889 resultados para Path Integral, Molecular Dynamics, Statistical Mechanics


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In this paper, we analyze the rural-urban migration phenomenon as it is usually observed in economies which are in the early stages of industrialization. The analysis is conducted by means of a statistical mechanics approach which builds a computational agent-based model. Agents are placed on a lattice and the connections among them are described via an Ising-like model. Simulations on this computational model show some emergent properties that are common in developing economies, such as a transitional dynamics characterized by continuous growth of urban population, followed by the equalization of expected wages between rural and urban sectors (Harris-Todaro equilibrium condition), urban concentration and increasing of per capita income. (c) 2005 Elsevier B.V. All rights reserved.

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Using the flexibility and constructive definition of the Schwinger bases, we developed different mapping procedures to enhance different aspects of the dynamics and of the symmetries of an extended version of the two-level Lipkin model. The classical limits of the dynamics are discussed in connection with the different mappings. Discrete Wigner functions are also calculated. © 1995.

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A nonthermal quantum mechanical statistical fragmentation model based on tunneling of particles through potential barriers is studied in compact two- and three-dimensional systems. It is shown that this fragmentation dynamics gives origin to several static and dynamic scaling relations. The critical exponents are found and compared with those obtained in classical statistical models of fragmentation of general interest, in particular with thermal fragmentation involving classical processes over potential barriers. Besides its general theoretical interest, the fragmentation dynamics discussed here is complementary to classical fragmentation dynamics of interest in chemical kinetics and can be useful in the study of a number of other dynamic processes such as nuclear fragmentation. ©2000 The American Physical Society.

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We analyze the potential of the next generation of e+e- linear colliders to search for large extra dimensions via the production of fermion pairs in association with Kaluza-Klein gravitons (G), i.e., e+e- →ff̃G. This process leads to a final state exhibiting a significant amount of missing energy in addition to acoplanar lepton or jet pairs. We study in detail this reaction using the full tree level contributions due to the graviton emission and the standard model backgrounds. After choosing the cuts to enhance the signal, we show that a linear collider with a center-of-mass energy of 500 GeV will be able to probe quantum gravity scales from 0.96 (0.86) up to 4.1 (3.3) TeV at a 2 (5)σ level, depending on the number of extra dimensions. ©2001 The American Physical Society.

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The dynamics of small repulsive Bose-Einstein condensed vortex states of 85Rb atoms in a cylindrical traps with low angular momentum was studied. The time-dependent mean-field Gross-Pitaevskii equation was used for the study. The condensates collapsed and atoms ejected via explosion and a remnant condensate with a smaller number of atoms emerges that survived for a long time.

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Natural scales determine the physics of quantum few-body systems with short-range interactions. Thus, the scaling limit is found when the ratio between the scattering length and the interaction range tends to infinity, while the ratio between the physical scales are kept fixed. From the formal point of view, the relation of the scaling limit and the renormalization aspects of a few-body model with a zero-range interaction, through the derivation of subtracted three-body T-matrix equations that are renormalization-group invariant.

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Through the analyses of the Miyazawa-Jernigan matrix it has been shown that the hydrophobic effect generates the dominant driving force for protein folding. By using both lattice and off-lattice models, it is shown that hydrophobic-type potentials are indeed efficient in inducing the chain through nativelike configurations, but they fail to provide sufficient stability so as to keep the chain in the native state. However, through comparative Monte Carlo simulations, it is shown that hydrophobic potentials and steric constraints are two basic ingredients for the folding process. Specifically, it is shown that suitable pairwise steric constraints introduce strong changes on the configurational activity, whose main consequence is a huge increase in the overall stability condition of the native state; detailed analysis of the effects of steric constraints on the heat capacity and configurational activity are provided. The present results support the view that the folding problem of globular proteins can be approached as a process in which the mechanism to reach the native conformation and the requirements for the globule stability are uncoupled.

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The pion electromagnetic form factor is calculated in the space- and time-like regions from -10 (GeV/c)2 up to 10 (GeV/c)2, within a front-form model. The dressed photon vertex where a photon decays in a quark-antiquark pair is depicted generalizing the vector meson dominance ansatz, by means of the vector meson vertex functions. An important feature of our model is the description of the on-mass-shell vertex functions in the valence sector, for the pion and the vector mesons, through the front-form wave functions obtained within a realistic quark model. The theoretical results show an excellent agreement with the data in the space-like region, while in the time-like region the description is quite encouraging. © 2003 Elsevier B.V. All rights reserved.

