that the tools of statistical mechanics may be important to the study of such systems to understand transitions that fall outside of bifurcation theory. Though the Coulomb and, similarly, gravitational interactions of particles are prevalent in nature, these long-range interactions are not well understood from a statistical mechanics perspective because they are not extensive or additive. Finally, I will present a simple model for understanding long-range interacting pendula, finding interesting non-equilibrium behavior of the pendula angles. Namely, that a quasistationary clustered state can exist when the angles are initially ordered by their index.

Constantly increasing experimental possibilities with strongly correlated systems of ultracold atoms in optical lattices and trapped ions make them one of the most promising candidates for quantum simulation and quantum computation in the near future, and open new opportunities for study many-body physics. Out-of-equilibrium properties of such complex systems present truly fascinating and rich physics, which is yet to be fully understood. This thesis studies many-body dynamics of quantum systems with long-range interactions and addresses a few distinct issues. The first one is related to a growing interest in the use of ultracold atoms in optical lattices to simulate condensed matter systems, in particular to understand their magnetic properties. In our project on tilted optical lattices we map the dynamics of bosonic particles with resonantly enhanced long-range tunnelings onto a spin chain with peculiar interaction terms. We study the novel properties of this system in and out of equilibrium. The second main topic is the dynamical growth of entanglement and spread of correlations between system partitions in quench experiments. Our investigation is based on current experiments with trapped ions, where the range of interactions can be tuned dynamically from almost neighboring to all-to-all. We analyze the role of this interaction range in non-equilibrium dynamics. The third topic we address is a new method of quantum state estimation, certified Matrix Product State (MPS) tomography, which has potential applications in regimes unreachable by full quantum state tomography. The investigation of quantum many-body systems often goes beyond analytically solvable models; that is where numerical simulations become vital. The majority of results in this thesis were obtained via the Density Matrix Renormalization Group (DMRG) methods in the context of the MPS and Matrix Product Operator(MPO) formalism. Further developing and optimizing these methods made it possible to obtain eigenstates and thermal states as well as to calculate the time dependent dynamics in quenches for experimentally relevant regimes.

Thesis (MSc)--Stellenbosch University, 2012.
ENGLISH ABSTRACT:In this thesis we discuss some of the anomalies present in systems with long-range interactions, for instance negative speci c heat and negative magnetic susceptibility, and show how they can be related to the convexity properties of the thermodynamic potentials and nonequivalence of ensembles. We also discuss the possibility of engineering long-range quantum spin systems with cold atoms in optical lattices to experimentally verify the existence of nonequivalence of ensembles. We then formulate an expression for the density of states when the energy and magnetisation correspond to a pair of non-commuting operators. Finally we analytically compute the entropy s( ;m) as a function of energy, , and magnetisation, m, for the anisotropic Heisenberg model with Curie-Weiss type interactions. The results show that the entropy is non-concave in terms of magnetisation under certain circumstances which in turn indicates that the microcanonical and canonical ensembles are not equivalent and that the magnetic susceptibility is negative. After making an appropriate change of variables we show that a second-order phase transition can be present at negative temperatures in the microcanonical ensemble which cannot be represented in the canonical ensemble.
AFRIKAANSE OPSOMMING: In hierdie tesis bespreek ons van die onverwagte eienskappe wat sisteme met lang afstand wisselwerkings kan openbaar, byvoorbeeld negatiewe spesi eke warmte en negatiewe magnetiese suseptibiliteit. Ons dui ook die ooreenkoms tussen hierdie gedrag en die konveksiteit van die termodinamiese potensiale en nie-ekwivalente ensembles aan. Hierna bespreek ons die moontlikheid om lang afstand kwantum spin sisteme te realiseer met koue atome in 'n optiese rooster. Daarna wys ons hoe dit moontlik is om 'n uitdrukking vir die digtheid van toestande te formuleer vir sisteme waar die energie en magnetisasie ooreenstem met operatore wat nie met mekaar kommuteer nie. Uiteindelik bepaal ons die entropie, s( ;m), in terme van die energie, , en magnetisasie, m, vir die anisotropiese Heisenberg model met Curie-Weiss tipe interaksies. Die resultate wys dat die entropie onder sekere omstandighede nie konkaaf in terme van magnetisasie is nie. Dit, op sy beurt, dui aan dat die mikrokanoniese en kanoniese ensembles nie ekwivalent is nie en dat die magnetiese suseptibiliteit negatief kan wees. Nadat ons 'n toepaslike transformasie van veranderlikes maak, wys ons dat 'n tweede orde fase-oorgang by negatiewe temperature kan plaasvind in die mikrokanoniese ensemble wat nie verteenwoordig kan word in die kanoniese ensemble nie.

