Generalized neighbor-interaction models induced by nonlinear lattices

It is shown that the tight-binding approximation of the nonlinear Schrodinger equation with a periodic linear potential and periodic in space nonlinearity coefficient gives rise to a number of nonlinear lattices with complex, both linear and nonlinear, neighbor interactions. The obtained lattices present nonstandard possibilities, among which we mention a quasilinear regime, where the pulse dynamics obeys essentially the linear Schrodinger equation. We analyze the properties of such models both in connection to their modulational stability, as well as in regard to the existence and stability of their localized solitary wave solutions.

The canonical structure of Podolsky's generalized electrodynamics on the null-plane

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Renormalizability of generalized quantum electrodynamics

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A generalized alternating-direction implicit scheme for incompressible magnetohydrodynamic viscous flows at low magnetic Reynolds number

This paper presents numerical simulations of incompressible fluid flows in the presence of a magnetic field at low magnetic Reynolds number. The equations governing the flow are the Navier-Stokes equations of fluid motion coupled with Maxwell's equations of electromagnetics. The study of fluid flows under the influence of a magnetic field and with no free electric charges or electric fields is known as magnetohydrodynamics. The magnetohydrodynamics approximation is considered for the formulation of the non-dimensional problem and for the characterization of similarity parameters. A finite-difference technique is used to discretize the equations. In particular, an extension of the generalized Peaceman and Rachford alternating-direction implicit (ADI) scheme for simulating two-dimensional fluid flows is presented. The discretized conservation equations are solved in stream function-vorticity formulation. We compare the ADI and generalized ADI schemes, and show that the latter is more efficient in simulating low Reynolds number and magnetic Reynolds number problems. Numerical results demonstrating the applicability of this technique are also presented. The simulation of incompressible magneto hydrodynamic fluid flows is illustrated by numerical solution for two-dimensional cases. (c) 2007 Elsevier B.V. All rights reserved.

Detection of volatile organic compounds using a polythiophene derivative

Conjugated polymers have been subject of great interest in the recent literature from both fundamental point of view and applied science perspective. Among the several types of conjugated polymers used in recent investigations, polythiophene and its derivatives have attracted considerable attention over the past 20 years due to their high mobility and other remarkable solid-state properties. They have potential applications in many fields, such as microelectronic devices, catalysts, organic field-effect transistors, chemical sensors, and biosensors. They have been studied as gas and volatile organic compounds (VOCs) sensors using different principles or transduction techniques, such as optical absorption, conductivity, and capacitance measurements. In this work, we report on the fabrication of gas sensors based on a conducting polymer on an interdigitated gold electrode. We use as active layer of the sensor a polythiophene derivative: poly (3-hexylthiophene) (P3HT) and analyzed its conductivity as response for exposure to dynamic flow of saturated vapors of six VOCs [n-hexane, toluene, chloroform, dichloromethane, methanol, and tetrahydrofuran (THE)]. Different responses were obtained upon exposure to all VOCs, THF gave the higher response while methanol the lower response. The influence of moisture on the measurements was also evaluated. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Light emitting diodes containing Langmuir-Blodgett films of copolymer of a poly(p-phenylene-vinylene) derivative and poly(octaneoxide)

The properties of Langmuir and Langmuir-Blodgett (LB) films from a block copolymer with polyethylene oxide and phenylene-vinylene moieties are reported. The LB films were successfully transferred onto several types of substrates, with sufficient quality to allow for evaporation of a metallic electrode on top of the LB films to produce polymer light emitting diodes (PLEDs). The photoluminescence and electroluminescence spectra of the LB film and device were similar, featuring an emission at ca. 475 nm, from which we could infer that the emission mechanisms are essentially the same as in poly(p-phenylene) derivatives. Analogously to other PLEDs the current versus voltage characteristics of the LB-based device could be explained with the Arkhipov model according to which charge transport occurs among localized sites. The implications for nanotechnology of the level of control that may be achieved with LB devices will also be discussed.

Approximations for the generalized temperature integral: a method based on quadrature rules

The generalized temperature integral I(m, x) appears in non-isothermal kinetic analysis when the frequency factor depends on the temperature. A procedure based on Gaussian quadrature to obtain analytical approximations for the integral I(m, x) was proposed. The results showed good agreement between the obtained approximation values and those obtained by numerical integration. Unless other approximations found in literature, the methodology presented in this paper can be easily generalized in order to obtain approximations with the maximum of accurate.

Peak Separation by Derivative Spectroscopy Applied to FTIR Analysis of Hydrolized Silica

Reliable spectral analysis is only achieved if the spectrum is thoroughly investigated in regard to all hidden and overlapped peaks. This paper describes the steps undertaken to find and separate such peaks in the range of 3000 to 4000 cm(-1) in the case of three different infrared absorption spectra of the glass surface of hydrolyzed silica optical fibers. Peak finding was done by the analysis of the second and fourth derivatives of the digital data, coupled with the available knowledge of infrared spectroscopy of silica-water interaction in the investigated range. Peak separation was accomplished by curve fitting with four different models. The model with the best fit was described by a sum of pure Gaussian peaks. Shoulder limit and detection limit maps were used to validate the revealed spectral features.

