Basis sets applied to the theoretical study of the vibrational structure of hexaaquaaluminum(III) ion

Gaussian basis sets were developed with the Generator Coordinate Hartree-Fock (GCHF) method for the atoms from H (14s), O (23s16p), and Al (29sl9p) in the ground state. These basis sets were then contracted to 3s (12,1,1), 5s3p (18,2,1,1,1/14,1,1), and 7s5p (20,3,2,1,1,1,1/14,2,1,1,1) for H, O and Al atoms, respectively, by a standard procedure. The quality of contracted basis sets in molecular calculations was evaluated through studies of the total and orbital (epsilon(HOMO) and epsilon(HOMO-1)) energies at the HF level for the hexaaquaaluminum(III) ion, [AI(H(2)O)(6)](3+). For the O atom, the 5s3p was supplemented with d polarization function and it was used in combination with 3s, and 7s5p for H and Al atoms was used to the theoretical interpretation of the Infrared (IR) spectrum of hexaaquaaluminum(III) ion. The calculations of the IR-spectrum were also performed at the HF level and it showed that the basis sets obtained with the aid of GCHF method lead to the selection of useful contracted Gaussian basis sets for the theoretical study of vibrational property of ionic specie of our interest. (C) 2004 Elsevier B.V. All rights reserved.

The element-free Galerkin method applied to the study of fully developed magnetohydrodynamic duct flows

In this paper, the meshless method is introduced to magnetohydrodynamics. A numerical scheme based on the element-free Galerkin method is used to solve the laminar steady-state two-dimensional fully developed magnetohydrodynamic flow in a rectangular duct. Accurate and convergent solutions are achieved for low to moderately high Hartmann numbers.

Remote sensing techniques applied to slope failure analysis

The paper evaluates the applicability of products of remote sensing in studies related to the structural conditionings of slope stability in saprolites, usually conducted through field surveys. In this article we use a regional approach concentrating on an area of lane duplication of a major highway. In that area, resistance reduction to stress and the low cohesions of muscovite saprolites - schists and gneiss which are associated to geological discontinuities, all result in inumerous instabilities. The joints and foliations were extracted from satellite images as well as aerial photographs. Following that, the study area was divided into various sectors based on the directions and dips of the foliation. Different relationships between the structures and the slopes were analyzed in order to indicate the most feasible type of slope failure in each sector of analysis. The aim of the study is to subsidize further detailed future research.

Thermogravimetry (TG) applied to the study of the reaction of mercury with platinum-rhodium alloy

Thermogravimetry (TG) energy dispersive X-ray microanalysis (EDX), scanning electron microscopy (SEM), mapping surface, X-ray diffraction (XRD), inductively coupled plasma emission spectroscopy and atomic spectroscopy with cold vapor generation have been used to study the reaction of mercury with platinum-rhodium (Pt-Rh) alloy. The results suggest that, the electrodeposited Hg film reacts with Pt-Rh to form intermetallic compounds of different stability, when heated indicated by at least four weight loss steps. Intermetallic compounds as PtHg4 and PtHg2 was characterized by XRD. These intermetallic compound are the main product presents on the surface of the samples after remotion of the bulk mercury via thermal desorption techniques. (C) 2002 Elsevier B.V. B.V. All rights reserved.

The Meaningful Fractal Fuzzy Dimension Applied to the Design of Self Organizing Maps

This paper presents the principal results of a detailed study about the use of the Meaningful Fractal Fuzzy Dimension measure in the problem in determining adequately the topological dimension of output space of a Self-Organizing Map. This fractal measure is conceived by combining the Fractals Theory and Fuzzy Approximate Reasoning. In this work this measure was applied on the dataset in order to obtain a priori knowledge, which is used to support the decision making about the SOM output space design. Several maps were designed with this approach and their evaluations are discussed here.

Morse basis expansion applied to diatomic molecules

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

Using traditional heuristic algorithms on an initial genetic algorithm population applied to the transmission expansion planning problem

This paper analyses the impact of choosing good initial populations for genetic algorithms regarding convergence speed and final solution quality. Test problems were taken from complex electricity distribution network expansion planning. Constructive heuristic algorithms were used to generate good initial populations, particularly those used in resolving transmission network expansion planning. The results were compared to those found by a genetic algorithm with random initial populations. The results showed that an efficiently generated initial population led to better solutions being found in less time when applied to low complexity electricity distribution networks and better quality solutions for highly complex networks when compared to a genetic algorithm using random initial populations.