Sistemas cujos componentes interagem por meio de forças de longo alcance não-blindadas por exemplo, sistemas estelares e plasmas não-neutros têm algumas características anô- malas em relação a sistemas com forças blindadas ou de curto alcance. Além de apresentarem características termodinâmicas peculiares como calor especí co negativo e inequivalência de ensembles, sua dinâmica é predominantemente não-colisional e leva à estados quasiestacion ários fora de equilíbrio. Esses estados são notoriamente difíceis de prever dada uma condição inicial qualquer, e ainda não existe uma teoria uni cada para tratá-los. O equilíbrio termodinâmico é atingido somente após tempos longos que escalam com o tamanho do sistema, muitas vezes excedendo o tempo de vida do universo. A relaxação para o equilíbrio, portanto, tem duas escalas de tempo: uma, curta, que leva a estados quasi-estacionários fora de equilíbrio, e a segunda, longa, que leva ao equilíbrio termodinâmico. Nesta tese de doutorado, examinamos esses fenômenos aplicando modelos teóricos e simulação numérica para diferentes sistemas de interação de longo-alcance, incluindo um modelo de spins clássicos tipo XY com longo alcance, e o sistema auto-gravitante em três dimensões. Em uma segunda etapa, estudamos a relaxação para o equilíbrio termodinâmico, a relaxação colisional, através de equações cinéticas e simulação numérica. Desta forma, buscamos esclarecer os mecanismos por trás dos estados quasi-estacionários e da relaxação colisional.
Systems whose components interact by unscreened long-range forces for example, stellar systems and non-neutral plasmas have characteristics that are anomalous with respect to systems with shielded or short-range forces. Besides presenting unique thermodynamic properties such as negative speci c heat and inequivalence of ensembles, their dynamics is predominantly collisionless and leads to out-of-equilibrium quasi-stationary states. These states are notoriously di cult to predict given an arbitrary initial condition, and there is still no uni ed theory to treat them. Thermodynamic equilibrium is reached only after long timescales that increase with the system size and often exceed the lifetime of the universe. Relaxation to equilibrium, therefore, has two timescales: one short, leading to outof- equilibrium quasi-stationary states, and a second, longer, which leads to thermodynamic equilibrium. In this thesis, we examine these phenomena by applying theoretical models and numerical simulation for di erent long-range interacting systems, including a model of classical XY-type spins with long-range interactions, and the self-gravitating system in three dimensions. In a second stage we study the collisional relaxation to thermodynamic equilibrium through kinetic equations and numerical simulation. We thus seek to clarify the mechanisms behind the quasi-stationary states and collisional relaxation.

Durant cette thèse, nous étudions des systèmes unidimensionnels avec des couplages longue-portée. Dans la première partie, nous démontrons que ces couplages entraînent une décroissance algébrique des corrélations dans des fils quantiques désordonnés. Deuxièmement, nous analysons un modèle étendu de Hubbard où les particules interagissent via un potentiel « soft-core » générant de nouvelles phases exotiques. Dans le troisième chapitre, nous démontrons que restaurer l’extensivité a une influence sur les propriétés de basse énergie de modèle quantique dans la limite thermodynamique. Finalement, nous présentons des résultats préliminaires sur la modification de la localisation d’Anderson en présence d’un couplage avec une cavité
During this Ph.D., we studied one-dimensional systems with long-range couplings. In the first part, we demonstrate that power-law couplings lead to an algebraic decay of correlations at long distances in disordered quantum wires. In the second chapter, we analysed an extended Hubbard model where particles interact via a finite-range potential that induces frustration and new exotic phases. In the third chapter, we demonstrated that restoring energy extensivity has an influence on the low-energy properties of quantum model in the thermodynamic limit. Finally, we provide preliminary results on the modification of Anderson localization due to the coupling to a cavity mode

During this Ph.D, we studied one-dimensional systems with long-range couplings. In the first part, we demonstrate that power-law couplings lead to an algebraic decay of correlations at long distances in disordered quantum wires. In the second chapter, we analyzed an extended Hubbard model where particles interact via a finite-range potential that induces frustration and new exotic phases. In the third chapter, we demonstrated that restoring energy extensivity has an influence on the low-energy properties of quantum model in the thermodynamic limit. Finally, we provide preliminary results on the modification of Anderson localization due to the coupling to a cavity mode.
Durant cette thèse, nous étudions des systèmes unidimensionnels avec des couplages longue-portée. Dans la première partie, nous démontrons que ces couplages entraînent une décroissance algébrique des corrélations dans des fils quantiques désordonnés. Deuxièmement, nous analysons un modèle étendu de Hubbard où les particules interagissent via un potentiel « soft-core » générant de nouvelles phases exotiques. Dans le troisième chapitre, nous démontrons que restaurer l’extensivité a une influence sur les propriétés de basse énergie de modèle quantique dans la limite thermodynamique. Finalement, nous présentons des résultats préliminaires sur la modification de la localisation d’Anderson en présence d’un couplage avec une cavité.