Hq(4) symmetry: the linear q-harmonic oscillator based on generalized irreps of the q-deformed Heisenberg algebra

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Febrifugine derivative antimalarial activity: quantum mechanical predictors

O desenvolvimento de linhagens resistentes de Plasmodium falciparum tem encorajado a busca por novas drogas antimalariais. A febrifugina é uma substância natural com alta atividade contra o P. falciparum que apresenta propriedade emética e toxicidade para o fígado tal que não permitem o seu uso clínico. A busca por análogos que possam ter uma performance clínica melhor é um tema de pesquisa atual. Nosso objetivo é investigar a estrutura eletrônica teórica de uma família de derivados da febrifugina empregando cálculos semi-empíricos de orbitais moleculares, procurando por índices eletrônicos que possam ajudar a modelar novos derivados mais eficientes. Os resultados teóricos mostram que para as moléculas mais seletivas existe um agrupamento dos valores de determinados índices em intervalos bem definidos. O modelo proposto para se obter alta seletividade foi testado com sucesso.

The use of Langmuir-Blodgett films of a perylene derivative and polypyrrole in the detection of trace levels of Cu2+ ions

Langmuir films of a tetracarboxylic perylene derivative and polypyrrole display condensed surface pressure isotherms that are shifted when Cu2+ ions are added to the ultrapure water subphase. These films were transferred onto interdigitated gold electrodes leading to Y-type Langmuir-Blodgett (LB) films. The electrodes modified with 5-layer LB films were immersed into a flask with ultrapure water and water containing Cu2+ ions at concentrations ranging from mM to muM. Impedance measurements indicated a distinct electrical response for the two types of films. Although the materials chosen have no specificity for ionic metals, they can be combined for detecting trace levels of Cu2+, which may be exploited in water quality monitoring. (C) 2004 Elsevier B.V. All rights reserved.

Using error bounds to compare aggregated generalized transportation models

A comparative study of aggregation error bounds for the generalized transportation problem is presented. A priori and a posteriori error bounds were derived and a computational study was performed to (a) test the correlation between the a priori, the a posteriori, and the actual error and (b) quantify the difference of the error bounds from the actual error. Based on the results we conclude that calculating the a priori error bound can be considered as a useful strategy to select the appropriate aggregation level. The a posteriori error bound provides a good quantitative measure of the actual error.

REDUCTION OF TODA LATTICE HIERARCHY TO GENERALIZED KDV HIERARCHIES AND THE 2-MATRIX MODEL

Toda lattice hierarchy and the associated matrix formulation of the 2M-boson KP hierarchies provide a framework for the Drinfeld-Sokolov reduction scheme realized through Hamiltonian action within the second KP Poisson bracket. By working with free currents, which Abelianize the second KP Hamiltonian structure, we are able to obtain a unified formalism for the reduced SL(M + 1, M - k) KdV hierarchies interpolating between the ordinary KP and KdV hierarchies. The corresponding Lax operators are given as superdeterminants of graded SL(M + 1, M - k) matrices in the diagonal gauge and we describe their bracket structure and field content. In particular, we provide explicit free field representations of the associated W(M, M - k) Poisson bracket algebras generalising the familiar nonlinear W-M+1 algebra. Discrete Backlund transformations for SL(M + 1, M - k) KdV are generated naturally from lattice translations in the underlying Toda-like hierarchy. As an application we demonstrate the equivalence of the two-matrix string model to the SL(M + 1, 1) KdV hierarchy.

Non-newtonian heat transfer on a plate heat exchanger with generalized configurations

For the configuration optimization of plate heat exchangers (PHEs), the mathematical models for heat transfer and pressure drop must be valid for a wide range of operational conditions of all configurations of the exchanger or the design results may be compromised. In this investigation, the thermal model of a PHE is adjusted to fit experimental data obtained from non-Newtonian heat transfer for eight different configurations, using carboxymethylcellulose solutions (CMC) as test fluid. Although it is possible to successfully adjust the model parameters, Newtonian and non-Newtonian heat transfer cannot be represented by a single generalized correlation. In addition, the specific heat, thermal conductivity and power-law rheological parameters of CMC solutions were correlated with temperature, over a range compatible with a continuous pasteurization process.

Aggregation in the generalized transportation problem

Aggregation disaggregation is used to reduce the analysis of a large generalized transportation problem to a smaller one. Bounds for the actual difference between the aggregated objective and the original optimal value are used to quantify the error due to aggregation and estimate the quality of the aggregation. The bounds can be calculated either before optimization of the aggregated problem (a priori) or after (a posteriori). Both types of the bounds are derived and numerically compared. A computational experiment was designed to (a) study the correlation between the bounds and the actual error and (b) quantify the difference of the error bounds from the actual error. The experiment shows a significant correlation between some a priori bounds, the a posteriori bounds and the actual error. These preliminary results indicate that calculating the a priori error bound is a useful strategy to select the appropriate aggregation level, since the a priori bound varies in the same way that the actual error does. After the aggregated problem has been selected and optimized, the a posteriori bound provides a good quantitative measure for the error due to aggregation.