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We consider a charged Brownian gas under the influence of external and non-uniform electric, magnetic and mechanical fields, immersed in a non-uniform bath temperature. With the collision time as an expansion parameter, we study the solution to the associated Kramers equation, including a linear reactive term. To the first order we obtain the asymptotic (overdamped) regime, governed by transport equations, namely: for the particle density, a Smoluchowski- reactive like equation; for the particle's momentum density, a generalized Ohm's-like equation; and for the particle's energy density, a MaxwellCattaneo-like equation. Defining a nonequilibrium temperature as the mean kinetic energy density, and introducing Boltzmann's entropy density via the one particle distribution function, we present a complete thermohydrodynamical picture for a charged Brownian gas. We probe the validity of the local equilibrium approximation, Onsager relations, variational principles associated to the entropy production, and apply our results to: carrier transport in semiconductors, hot carriers and Brownian motors. Finally, we outline a method to incorporate non-linear reactive kinetics and a mean field approach to interacting Brownian particles. © 2011 Elsevier B.V. All rights reserved.

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Rare collisions of a classical particle bouncing between two walls are studied. The dynamics is described by a two-dimensional, nonlinear and area-preserving mapping in the variables velocity and time at the instant that the particle collides with the moving wall. The phase space is of mixed type preventing diffusion of the particle to high energy. Successive and therefore rare collisions are shown to have a histogram of frequency which is scaling invariant with respect to the control parameters. The saddle fixed points are studied and shown to be scaling invariant with respect to the control parameters too. © 2012 Elsevier B.V. All rights reserved.

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We show that self-localized ground states can be created in the spin-balanced gas of fermions with repulsion between the spin components, whose strength grows from the center to periphery, in combination with the harmonic-oscillator (HO) trapping potential acting in one or two transverse directions. We also consider the ground state in the noninteracting Fermi gas under the action of the spatially growing tightness of the one- or two-dimensional (1D or 2D) HO confinement. These settings are considered in the framework of the Thomas-Fermi-von Weizsäcker (TF-vW) density functional. It is found that the vW correction to the simple TF approximation (the gradient term) is nearly negligible in all situations. The properties of the ground state under the action of the 2D and 1D HO confinement with the tightness growing in the transverse directions are investigated too for the Bose-Einstein condensate with the self-repulsive nonlinearity. © 2013 American Physical Society.

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There is species divergence in control of DNA methylation during preimplantation development. The exact pattern of methylation in the bovine embryo has not been established nor has its regulation by gender or maternal signals that regulate development such as colony stimulating factor 2 (CSF2). Using immunofluorescent labeling with anti-5-methylcytosine and embryos produced with X-chromosome sorted sperm, it was demonstrated that methylation decreased from the 2-cell stage to the 6-8 cell stage and then increased thereafter up to the blastocyst stage. In a second experiment, embryos of specific genders were produced by fertilization with X- or Y-sorted sperm. The developmental pattern was similar to the first experiment, but there was stage × gender interaction. Methylation was greater for females at the 8-cell stage but greater for males at the blastocyst stage. Treatment with CSF2 had no effect on labeling for DNA methylation in blastocysts. Methylation was lower for inner cell mass cells (i.e., cells that did not label with anti-CDX2) than for trophectoderm (CDX2-positive). The possible role for DNMT3B in developmental changes in methylation was evaluated by determining gene expression and degree of methylation. Steady-state mRNA for DNMT3B decreased from the 2-cell stage to a nadir for D 5 embryos >16 cells and then increased at the blastocyst stage. High resolution melting analysis was used to assess methylation of a CpG rich region in an intronic region of DNMT3B. Methylation percent decreased between the 6-8 cell and the blastocyst stage but there was no difference in methylation between ICM and TE. Results indicate that DNA methylation undergoes dynamic changes during the preimplantation period in a manner that is dependent upon gender and cell lineage. Developmental changes in expression of DNMT3B are indicative of a possible role in changes in methylation. Moreover, DNMT3B itself appears to be under epigenetic control by methylation. © 2013 Dobbs et al.

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We consider a charged Brownian gas under the influence of external, static and uniform electric and magnetic fields, immersed in a uniform bath temperature. We obtain the solution for the associated Langevin equation, and thereafter the evolution of the nonequilibrium temperature towards a nonequilibrium (hot) steady state. We apply our results to a simple yet relevant Brownian model for carrier transport in GaAs. We obtain a negative differential conductivity regime (Gunn effect) and discuss and compare our results with the experimental results. © 2013.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)