Cette thèse étudie le comportement de la chaîne d'événements de Monte Carlo (ECMC) dans les systèmes de particules à interaction de longue portée. Les deux premiers chapitres présentent les méthodes actuelles de simulation moléculaire, en soulignant leurs difficultés à traiter l'interaction de Coulomb, et donnent les bases de l'ECMC. Le troisième chapitre présente notre cadre d'échantillonnage du système de Coulomb à l'aide de l'ECMC. Dans le cadre de la convention "tin-foil", la formulation constituée d’interaction à deux corps pour l'électrostatique peut être appliquée directement à la méthode "cell-veto". En ajoutant à cela, la factorisation dipolaire obtient un algorithme en O(NlogN)-par-balayage pour les systèmes dipolaires. Les chapitres quatre et cinq décrivent notre développement d'une application scientifique appelée JeLLyFysh pour la simulation moléculaire par ECMC. La conception de son médiateur et le traitement de toutes les opérations en flux continu sont les mieux adaptés aux extensions futures. Le chapitre six décrit les performances de l'ECMC pour les grands systèmes d'eau à l’aide de JeLLyFysh. La dynamique qui en résulte implique qu'un schéma plus sophistiqué est nécessaire pour équilibrer la polarisation. Enfin, au chapitre sept, on teste la stratégie d'échantillonnage avec changement de direction séquentiel. L'évolution du dipôle présente une dynamique particulière, et l'ensemble des choix de direction ainsi que l'ordre de sélection s'avèrent tous deux cruciaux pour atteindre la distribution stationnaire de l'orientation du dipôle
This thesis studies the behavior of event-chain Monte Carlo (ECMC) in long-range particle systems. In the first two chapters, we introduce established methods for molecular simulation, highlighting their difficulties in dealing with Coulomb interaction, and gives the basic of ECMC. The third chapter presents our framework of Coulomb system sampling using ECMC. Under the tin-foil convention, the formulation consisting of pairwise terms for electrostatics can be directly applied to the cell-veto method. Together with dipole factorization, we obtain an O(NlogN)-per-sweep algorithm for dipole systems. Chapters four and five describe our development of a scientific application called JeLLyFysh for molecular simulation through ECMC. Its mediator design and stream processing of all operations can best accommodate future extensions. Using JeLLyFysh, we profile the performance of ECMC for large water systems in chapter six. The resulting dynamics imply that a more sophisticated scheme is needed to equilibrate the polarization. Finally, in chapter seven, we test the sampling strategy with sequential direction change. The dipole evolution exhibits distinct dynamics, and the set of direction choices and the order to select prove both crucial in mixing the dipole's orientation

