968 resultados para pair-correlation functions
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A metodologia tradicional de identificação de parâmetros na análise modal de estruturas é realizada a partir de sinais medidos de força de entrada e de movimento de resposta da estrutura em condições laboratoriais controladas. Entretanto, quando é necessária a obtenção dos parâmetros modais de estruturas de máquinas em operação, as condições para controlar e medir a excitação nestas situações impossibilita a realização da análise modal tradicional. Neste caso, o teste modal é realizado utilizando somente dados de resposta do sistema. A Análise Modal Operacional (AMO) é um método de extração modal em que nenhuma excitação artificial necessita ser aplicada ao sistema, utilizando-se a própria excitação operacional como entrada para medição da resposta do sistema. A técnica clássica de Análise Modal Operacional NExT considera, para isso, que a excitação operacional do sistema seja um ruído branco. Esta técnica faz a consideração de que as funções de correlação obtidas de estruturas podem ser consideradas como funções de resposta ao impulso e então métodos tradicionais de identificação modal no domínio do tempo podem ser empregados. Entretanto, caso a excitação operacional contenha componentes harmônicos que se sobressaiam, estes podem ser confundidos como modos naturais do sistema. Neste trabalho é demonstrada que através da função densidade de probabilidade da banda estreita contendo o pico de um modo, é possível identifica-lo como natural ou operacional (proveniente da excitação operacional da estrutura). É apresentada também uma modificação no método de identificação modal Exponencial Complexa Mínimos Quadrados (LSCE), passando a considerar sinais harmônicos de freqüências conhecidas presentes na excitação operacional, em um ensaio utilizando a técnica NExT. Para validação desses métodos, utiliza-se um modelo teórico de parâmetros modais conhecidos analiticamente e como estudo de caso experimental, um sistema formado por uma viga bi-apoiada suportando um motor elétrico com desbalanceamento de massa.
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Using an effective two-body interaction potential, a molecular dynamics study of the structural properties of amorphous ZrF4 phase is presented. The effective pair potential includes steric repulsion, Coulomb interaction due to charge transfer, and charge-dipole interaction due to the large electronic polarizability of anions. The results for structural correlations, such as pair distribution functions, coordination numbers, and bond angle distributions are presented. Excellent agreement is obtained by comparing experimental X-ray diffraction and the simulated static X-ray structure factor. © 1993.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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A novel method to probe the diverse phases for the extended Hubbard model (EHM), including the correlated hopping term, is presented. We extend an effective medium approach [1] to a bipartite lattice, allowing for charge- and/or spin-ordered phases. We calculate the necessary correlation functions to build the EHM phase diagram.
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Masticatory muscle contraction causes both jaw movement and tissue deformation during function. Natural chewing data from 25 adult miniature pigs were studied by means of time series analysis. The data set included simultaneous recordings of electromyography (EMG) from bilateral masseter (MA), zygomaticomandibularis (ZM) and lateral pterygoid muscles, bone surface strains from the left squamosal bone (SQ), condylar neck (CD) and mandibular corpus (MD), and linear deformation of the capsule of the jaw joint measured bilaterally using differential variable reluctance transducers. Pairwise comparisons were examined by calculating the cross-correlation functions. Jaw-adductor muscle activity of MA and ZM was found to be highly cross-correlated with CD and SQ strains and weakly with MD strain. No muscle’s activity was strongly linked to capsular deformation of the jaw joint, nor were bone strains and capsular deformation tightly linked. Homologous muscle pairs showed the greatest synchronization of signals, but the signals themselves were not significantly more correlated than those of non-homologous muscle pairs. These results suggested that bone strains and capsular deformation are driven by different mechanical regimes. Muscle contraction and ensuing reaction forces are probably responsible for bone strains, whereas capsular deformation is more likely a product of movement.
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Time correlation functions of current fluctuations were calculated by molecular dynamics (MD) simulations in order to investigate sound waves of high wavevectors in the glass-forming liquid Ca(NO3)(2)center dot 4H(2)O. Dispersion curves, omega(k), were obtained for longitudinal (LA) and transverse acoustic (TA) modes, and also for longitudinal optic (LO) modes. Spectra of LA modes calculated by MD simulations were modeled by a viscoelastic model within the memory function framework. The viscoelastic model is used to rationalize the change of slope taking place at k similar to 0.3 angstrom(-1) in the omega(k) curve of acoustic modes. For still larger wavevectors, mixing of acoustic and optic modes is observed. Partial time correlation functions of longitudinal mass currents were calculated separately for the ions and the water molecules. The wavevector dependence of excitation energies of the corresponding partial LA modes indicates the coexistence of a relatively stiff subsystem made of cations and anions, and a softer subsystem made of water molecules. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4751548]
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An overview is given of the limitations of Luttinger liquid theory in describing the real time equilibrium dynamics of critical one-dimensional systems with nonlinear dispersion relation. After exposing the singularities of perturbation theory in band curvature effects that break the Lorentz invariance of the Tomonaga-Luttinger model, the origin of high frequency oscillations in the long time behaviour of correlation functions is discussed. The notion that correlations decay exponentially at finite temperature is challenged by the effects of diffusion in the density-density correlation due to umklapp scattering in lattice models.
