The Chemical Percolation Devolatilization Model Applied to the Devolatilization of Coal in High Intensity Acoustic Fields

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Soliton clusters inducing insulator-to-metal transition in polyacetylene: a Su-Schrieffer-Heeger model study

The Su-Schrieffer-Heeger (SSH) Hamiltonian has been one of most used models to study the electronic structure of polyacetylene (PA) chains. It has been reported in the literature that in the SSH framework a disordered soliton distribution can not produce a metallic regime. However, in this work (using the same SSH model and parameters) we show that this is possible. The necessary conditions for true metals (non-vanishing density of states and extended wavefunctions around the Fermi level) are obtained for soliton concentration higher than 6% through soliton segregation (clustering). These results are consistent with recent experimental data supporting disorder as an essential mechanism behind the high conductivity of conducting polymers. (C) 2001 Elsevier B.V. B.V. All rights reserved.

BFFT formalism applied to the minimal chiral Schwinger model

We consider the minimal chiral Schwinger model, by embedding the gauge non-invariant formulation into a gauge theory following the Batalin-Fradkin-Fradkina-Tyutin point of view. Within the BFFT procedure, the second-class constraints are converted into strongly involutive first-class ones, leading to an extended gauge-invariant formulation. We also show that, like the standard chiral model, in the minimal chiral model the Wess-Zumino action can be obtained by performing a q-number gauge transformation into the effective gauge non-invariant action.

BRST-BFV formalism for the generalized Schwinger model

We derive the Wess-Zumino scalar term of the generalized Schwinger model both in the singular and nonsingular cases by using BRST-BFV framework. The photon propagators are also computed in the extended Lorentz gauge.

Higher spin symmetries and w∞ algebra in the conformal affine Toda model

As recently shown the conformal affine Toda models can be obtained via hamiltonian reduction from a two-loop Kac-Moody algebra. In this paper we propose a systematic procedure to analyze the higher spin symmetries of the conformal affine Toda models. The method is based on an explicit construction of infinite towers of extended conformal symmetry generators. Two fundamental building blocks of this construction are special spin-one and -two primary fields characterizing the conformal structure of these models. The connection to the algebra of area preserving diffeomorphisms on a two-manifold (w∞ algebra) is established.

Symmetries and time evolution in discrete phase spaces: a soluble model calculation

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.

Coil to extended coil transition in polygalacturonic acid: Conductometric titration and monte carlo simulations

The conformational transition from coil to extended coil for polygalacturonic acid has been studied by conductometric titrations and Monte Carlo simulations. The results of conductometric titrations at different polymer concentrations have been analyzed using the model proposed by Manning,1 which describes the conductivity of polyelectrolitic solutions. This experimental approach provides the transport factor and the average distance between charged groups at different degrees of ionization (α). The mean distances between charged groups have been compared with the values obtained by Monte Carlo simulations. In these simulations the polymer chain is modeled as a self-avoiding random walk in a cubic lattice. The monomers interact through the unscreened Coulombic potential. The ratio between the end-to-end distance and the number of ionized beads provides the average distance between charged monomers. The experimental and theoretical values are in good agreement for the whole range of ionization degrees accessed by conductometric titrations. These results suggest that the electrostatic interactions seem to be the major contribution for the coil to extended coil conformational change. The small deviations for α ≤ 0.5 suggests that the stiffness of the chain, associated with local interactions, becomes increasingly significant as the fraction of charged groups is decreased. © 2000 American Chemical Society.

Multiperiodic magnetic structures in Hubbard superlattices

We consider fermions in one-dimensional superlattices (SL's), modeled by site-dependent Hubbard-U couplings arranged in a repeated pattern of repulsive (i.e., U>0) and free (U=0) sites. Density matrix renormalization group diagonalization of finite systems is used to calculate the local moment and the magnetic structure factor in the ground state. We have found four regimes for magnetic behavior: uniform local moments forming a spin-density wave (SDW), floppy local moments with short-ranged correlations, local moments on repulsive sites forming long-period SDW's superimposed with short-ranged correlations, and local moments on repulsive sites solely with long-period SDW's; the boundaries between these regimes depend on the range of electronic densities ρ and on the SL aspect ratio. Above a critical electronic density, ρ↑↓, the SDW period oscillates both with ρ and with the spacer thickness. The former oscillation allows one to reproduce all SDW wave vectors within a small range of electronic densities, unlike the homogeneous system. The latter oscillation is related to the exchange oscillation observed in magnetic multilayers. A crossover between regimes of thin to thick layers has also been observed.

A distributed-parameters transmission line model developed directly in the phase domain

This article shows a transmission line model developed directly in the phase domain. The proposed model is based on the relationships between the phase currents and voltages at both the sending and receiving ends of a single-phase line. These relationships, established using an ABCD matrix, were extended to multi-phase lines. The proposed model was validated by using it to represent a transmission line during short-and open-circuit tests. The results obtained with the proposed model were compared with results obtained with a classical model based on modal decomposition. These comparisons show that proposed model was correctly developed. © 2013 Taylor and Francis Group, LLC.

Simulação computacional de materiais com elétrons fortemente interagentes: DMRG aplicado a super-redes Hubbard com modulação de condução entre camadas

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Search for a non-standard-model Higgs boson decaying to a pair of new light bosons in four-muon final states

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Incorporating priorities for waiting customers in the hypercube queuing model with application to an emergency medical service system in Brazil

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

On the statistical and transport properties of a non-dissipative Fermi-Ulam model

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

MOLECULAR DYNAMICS STUDIES OF SIMPLE MODEL FLUIDS AND WATER CONFINED IN CARBON NANOTUBE

Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. Traditional computational chemistry refers to quantum calculations based on solving Schrodinger equations. Later developed Density Functional Theory (DFT) based on solving Kohn-Sham equations became the more popular ab initio calculation technique which could deal with ~1000 atoms by explicitly considering electron interactions. In contrast, MD simulation based on solving classical mechanics equations of motion is a totally different technique in the field of computational chemistry. Electron interactions were implicitly included in the empirical atom-based potential functions and the system size to be investigated can be extended to ~106 atoms. The thermodynamic properties of model fluids are mainly determined by macroscopic quantities, like temperature, pressure, density. The quantum effects on thermodynamic properties like melting point, surface tension are not dominant. In this work, we mainly investigated the melting point, surface tension (liquid-vapor and liquid-solid) of model fluids including Lennard-Jones model, Stockmayer model and a couple of water models (TIP4P/Ew, TIP5P/Ew) by means of MD simulation. In addition, some new structures of water confined in carbon nanotube were discovered and transport behaviors of water and ions through nano-channels were also revealed.

An Extended Kernel for Generalized Multiple-Instance Learning

The multiple-instance learning (MIL) model has been successful in areas such as drug discovery and content-based image-retrieval. Recently, this model was generalized and a corresponding kernel was introduced to learn generalized MIL concepts with a support vector machine. While this kernel enjoyed empirical success, it has limitations in its representation. We extend this kernel by enriching its representation and empirically evaluate our new kernel on data from content-based image retrieval, biological sequence analysis, and drug discovery. We found that our new kernel generalized noticeably better than the old one in content-based image retrieval and biological sequence analysis and was slightly better or even with the old kernel in the other applications, showing that an SVM using this kernel does not overfit despite its richer representation.