Superparamagnetic Ni:SiO2-C nanocomposites films synthesized by a polymeric precursor method

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

Shape controlled synthesis of CaMoO4 thin films and their photoluminescence property

CaMoO4 (CMO) disordered and ordered thin films were prepared by the complex polymerization method (CPM). The films were annealed at different temperatures and time in a conventional resistive furnace (RF) and in a microwave (MW) oven. The microstructure and surface morphology of the structure were monitored by atomic force microscopy (AFM) and high-resolution scanning electron microscopy (HRSEM). Order and disorder were characterized by X-ray diffraction (XRD) and optical reflectance. A strong photoluminescence (PL) emission was observed in the disordered thin films and was attributed to complex cluster vacancies. The experimental results were compared with density functional and Hartree-Fock calculations. (C) 2008 Elsevier B.V. All rights reserved.

Preparation and characterization of ceria nanospheres by microwave-hydrothermal method

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

Preparation of CeO2 by a simple microwave-hydrothermal method

Cerium carbonate hydroxide (orthorhombic Ce(OH)CO3) hexagonal-shaped microplates were synthesized by a simple and fast microwave-hydrothermal method at 150 degrees C for 30 min. Cerium nitrate, urea and cetyltrimethylammonium bromide were used as precursors. Ceria (cubic CeO2) rhombus-shape was obtained by a thermal decomposition oxidation process at 500 degrees C for 1 h using as- synthesized Ce(OH)CO3. The products were characterized by X-ray powder diffraction, field-emission scanning electron microscopy, thermogravimetric analysis and Fourier transformed infrared spectroscopy. The use of microwave-hydrothermal method allowed to obtain cerium compounds at low temperature and shorter time compared to other synthesis methods. (C) 2008 Elsevier B.V. All rights reserved.

Structural refinement, growth process, photoluminescence and photocatalytic properties of (Ba1-xPr2x/3)WO4 crystals synthesized by the coprecipitation method

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

Fourth-order method for solving the Navier-Stokes equations in a constricting channel

A fourth-order numerical method for solving the Navier-Stokes equations in streamfunction/vorticity formulation on a two-dimensional non-uniform orthogonal grid has been tested on the fluid flow in a constricted symmetric channel. The family of grids is generated algebraically using a conformal transformation followed by a non-uniform stretching of the mesh cells in which the shape of the channel boundary can vary from a smooth constriction to one which one possesses a very sharp but smooth corner. The generality of the grids allows the use of long channels upstream and downstream as well as having a refined grid near the sharp corner. Derivatives in the governing equations are replaced by fourth-order central differences and the vorticity is eliminated, either before or after the discretization, to form a wide difference molecule for the streamfunction. Extra boundary conditions, necessary for wide-molecule methods, are supplied by a procedure proposed by Henshaw et al. The ensuing set of non-linear equations is solved using Newton iteration. Results have been obtained for Reynolds numbers up to 250 for three constrictions, the first being smooth, the second having a moderately sharp corner and the third with a very sharp corner. Estimates of the error incurred show that the results are very accurate and substantially better than those of the corresponding second-order method. The observed order of the method has been shown to be close to four, demonstrating that the method is genuinely fourth-order. © 1977 John Wiley & Sons, Ltd.

Combining genetic algorithm and simulated annealing: A molecular geometry optimization study

We introduce a new hybrid approach to determine the ground state geometry of molecular systems. Firstly, we compared the ability of genetic algorithm (GA) and simulated annealing (SA) to find the lowest energy geometry of silicon clusters with six and 10 atoms. This comparison showed that GA exhibits fast initial convergence, but its performance deteriorates as it approaches the desired global extreme. Interestingly, SA showed a complementary convergence pattern, in addition to high accuracy. Our new procedure combines selected features from GA and SA to achieve weak dependence on initial parameters, parallel search strategy, fast convergence and high accuracy. This hybrid algorithm outperforms GA and SA by one order of magnitude for small silicon clusters (Si6 and Si10). Next, we applied the hybrid method to study the geometry of a 20-atom silicon cluster. It was able to find an original geometry, apparently lower in energy than those previously described in literature. In principle, our procedure can be applied successfully to any molecular system. © 1998 Elsevier Science B.V.

Optimization procedures in the design of continuous induction hardening and tempering installations for magnetic steel bars

An inverse problem concerning the industrial process of steel bars hardening and tempering is considered. The associated optimization problem is formulated in terms of membership functions and, for the sake of comparison, also in terms of quadratic residuals; both geometric and electromagnetic design variables have been considered. The numerical solution is achieved by coupling a finite difference procedure for the calculation of the electromagnetic and thermal fields to a deterministic strategy of minimization based on modified Flctcher and Reeves method. © 1998 IEEE.