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We study the coincidence theory of maps between two manifolds of the same dimension from an axiomatic viewpoint. First we look at coincidences of maps between manifolds where one of the maps is orientation true, and give a set of axioms such that characterizes the local index (which is an integer valued function). Then we consider coincidence theory for arbitrary pairs of maps between two manifolds. Similarly we provide a set of axioms which characterize the local index, which in this case is a function with values in Z circle plus Z(2). We also show in each setting that the group of values for the index (either Z or Z circle plus Z(2)) is determined by the axioms. Finally, for the general case of coincidence theory for arbitrary pairs of maps between two manifolds we provide a set of axioms which characterize the local Reidemeister trace which is an element of an abelian group which depends on the pair of functions. These results extend known results for coincidences between orientable differentiable manifolds. (C) 2012 Elsevier B.V. All rights reserved.
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Da ormai sette anni la stazione permanente GPS di Baia Terranova acquisisce dati giornalieri che opportunamente elaborati consentono di contribuire alla comprensione della dinamica antartica e a verificare se modelli globali di natura geofisica siano aderenti all’area di interesse della stazione GPS permanente. Da ricerche bibliografiche condotte si è dedotto che una serie GPS presenta molteplici possibili perturbazioni principalmente dovute a errori nella modellizzazione di alcuni dati ancillari necessari al processamento. Non solo, da alcune analisi svolte, è emerso come tali serie temporali ricavate da rilievi geodetici, siano afflitte da differenti tipologie di rumore che possono alterare, se non opportunamente considerate, i parametri di interesse per le interpretazioni geofisiche del dato. Il lavoro di tesi consiste nel comprendere in che misura tali errori, possano incidere sui parametri dinamici che caratterizzano il moto della stazione permanente, facendo particolare riferimento alla velocità del punto sul quale la stazione è installata e sugli eventuali segnali periodici che possono essere individuati.
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The aim of this work is to put forward a statistical mechanics theory of social interaction, generalizing econometric discrete choice models. After showing the formal equivalence linking econometric multinomial logit models to equilibrium statical mechanics, a multi- population generalization of the Curie-Weiss model for ferromagnets is considered as a starting point in developing a model capable of describing sudden shifts in aggregate human behaviour. Existence of the thermodynamic limit for the model is shown by an asymptotic sub-additivity method and factorization of correlation functions is proved almost everywhere. The exact solution for the model is provided in the thermodynamical limit by nding converging upper and lower bounds for the system's pressure, and the solution is used to prove an analytic result regarding the number of possible equilibrium states of a two-population system. The work stresses the importance of linking regimes predicted by the model to real phenomena, and to this end it proposes two possible procedures to estimate the model's parameters starting from micro-level data. These are applied to three case studies based on census type data: though these studies are found to be ultimately inconclusive on an empirical level, considerations are drawn that encourage further refinements of the chosen modelling approach, to be considered in future work.
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A path integral simulation algorithm which includes a higher-order Trotter approximation (HOA)is analyzed and compared to an approach which includes the correct quantum mechanical pair interaction (effective Propagator (EPr)). It is found that the HOA algorithmconverges to the quantum limit with increasing Trotter number P as P^{-4}, while the EPr algorithm converges as P^{-2}.The convergence rate of the HOA algorithm is analyzed for various physical systemssuch as a harmonic chain,a particle in a double-well potential, gaseous argon, gaseous helium and crystalline argon. A new expression for the estimator for the pair correlation function in the HOA algorithm is derived. A new path integral algorithm, the hybrid algorithm, is developed.It combines an exact treatment of the quadratic part of the Hamiltonian and thehigher-order Trotter expansion techniques.For the discrete quantum sine-Gordon chain (DQSGC), it is shown that this algorithm works more efficiently than all other improved path integral algorithms discussed in this work. The new simulation techniques developed in this work allow the analysis of theDQSGC and disordered model systems in the highly quantum mechanical regime using path integral molecular dynamics (PIMD)and adiabatic centroid path integral molecular dynamics (ACPIMD).The ground state phonon dispersion relation is calculated for the DQSGC by the ACPIMD method.It is found that the excitation gap at zero wave vector is reduced by quantum fluctuations. Two different phases exist: One phase with a finite excitation gap at zero wave vector, and a gapless phase where the excitation gap vanishes.The reaction of the DQSGC to an external driving force is analyzed at T=0.In the gapless phase the system creeps if a small force is applied, and in the phase with a gap the system is pinned. At a critical force, the systems undergo a depinning transition in both phases and flow is induced. The analysis of the DQSGC is extended to models with disordered substrate potentials. Three different cases are analyzed: Disordered substrate potentials with roughness exponent H=0, H=1/2,and a model with disordered bond length. For all models, the ground state phonon dispersion relation is calculated.