Dans cette thèse, nous discutons l'influence d'un réseau qui possède une topologie non triviale sur les propriétés collectives d'un modèle hamiltonien pour spins,le modèle $XY$, défini sur ces réseaux.Nous nous concentrons d'abord sur la topologie des chaînes régulières et du réseau Petit Monde (Small World), créé avec le modèle Watt- Strogatz.Nous contrôlons ces réseaux par deux paramètres $\gamma$, pour le nombre d' interactions et $p$, la probabilité de ré-attacher un lien aléatoirement.On définit deux mesures, le chemin moyen $\ell$ et la connectivité $C$ et nous analysons leur dépendance de $(\gamma,p)$.Ensuite,nous considérons le comportement du modèle $XY$ sur la chaîne régulière et nous trouvons deux régimes: un pour $\gamma<1,5$,qui ne présente pas d'ordre longue portée et un pour $\gamma>1,5$ où une transition de phase du second ordre apparaît.Nous observons l'existence d'un état ​​métastable pour $\gamma_ {c} = 1,5$. Sur les réseaux Petit Monde,nous illustrons les conditions pour avoir une transition et comment son énergie critique $\varepsilon_{c}(\gamma,p)$ dépend des paramètres $(\gammap$).Enfin,nous proposons un modèle de réseau où les liens d'une chaîne régulière sont ré-attachés aléatoirement avec une probabilité $p$ dans un rayon spécifique $r$. Nous identifions la dimension du réseau $d(p,r)$ comme un paramètre crucial:en le variant,il nous est possible de passer de réseaux avec $d<2$ qui ne présentent pas de transition de phase à des configurations avec $d>2$ présentant une transition de phase du second ordre, en passant par des régimes de dimension $d=2$ qui présentent des états caractérisés par une susceptibilité infinie et une dynamique chaotique
In this thesis we discuss the influence of a non trivial network topology on the collective properties of an Hamiltonian model defined on it, the $XY$ -rotors model. We first focus on networks topology analysis, considering the regular chain and a Small World network, created with the Watt-Strogatz model. We parametrize these topologies via $\gamma$, giving the vertex degree and $p$, the probability of rewiring. We then define two topological parameters, the average path length $\ell$and the connectivity $C$ and we analize their dependence on $\gamma$ and $p$. Secondly, we consider the behavior of the $XY$- model on the regular chain and we find two regimes: one for $\gamma<1.5$, which does not display any long-range order and one for $\gamma>1.5$ in which a second order phase transition of the magnetization arises. Moreover we observe the existence of a metastable state appearing for $\gamma_{c}=1.5$. Finally we illustrate in what conditions we retrieve the phase transition on Small World networks and how its critical energy $\varepsilon_{c}(\gamma,p)$ depends on the topological parameters $\gamma$ and $p$. In the last part, we propose a network model in which links of a regular chain are rewired according to a probability $p$ within a specific range $r$. We identify a quantity, the network dimension $d(p,r)$ as a crucial parameter. Varying this dimension we are able to cross over from topologies with $d<2$ exhibiting no phase transitions to ones with $d>2$ displaying a second order phase transition, passing by topologies with dimension $d=2$ which exhibit states characterized by infinite susceptibility and macroscopic chaotic dynamical behavior

L'objectif de ce thèse est l'étude des systèmes dynamiques avec interaction à longue portée. La complexité de leur dynamique met en évidence des propriétés contre-intuitives et inattendues, comme l'existence d'états stationnaires hors-équilibre (QSS). Dans le QSS on peut observer des propriétés particulières: chaleur spécifique négative, inéquivalence des ensembles statistiques et phénomènes d'auto-organisation. Les théories des interactions LR ont été appliquées pour décrire la dynamique des systèmes auto-gravitants, de tourbillons bidimensionnels, de systèmes avec interactions onde-particule et des plasmas chargés. Mon travail s'est tout d'abord consacré à l'extension de la solution de Lynden-Bell pour le modèle HMF, en généralisant l'analyse à des conditions initiales de «water-bag" à plusieurs niveaux, qui approchent des conditions initiales continues. En suite je me suis intéressé à la caractérisation formelle de la thermodynamique des QSS dans l'ensemble statistique canonique. En appliquant la théorie standard, il est possible de mesurer une chaleur spécifique "cinétique'' négative. Cette propriété inattendue amène à la violation du second principe de la thermodynamique. Un tel résultat nous pousse à reconsidérer l'applicabilité de la théorie thermodynamique actuelle aux systèmes LR. En suite j'ai étudié, pour le modèle α-HMF, la persistance des caractéristiques typiques du régime LR, dans le limite dynamique à courte portée. Les résultats suggèrent une généralisation de la définition des systèmes LR. Le dernier chapitre est consacré à la caractérisation d'un nouveau modèle LR, extension naturelle du précédent α-HMF et d'intérêt potentiel applicatif
The scope of this thesis is the study of systems with long-range interactions (LR). The complexity of their dynamics evidences counter-intuitive and unexpected properties, as for instance the existence of out-of-equilibrium stationary states (QSS). Considering a system in the QSS, one may observe peculiar properties, as negative specific heat, statistical ensemble inequivalence and phenomena of self-organizations. The main theories of long-range interactions have been applied to describing self-gravitating systems, two-dimensional vortices, systems with wave-particle interactions and charged plasmas. My work has been initially dedicated to extending the Lynden-Bell solution for the HMF model, generalizing the analysis to multi-level water-bag initial condition that could approximate continuous distributions. Then I concentrated to the formal characterization of the thermodynamics of QSS in the canonical statistical ensemble. By applying the standard theory, it is possible to measure negative “kinetic” specific heat. This latter unexpected property leads to a violation of the second principle of thermodynamics. Such result forces us to reconsider the applicability of the accepted thermodynamic theory to LR systems. Afterwards I studied, in the context of the α-HMF model, the persistence of the typical characteristics of the LR regime in the limit of short-range dynamics. The results obtained suggests a generalization of the definition of LR systems. The last chapter is dedicated to the characterization of a novel LR model, a natural extension of α-HMF and of potential applicability