Industrial Robotics Applied to Education

This work describes a ludic proposal for programming learning of industrial robots to be developed by groups of engineering students. Two projects are presented: Tic-tac-toe Opponent Robot and Environmentalist Robot. The first project use competitive search techniques of the Artificial Intelligence, computational vision, electronic and pneumatic concepts for ability decision making for a robotic agent on the tic-tae-toe game. The second project consists of a game that contains a questions and answers database about environmental themes. An algorithm selects the group of questions to be answered by the player, analyses the answers and sends the result to a industrial robot through serial port. According with the player performance, the robot makes congratulation movements and giving a gift to the winner player. Otherwise, the robot makes movements, disapproving the player performance.

Electrocoagulation/flotation followed by fluidized bed anaerobic reactor applied to tannery effluent treatment

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

TWO DECOMPOSITION APPROACHES APPLIED TO THE MULTI-AREA OPTIMAL REACTIVE POWER FLOW PROBLEM

This paper applies two methods of mathematical decomposition to carry out an optimal reactive power flow (ORPF) in a coordinated decentralized way in the context of an interconnected multi-area power system. The first method is based on an augmented Lagrangian approach using the auxiliary problem principle (APP). The second method uses a decomposition technique based on the Karush-Kuhn-Tucker (KKT) first-order optimality conditions. The viability of each method to be used in the decomposition of multi-area ORPF is studied and the corresponding mathematical models are presented. The IEEE RTS-96, the IEEE 118-bus test systems and a 9-bus didactic system are used in order to show the operation and effectiveness of the decomposition methods.

Multivariated variance analysis applied to biological experiments: An analysis with curves of rats teeth growth as influenced by colchicine

The evaluation of the growth of incisor teeth of rats as influenced by colchicine (doses of 25, 50, 100 and 200 μg/kg) injected during 10 and 18 days is performed using a multivariated variance analysis, which allowed a global view of the results, showing that: there are differences in the growth of teeth of control group (untreated rats) and those treated with colchicine, in the measurements made at the 4th, 7th and 10th days of experiment); there is no difference in the growth of the teeth between the groups treated during 10 and 18 days, except in the measurements made at the 7th day; there is no influence of the doses of colchicine in the group treated during 10 days and in the group treated during 18 days - only at the 7th day is observed an influence of the doses used; and there was no significant interaction between treatment and days of measurement, showing the similarity of the groups during the experiment.

Force patterns of hypoxic myocardium applied to oxygenated muscle preparations: Comparison with effects of regional ischemia on the contraction of non-ischemic myocardium

Objective: To examine the basis for local wall motion abnormalities commonly seen in patients with ischemic heart disease, computer-controlled isolated muscle studies were carried out. Methods: Force patterns of physiologically sequenced contractions (PSCs) from rat left ventricular muscle preparations under well-oxygenated conditions and during periods of hypoxia and reoxygenation were recorded and stored in a computer. Force patterns of hypoxic-reoxygenating and oxygenated myocardium were applied to oxygenated and hypoxic-reoxygenating myocardium, respectively. Results: Observed patterns of shortening and lengthening closely resemble those obtained from ischemic and non-ischemic myocardial segments using ultrasonic crystals in intact dog hearts during coronary occlusion and reperfusion, and are similar to findings reported in angiographic studies of humans with coronary artery disease. Conclusion: The current study, demonstrating motions of oxygenated isolated muscle preparations which are similar to those in perfused segments of intact hearts with regional ischemia, supports the concept that the multiple motions of both ischemic and non-ischemic segments seen in regional myocardial disease can be explained by interactions of strongly and weakly contracting muscle during the physiologic cardiac cycle.

Diffusion Model Applied to Postfeeding Larval Dispersal in Blowflies (Diptera: Calliphoridae)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The ZVS-PWM commutation cell applied to the DC-AC converter

This paper presents the analysis of a dc-ac converter using a zero-voltage-switching (ZVS) commutation cell. First, we show the cell applied to the buck converter. The stages of operation are presented along with the main current and voltage equations. Next, we adapt the converter to the regenerative-operation mode. Hence, the full-bridge converter at low-frequency operation is connected in the dc-dc output stage (at high frequency). The main switches commute at zero voltage. The converter operated at constant frequency with pulse-width modulation (PWM), and neither overvoltage nor additional current stress was observed by digital simulation. A design example and experimental results obtained by prototype, rated at 275 V and 1 kW, are also presented. © 1997 IEEE.