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Kolloidale Suspensionen aus identischen kugelförmigen, geladenen Partikeln in wässrigen Medien stellen ein ideales Modellsystem zur Untersuchung des Gleichgewichtsverhaltens, aber auch des Nicht-Gleichgewichtsverhaltens Weicher Materie dar. So bilden derartige Systeme bei hinreichend starker und langreichweitiger elektrostatischer Repulsion fluid und kristallin geordnete Strukturen aus, die wegen der weitreichenden Analogie zu atomar kondensierter Materie als kolloidale Fluide und Kristalle bezeichnet werden. Von großem Vorteil ist dabei die Möglichkeit zur kontrollierten Einstellung der Wechselwirkung und die gute optische Zugänglichkeit für Mikroskopie und Lichtstreuung sowie die Weichheit der Materialien, aufgrund derer sich auch Zustände fernab des mechanischen Gleichgewichts gezielt präparieren lassen. Themenstellung der vorliegenden Arbeit ist die Untersuchung des Phasenverhaltens und der Fließmechanismen kolloidaler Kristalle in einer Rohrströmung. Im ersten Teil der Arbeit wird gezeigt, dass beim Fluss durch eine zylindrische Röhre Mehrphasenkoexistenz auftritt, wobei ein polykristalliner Kern von einer isotropen Scherschmelze umgeben ist. Zusätzlich treten an der Grenze zwischen diesen Phasen und an der Rohrwand Phasen hexagonal geordneter übereinander hinweggleitender Lagen auf. Der Vergleich zwischen auf der Basis der Navier-Stokes-Gleichung theoretisch berechneten und gemessenen Geschwindigkeitsprofilen zeigt, dass jede dieser Phasen für sich Newtonsches Fließverhalten aufweist. Die Gesamtviskosität ist hingegen durch die mit dem Durchsatz veränderliche Phasenzusammensetzung Nicht-Newtonsch. Damit gelang es, die erstmalig von Würth beschriebene Scherverdünnung auf eine Veränderung der Phasenzusammensetzung zurückzuführen. Im zweiten Teil der Arbeit wurde erstmals das Fließverhalten der Lagenphasen mittels Lichtstreuung und Korrelationsanalyse untersucht. Dafür wurde ein im Prinzip einfacher, aber leistungsstarker Aufbau realisiert, der es erlaubt, die zeitliche Veränderung der Bragg-Reflexe der Lagenphase in radialer und azimutaler Richtung zu verfolgen und mittels Fourieranalyse zu analysieren. In Abhängigkeit vom Durchsatz geht die zunächst rastend gleitende Lagenphase in eine frei gleitende Lagenphase über, wobei charakteristische Veränderungen der Spektren sowie der Korrelationsfunktionen auftreten, die detailliert diskutiert werden. Der Übergang im Gleitmechanismus ist mit einem Verlust der Autokorrelation der Rotationskomponente der periodischen Intra-Lagenverzerrung verbunden, während die Kompressionskomponente erhalten bleibt. Bei hohen Durchflüssen lassen die Reflexbewegungen auf das Auftreten einer Eigenschwingung der frei gleitenden Lagen schließen. Diese Schwingung lässt sich als Rotationsbewegung, gekoppelt mit einer transversalen Auslenkung in Vortexrichtung, beschreiben. Die Ergebnisse erlauben eine detaillierte Diskussion von verschiedenen Modellvorstellungen anderer Autoren.