Abstract Electrostatic interactions are very important in biomolecular systems. Electrostatic forces have received a great deal of attention due to their long-range nature and the trade-off between desolvation and interaction effects. It remains a challenging task to study and to predict the effects of electrostatic interactions in biomolecular systems. Computer simulation techniques that account for such interactions are an important tool for the study of biomolecular electrostatics. This study is largely concerned with the role of electrostatic interactions in biomolecular systems and with developing novel models to estimate the strength of such interactions. First, a novel formulation based upon continuum electrostatics to compute the electrostatic potential in and around two biomolecules in a solvent with ionic strength is presented. Many, if not all, current methods rely on the (non)linear Poisson-Boltzmann equation to include ionic strength. The present formulation, however, describes ionic strength through the inclusion of explicit ions, which considerably extends its applicability and validity range. The method relies on the boundary element method (BEM) and results in two very similar coupled integral equations valid on the dielectric boundaries of two molecules, respectively. This method can be employed to estimate the total electrostatic energy of two protein molecules at a given distance and orientation in an electrolyte solution with zero to moderately high ionic strength. Secondly, to be able to study interactions between biomolecules and membranes, an alternative model partly based upon the analytical continuum electrostatics (ACE) method has been also formulated. It is desirable to develop a method for calculating the total solvation free energy that includes both electrostatic and non-polar energies. The difference between this model and other continuum methods is that instead of determining the electrostatic potential, the total electrostatic energy of the system is calculated by integrating the energy density of the electrostatic field. This novel approach is employed for the calculation of the total solvation free energy of a system consisting of two solutes, one of which could be an infinite slab representing a membrane surface.

Le but de ce travail est de montrer la richesse des comportements magnetiques des composes rm#2x#2 (r = terre rare, m = co, ni, ru, x = si, ge). Cette richesse ne necessite pas d'autres ingredients que la presence d'interactions magnetiques a longue portee et antagonistes (frustration), et d'anisotropie magnetocristalline: l'etude de systemes de type ising, x-y ou de faible anisotropie a permis d'illustrer les differents comportements associes. En ce qui d'un moment magnetique de l'etat o vers +m ou passage de l'etat -m vers l'etat o. Les processus concerne les systemes de type ising, nous avons mis en evidence, pour la premiere fois, l'existence de phases magnetiques mixtes ou coexistent des moments nuls et non nuls dans la structure magnetique. Un nouveau type de processus metamagnetique est associer a ces phases: passage metamagnetiques dans les systemes de type ising sont analyses quantitativement par le modele de champ moyen periodique: ce modele permet d'expliquer l'origine des sauts d'aimantation associes a des retournements d'une partie des moments, avec ou sans changement de periodicite. Les effets thermiques sont analyses et montrent l'evolution du vecteur de propagation lorsque la temperature decroit: il y a blocage du vecteur de propagation vers un vecteur de propagation decrivant une structure magnetique de plus courte periode pour les transitions de phase avec changement de periodicite. L'etude de composes a base de gadolinium a permis de montrer l'existence d'une anisotropie geante des interactions d'echange. L'etude comparative des series en fonction de la substitution de la terre rare, du metal de transition ou de x a permis d'isoler les parametres pertinents qui permettent de comprendre l'evolution des proprietes magnetiques dans les series etudiees