Structural and surface morphology characterizations of oriented LiNbO3 thin films grown by polymeric precursor method

Polymeric precursor solution was used to deposit LiNbO3 thin films by dip coating on sapphire substrates. The effects of processing variables, such as heat treatment conditions and number of deposited layers, on crystallinity and morphology of the final films were investigated. X-ray diffraction patterns show the oriented growth of the films. The rocking curves, obtained around the (006) LiNbO3 peak, revealed that the shape peak and the FWHM value were influenced by the processing variables. According to these parameters, some films presented very homogeneous dense and smooth surfaces, as shown by the SEM and AFM studies.

Effect of thermal treatment on the morphology of PLZT thin films prepared from polymeric precursor method

Lead lanthanum zirconate titanate (PLZT) thin films with (9/65/35) stoichiometry were prepared by dip coating from polymeric precursor method. The films deposited on silicon (100) substrates, were thermally treated from 450° to 700°C for 6 hours in order to study the influence of thermal treatment on the crystallinity, microstructure, grain size and roughness of the final film. X-ray diffraction results showed that PLZT phase crystallizes at low temperature (500°C) and present preferential orientation. It was observed by scanning electron microscopy (SEM) that it is possible to obtain dense thin films at temperatures around 650°C. The atomic force microscopy (AFM) studies showed that the grain size and roughness are strongly influenced by the annealing temperature.

Generalized ladder operators for shape-invariant potentials

A general form for ladder operators is used to construct a method to solve bound-state Schrödinger equations. The characteristics of supersymmetry and shape invariance of the system are the start point of the approach. To show the elegance and the utility of the method we use it to obtain energy spectra and eigenfunctions for the one-dimensional harmonic oscillator and Morse potentials and for the radial harmonic oscillator and Coulomb potentials.

Optimization of neural classifiers based on bayesian decision boundaries and idle neurons pruning

In this article we describe a feature extraction algorithm for pattern classification based on Bayesian Decision Boundaries and Pruning techniques. The proposed method is capable of optimizing MLP neural classifiers by retaining those neurons in the hidden layer that realy contribute to correct classification. Also in this article we proposed a method which defines a plausible number of neurons in the hidden layer based on the stem-and-leaf graphics of training samples. Experimental investigation reveals the efficiency of the proposed method. © 2002 IEEE.

Optimization of neutral hydrolysis reaction of post-consumer PET for chemical recycling

The neutral hydrolysis reaction of post-consumer poly(ethylene terephthalate) in solid state was studied through the reaction of the polymer with water at the molar ratio 1:91 with autogenous pressure. Two sizes of post-consumer PET flakes and temperatures of 135 °C, 170°C and 205°C with pressures of 4.0 atm, 7.5 atm and 13.5 atm, respectively, were considered. With reaction time equal to 6h, the method reached 99% depolymerization at 205°C, 8.2% at 170 °C and 1.7% at 135°C. The reaction extension was measured by separating the terephthalic acid formed in the process and calculating by gravimetry how much material could still be reacted. Through the viscosimetry of diluted, solutions and the counting of carboxylic end groups in the remaining material from the gravimetric assay, it was possible to suggest that the reaction occurs randomly and in the whole volume of the polymeric particle and not solely on the surface. The terephthalic acid obtained and then purified was characterized by elemental analysis, magnetic nuclear resonance, size and panicle size distribution and spectrophotometry in the visible spectrum, and it was similar to the petrochemical equivalent, with purity recorded in carbon base equal to 99.9%.

Modified barrier method for optimal power flow problem

In this paper is presented a new approach for optimal power flow problem. This approach is based on the modified barrier function and the primal-dual logarithmic barrier method. A Lagrangian function is associated with the modified problem. The first-order necessary conditions for optimality are fulfilled by Newton's method, and by updating the barrier terms. The effectiveness of the proposed approach has been examined by solving the Brazilian 53-bus, IEEE118-bus and IEEE162-bus systems.

Method for estimating railroad track settlements due to dynamic traffic loads

This paper is the result of real-scale physical modeling study designed to simulate the load-deformation characteristics of railroad foundation systems that include the railroad ties, the ballast, and the sub-base layers of a railroad embankment. The study presents comparisons of the application of dynamic loads of 100kN on the rails, and the resulting deformations during a 500,000 cycle testing period for three rail support systems; wood, concrete and steel. The results show that the deformation curve has an exponential shape, with the larger portion of the deformation occurring during the first 50,000 load cycles followed by a tendency to stabilize between 100,000 to 500,000 cycles. These results indicate that the critical phase of deformations of a new railroad is within the first 50,000 cycles of loading, and after that, it slowly attenuates as it approaches a stable value. The paper also presents empirically derived formulations for the estimation of the deformations of the rail supports as a result of rail traffic.