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Diese Arbeit beschäftigt sich mit Strukturbildung im schlechten Lösungsmittel bei ein- und zweikomponentigen Polymerbürsten, bei denen Polymerketten durch Pfropfung am Substrat verankert sind. Solche Systeme zeigen laterale Strukturbildungen, aus denen sich interessante Anwendungen ergeben. Die Bewegung der Polymere erfolgt durch Monte Carlo-Simulationen im Kontinuum, die auf CBMC-Algorithmen sowie lokalen Monomerverschiebungen basieren. Eine neu entwickelte Variante des CBMC-Algorithmus erlaubt die Bewegung innerer Kettenteile, da der bisherige Algorithmus die Monomere in Nähe des Pfropfmonomers nicht gut relaxiert. Zur Untersuchung des Phasenverhaltens werden mehrere Analysemethoden entwickelt und angepasst: Dazu gehören die Minkowski-Maße zur Strukturuntersuchung binären Bürsten und die Pfropfkorrelationen zur Untersuchung des Einflusses von Pfropfmustern. Bei einkomponentigen Bürsten tritt die Strukturbildung nur beim schwach gepfropften System auf, dichte Pfropfungen führen zu geschlossenen Bürsten ohne laterale Struktur. Für den graduellen Übergang zwischen geschlossener und aufgerissener Bürste wird ein Temperaturbereich bestimmt, in dem der Übergang stattfindet. Der Einfluss des Pfropfmusters (Störung der Ausbildung einer langreichweitigen Ordnung) auf die Bürstenkonfiguration wird mit den Pfropfkorrelationen ausgewertet. Bei unregelmäßiger Pfropfung sind die gebildeten Strukturen größer als bei regelmäßiger Pfropfung und auch stabiler gegen höhere Temperaturen. Bei binären Systemen bilden sich Strukturen auch bei dichter Pfropfung aus. Zu den Parametern Temperatur, Pfropfdichte und Pfropfmuster kommt die Zusammensetzung der beiden Komponenten hinzu. So sind weitere Strukturen möglich, bei gleicher Häufigkeit der beiden Komponenten bilden sich streifenförmige, lamellare Muster, bei ungleicher Häufigkeit formt die Minoritätskomponente Cluster, die in der Majoritätskomponente eingebettet sind. Selbst bei gleichmäßig gepfropften Systemen bildet sich keine langreichweitige Ordnung aus. Auch bei binären Bürsten hat das Pfropfmuster großen Einfluss auf die Strukturbildung. Unregelmäßige Pfropfmuster führen schon bei höheren Temperaturen zur Trennung der Komponenten, die gebildeten Strukturen sind aber ungleichmäßiger und etwas größer als bei gleichmäßig gepfropften Systemen. Im Gegensatz zur self consistent field-Theorie berücksichtigen die Simulationen Fluktuationen in der Pfropfung und zeigen daher bessere Übereinstimmungen mit dem Experiment.
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In this thesis we will investigate some properties of one-dimensional quantum systems. From a theoretical point of view quantum models in one dimension are particularly interesting because they are strongly interacting, since particles cannot avoid each other in their motion, and you we can never ignore collisions. Yet, integrable models often generate new and non-trivial solutions, which could not be found perturbatively. In this dissertation we shall focus on two important aspects of integrable one- dimensional models: Their entanglement properties at equilibrium and their dynamical correlators after a quantum quench. The first part of the thesis will be therefore devoted to the study of the entanglement entropy in one- dimensional integrable systems, with a special focus on the XYZ spin-1/2 chain, which, in addition to being integrable, is also an interacting model. We will derive its Renyi entropies in the thermodynamic limit and its behaviour in different phases and for different values of the mass-gap will be analysed. In the second part of the thesis we will instead study the dynamics of correlators after a quantum quench , which represent a powerful tool to measure how perturbations and signals propagate through a quantum chain. The emphasis will be on the Transverse Field Ising Chain and the O(3) non-linear sigma model, which will be both studied by means of a semi-classical approach. Moreover in the last chapter we will demonstrate a general result about the dynamics of correlation functions of local observables after a quantum quench in integrable systems. In particular we will show that if there are not long-range interactions in the final Hamiltonian, then the dynamics of the model (non equal- time correlations) is described by the same statistical ensemble that describes its statical properties (equal-time correlations).
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We obtain the exact time-dependent Kohn-Sham potentials Vks for 1D Hubbard chains, driven by a d.c. external field, using the time-dependent electron density and current density obtained from exact many-body time-evolution. The exact Vxc is compared to the adiabatically-exact Vad-xc and the “instantaneous ground state” Vigs-xc. The effectiveness of these two approximations is analyzed. Approximations for the exchange-correlation potential Vxc and its gradient, based on the local density and on the local current density, are also considered and both physical quantities are observed to be far outside the reach of any possible local approximation. Insight into the respective roles of ground-state and excited-state correlation in the time-dependent system, as reflected in the potentials, is provided by the pair correlation function.