Les gaz ou fluides de Coulomb sont composés de particules chargées couplées entre elles par interaction coulombienne à longue portée. De part la nature de ces interactions, la physique du gaz de Coulomb est très riche, comme par exemple dans des électrolytes plus ou moins complexes, mais aussi à travers l'émergence de monopôles magnétiques dans la glace de spin. Dans cette thèse nous nous intéressons au comportement hors d'équilibre des gaz de Coulomb et de la glace de spin. Au centre de cette étude se trouve le deuxième effet de Wien, qui est une croissance linéaire de la conductivité en fonction du champ électrique appliqué à un électrolyte faible. Ce phénomène est une conséquence directe de l'interaction coulombienne qui pousse les charges à se lier par paires ; le champ électrique va alors aider à dissocier ces paires et créer des charges mobiles qui amplifient la conductivité. Le deuxième effet de Wien est un processus hors-équilibre non-linéaire, remarquablement décrit par la théorie de Onsager. Nos simulations sur réseau permettent de découvrir le rôle de l'environnement ionique qui agit contre le deuxième effet de Wien, ainsi que de caractériser la mobilité du système et sa dépendance en fonction du champ externe. Les simulations nous ont aussi donné accès aux corrélations de charges qui décrivent le processus microscopique à la base de l'effet Wien. Enfin, nous regardons plus précisément le gaz émergent de monopôles dans la glace de spin, aussi appelé « magnétolyte », capable de décrire de manière remarquable les propriétés magnétiques de glace de spin. Nous décrivons la dynamique complète hors-équilibre de cette magnétolyte soumise à une forçage périodique ou une trempe dans un champ magnétique en incluant à la fois le deuxième effet de Wien et la réponse du réseau de spins qui est à la base de l'émergence des monopôles magnétiques. Tout au long, nous utilisons une simple extension des simulations de gaz de Coulomb sur réseau pour préciser nos prédictions. Il est très rare de trouver une théorie analytique du comportement hors-équilibre d'un système hautement frustré au-delà de la réponse linéaire
A Coulomb gas or fluid comprises charged particles that interact via the Coulomb interaction. Examples of a Coulombic systems include simple and complex electrolytes together with magnetic monopoles in spin ice. The long-range nature of the Coulomb interaction leads to a rich array of phenomena.This thesis is devoted to the study of the non-equilibrium behaviour of lattice based Coulomb gases and of the quasi-particle excitations in the materials known as spin ice which constitute a Coulomb gas of magnetic charges. At the centre of this study lies the second Wien effect which describes the linear increase in conductivity when an electric field is applied to a weak electrolyte. The conductivity increases due to the generation of additional mobile charges via a field-enhanced dissociation from Coulombically bound pairs.The seminal theory of Onsager gave a detailed analysis of the Wien effect. We use numerical simulations not only to confirm its validity in a lattice Coulomb gas for the first time but mainly to study its extensions due to the role of the ionic atmosphere and field-dependent mobility. The simulations also allow us to observe the microscopic correlations underlying the Wien effect.Finally, we look more closely at the emergent gas of monopoles in spin ice—the magnetolyte. The magnetic behaviour of spin ice reflects the properties of the Coulomb gas contained within. We verify the presence of the Wien effect in model spin ice and in the process predict the non-linear response when exposed to a periodic driving field, or to a field quench using Wien effect theory. We use a straightforward extension of the lattice Coulomb gas simulations to refine our predictions. It is a highly unusual result to find an analytic theory for the non-equilibrium behaviour of a highly frustrated system beyond linear response

L'objectif principal de cette thèse est l'étude des propriétés à basse énergie et température de systèmes fortement corrélés de bosons interagissant via des potentiels à portée longue et étendue, et pertinentes pour la réalisation expérimentale avec des gaz atomiques froids. Cette étude est réalisée à l'aide d'une combinaison de techniques numériques, comme le Path Integral Montecarlo et de techniques analytiques. Le principal résultat de mon travail est la démonstration de l’existence d’une phase supersolide à bandes et d’une rare transition entre différents supersolides dans un modèle à interaction finie de bosons de coer dur sur un réseau carré. J'étudie également les scénarios hors d'équilibre de tels modèles via des quenches de température simulées. Enfin, j'étudie comment la restauration de l'extensibilité énergétique dans des systèmes en interaction à longue portée peut avoir une incidence profonde sur les propriétés de basse énergie dans la limite thermodynamique
The central aim of this thesis is the study of the low-energy and low-temperature properties of strongly correlated systems of bosonic particles interacting via finite- and long-range potentials, and relevant to experimental realization with cold atomic gases. This study is carried out with a combination of state-of-the-art numerical techniques such as Path Integral Monte Carlo and analytical techniques. The main result of my work is the demonstration of the existence of a stripe supersolid phase and of a rare transition between isotropic and anisotropic supersolids in a finite-range interacting model of hard-bosons on a square lattice. I also investigate the out-of-equilibrium scenarios of such models via simulated temperature quenches. Finally, I investigate how restoring energy extensivity in long-range interacting systems can have a profound incidence on the low-energy properties in the thermodynamic limit

Desde os trabalhos de Clausius, Boltzmann e Gibbs, sabe-se que partículas que interagem através de potenciais de curto alcance alcançam, após um processo de relaxação, o estado final estacionário que corresponde ao equilíbrio termodinâmico [I]. Embora nenhuma prova exata exista para isso, na prática, verifica-se que os sistemas não-integráveis com uma energia fixa e um número finito de partículas (ensemble microcanônico, por exemplo) sempre relaxam para um estado estacionário que só depende de quantidades globais conservadas pela dinâmica: energia, momentum e momentum angular. Este estado estacionário corresponde ao estado de equilíbrio termodinâmico e não depende das especificidades da distribuição inicial de partículas. Este cenário muda drasticamente quando a interação entre as partículas passa a ser de longo alcance [2]. A descrição estatística e termodinâmica desses sistemas ainda é objeto de estudo. Contudo, o que se sabe é que esses sistemas têm como propriedade fundamental o fato de que, no limite termodinâmico o tempo de colisão diverge e o equilíbrio termodinâmico nunca é atingido [3]. Nesse trabalho analisamos do ponto de vista teórico e por simulação de dinâmica molecular o estado estacionário atingido por sistemas auto-gravitantes em uma, duas e três dimensões e plasmas não-neutros na dinâmica de um feixe de partículas carregadas. Analisamos ainda um modelo com transição de fases para o estado fora do equilíbrio (HMF). Em todos os casos a teoria proposta na tese mostrou-se consistente com os simulações numéricas empregadas.
Since the work of Clausius, Boltzmann and Gibbs, it is known that particles interacting by a short-range potential, after a relaxation process, reach a final stationary state that corresponds to thermodynamic equilibrium. Although no exact proof exists, in practice non-integrable systems with fixed energy and a finite number of particles (i.e., microcanonical ensemble) always relax to a stationary state that depends only on global quantities conserved by the dynamics: energy, momentum and angular momentum. This stationary state corresponds to the state of thermodynamic equilibrium and does not depend on the specifics of the initial particle distribution. This scenario changes drastically when the interaction between particles is longranged [2] The statistical and thermodynamic description of these systems is still an object of study. However, a fundamental property of these systems is the fact that, in the thermodynamic limit, the collision time diverges and thermodynamic equilibrium is never achieved [3].. In this thesis we analyse, from a theoretical point of view and using molecular dynamics simulations, the stationary state achieved by self-gravitating systems in one, two and three dimensions and non-neutral plasmas in the dynamics of charged particle beams. We also analyse a model with out-of-equilibrium phase transitions (HMF). In all these cases, the theory proposed in this thesis is shown to be consistent with the numerical simulations applied.

Questa tesi riguarda lo studio di perturbazioni esterne sulla dinamica di sistemi con interazione a lungo raggio. In dettaglio si descrive la teoria lineare dell'equazione di Vlasov e la risposta di sistemi fuori dall'equilibrio e in stati quasi stazionari denominati QSS. Lo studio è condotto per QSS sia omogenei che non omogenei spazialmente marcandone le differenze e le caratteristiche. Nel caso di stati non omogenei si sono mostrate alcune peculiarità e caratteristiche di sistemi fuori dall'equilibrio termodinamico. Si è infine mostrato come l'uso della teoria lineare dell'equazione di Vlasov possa essere usata per descrivere l'interazione tra un sistema grande ed uno piccolo, entrambi interagenti con forze a lungo raggio.

The role of heterogeneity in two long-range systems is explored with a focus on the interplay of this heterogeneity with the component system interactions. The first will be the heterogeneous Ising model with long-range interactions. Earthquake fault systems under long-range stress transfer with varying types of heterogeneity will be the second system of interest. First I will review the use of the intervention method to determine the time and place of nucleation and extend its use as an indicator for spinodal nucleation. The heterogeneous Ising model with fixed magnetic sites will then be reformulated as a dilute random field Ising model. This reformulation will allow for the application of spinodal nucleation theory to the heterogeneous Ising model by correcting the spinodal field and the critical exponent sigma describing the critical behavior of clusters in spinodal nucleation theory. The applicability of this correction is shown by simulations that determine the cluster scaling of the nucleating droplets near the spinodal. Having obtained a reasonable definition of the saddle point object describing the nucleation droplet, the density profile of the nucleating droplet is measured and deviations from homogeneous spinodal nucleation are found due to the excess amount of sparseness in the nucleating droplet due to the heterogeneity. Earthquake fault systems are then introduced and a connection is shown of two earthquake models. Heterogeneity is introduced in the form of asperities with the intent of modeling the effect of hard rocks on earthquake statistics. The asperities are observed to be a crucial element in explaining the behavior of aftershocks resulting in Omori's law. A second form of heterogeneity is introduced by coupling the Olami-Feder-Christensen model to an invasion percolation model for the purpose of modeling an earthquake fault system undergoing hydraulic fracturing. The ergodicty and event size statistics are explored in this extended model. The robustness of the event size statistics results are explored by allowing for the dissipation parameter in the Olami-Feder-Christensen model to vary.

archives@tulane.edu
The fundamental problem of thermalization in quantum systems with long-range interactions is a target of the present study. This problem is relevant for the vast number of phenomena ranging from thermal conductivity of materials to error propagation in quantum computers. Two types of quantum systems are studied analytically in this work with a support from numerical simulations. Spin chains with power-law interactions are chosen as an example system that represents behavior of qubits in a quantum computer while the vibrational problem with non-linear interactions is a toy model of a polymer molecule with anharmonic bonding. The analytical results developed for both models within the framework of resonant counting method allow one to predict the integrability-chaos transitions for the future experimental verification.
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Andrii Makysmov

This thesis discusses scaling and critical behavior of two different models. One model describes Ising dipoles, originates in condensed matter physics and depicts equilibrium critical phenomena. The other model, taken from the earth sciences, describes faulting instabilities and the resulting earthqnakes, and involves self-organized criticality — a nonequilibrium phenomenon. Both models are characterized by long range interactions, with a resulting sensitivity to boundary conditions. The ordering properties of Ising dipoles on lattices are studied in a mean field theory and by Monte Carlo simulations. The mean field theory is manifestly shape independent in zero external field. In the case of dipoles on a diluted lattice the mean field theory predicts a critical concentration above which the low temperature phase is ferroelectric (or anti-ferroelectric depending on the lattice structure). Extensive Monte Carlo simulation results are in agreement with those of mean field theory. We propose a finite size scaling form that includes logarithmic corrections for systems at the critical dimensionality. In the case of dipoles on a body centered tetragonal lattice we found that the finite scaling form significantly improved the data collapse over the scaling form with mean field exponents. With lattice parameters appropriate to the Ising ferromagnetic compound LiHoF4,we obtain a ferromagnetic transition temperature Tc= 1.51K in excellent agreement with experiment. This indicates that the material LiHoF4 is dominated by the dipole-dipole interaction; since in the simulations we only include dipole-dipole interactions. For dipoles on the simple cubic lattice, the ordered state is made up of anti-ferromagnetic rows. The critical exponents obtained by finite size scaling are ß~1/7,y ~ 8/7 and a ~4/7. These results are in good agreement with those of high temperature series expansions. A model of self—organized ruptures in an elastic medium is developed; and applied to earthquakes. In the model the local ruptures are represented by double couples to be consistent with elastic theory. The explicit form of this double couple source is derived. The system is driven by slowly increasing the shear stress. The model evolves towards a self-organized critical state in which the earthquake distribution follows the Gutenberg Richter law with an exponent in agreement with observational data. By modeling the local static fatigue for the rocks, we also obtained Omori’s law for the rate of aftershocks. The effects of annealing are investigated.

Μελετάµε χωρικά εντοπισµένες και χρονικά περιοδικές λύσεις σε διακριτά συστήµατα που εκτείνονται σε µία χωρική διάσταση. Αυτού του είδους οι λύσεις είναι γνωστές µε τον όρο discrete breathers (DB) ή intrinsic localized modes (ILM). Στην ελληνική ϐιϐλιογραϕία, έχουν ονοµαστεί ∆ιακριτές Πνοές. Απαραίτητα χαρακτηριστικά για την εµϕάνιση τέτοιων λύσεων είναι η ύπαρξη ενός άνω φράγµατος του γραµµικού φάσµατος καθώς και η µη γραµµικότητα των εξισώσεων κίνησης, χαρακτηριστικά που συναντάµε σε πολλά φυσικά συστήµατα. Συγκεκριμένα, ασχολούµαστε µε πλέγµατα τύπου Klein Gordon και παρουσιάσουµε μια αποδείξη ύπαρξης τέτοιων λύσεων καθώς και αριθµητικά αποτελέσµατα µελετώντας παράλληλα την ευστάθεια των περιοδικών αυτών λύσεων µέσω της ϑεωρίας Floquet. Πέραν του κλασικού µοντέλου, όπου έχουµε αλληλεπιδράσεις πλησιέστερων γειτόνων, εισάγουµε επίσης ένα νέο µοντέλο µε αλληλεπιδράσεις µακράς εµβέλειας η οποία ελέγχεται µέσω µιας παράµετρου α και µελετάµε τις επιπτώσεις που έχει η μεταβολή του εύρους αλληλεπίδρασης στον χωρικό εντοπισµό και την ευστάθεια ενός DB.
We study time-periodic and spatially localized solutions in discrete dynamical systems describing Hamiltonian lattices in one spatial dimension. These solutions are called discrete breathers (DBs) or intrinsic localized modes (ILM). Necessary conditions for their occurrence are the boundedness of the spectrum of linear oscillations of the system as well as the nonlinearity of the equations of motion. More specifically, we focus on a Klein Gordon lattice and present an existence proof for such solutions, as well as numerical results revealing the stability (or instability) of DBs using Floquet theory. Besides reporting on the classical Klein Gordon model with nearest neighbor interactions, we also introduce long range interactions in our model, which are controlled by a parameter α and study the effect of varying the range of interactions on the spatial localization and the stability of a DB.