DFT study of the water-assisted tautomerization process between hydrated oxide, MO(H2O)(+), and dihydroxide, M(OH)(2)(+) cations (M = V, Nb and Ta)

Density functional theory (DFT) calculations point out that the participation of water can effectively lower the barrier height for the isomerization process between hydrated oxide cation, MO(H2O)(+), and dihydroxide cation, M(OH)(2)(+), (M = V, Nb and Ta). The catalytic effect is achieved by a water-assisted mechanism in which water acts as proton donor and acceptor, via a transition structure corresponding to a six-membered ring. In the case of vanadium atom, the presence of two water molecules has been taken into account and the tautomerization becomes nearly barrierless, decreasing both the stability of the transition structures relative to intermediates and the depths of wells associated with the intermediates. (C) 2003 Elsevier B.V. All rights reserved.

Investigation on Surface Finishing of Components Ground with Lapping Kinematics: Lapgrinding Process

Over the last three decades, researchers have responded to the demands of industry to manufacture mechanical components with geometrical tolerance, dimensional tolerance, and surface finishing in nanometer levels. The new lapgrinding process developed in Brazil utilizes lapping kinematics and a flat grinding wheel dressed with a single-point diamond dresser in agreement with overlap factor (U(d)) theory. In the present work, the influences of different U(d) values on dressing (U(d) = 1, 3 e 5) and grain size of the grinding wheel made of silicon carbide (SiC = 800, 600 e 300 mesh) are analyzed on surface finishing of stainless steel AISI 420 flat workpieces submitted to the lapgrinding process. The best results, obtained after 10 minutes of machining, were: average surface roughness (Ra) 1.92 nm; 1.19 mu m flatness deviation of 25.4 mm diameter workpieces and mirrored surface finishing. Given the surface quality achieved, the lapgrinding process can be included among the ultra-precision finishing processes and, depending on the application, the steps of lapping followed by polishing can be replaced by the proposed abrasive process.

Design of concrete platforms offshore using the three-layer shell theory

The concrete offshore platforms, which are subjected a several loading combinations and, thus, requires an analysis more generic possible, can be designed using the concepts adopted to shell elements, but the resistance must be verify in particular cross-sections to shear forces. This work about design of shell elements will be make using the three-layer shell theory. The elements are subject to combined loading of membrane and plate, totalizing eight components of internal forces, which are three membrane forces, three moments (two out-of-plane bending moments and one in-plane, or torsion, moment) and two shear forces. The design method adopted, utilizing the iterative process proposed by Lourenco & Figueiras (1993) obtained from equations of equilibrium developed by Gupta (1896) , will be compared to results of experimentally tested shell elements found in the literature using the program DIANA.

Robust fault diagnosis in power distribution systems based on fuzzy ARTMAP neural network-aided evidence theory

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

Reactive Control for Transmission Overload Relief Based on Sensitivity Analysis and Cooperative Game Theory

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Family visitors and companions of hospitalized elderly and adults: analysis of the experience from the perspective of the nursing working process

Trata-se de estudo qualitativo, utilizando-se como referencial metodológico a Grounded Theory e como referencial teórico o Processo de Trabalho em Enfermagem, para compreender o papel assumido pelo enfermeiro perante as normas e rotinas hospitalares, relativas aos familiares visitantes e acompanhantes de adultos e idosos internados em um Hospital Universitário. A análise dos dados permitiu a identificação do tema: definindo-se a modalidade de apoio familiar durante a hospitalização, que reúne duas categorias principais: tornando-se familiar visitante e tornando-se familiar acompanhante. Por meio da análise, pôde-se aprofundar a compreensão do quanto as regras estabelecidas, com o objetivo de disciplinar e tornar eficiente o trabalho desenvolvido no hospital, podem explicitar o desprovimento de autonomia no processo de trabalho, para modificar as relações nesse contexto e o quanto a apropriação do familiar como parte da equipe de saúde, está distante de ser pensada no concreto das instituições.

Renormalized coordinate approach to the thermalization process

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The aggregation process in tetraethoxysilane-derived sonogels as an analogy to the critical phenomenon

The structural evolution in silica sols prepared from tetraethoxysilane (TEOS) sonohydrolysis was studied 'in situ' using small-angle x-ray scattering (SAXS). The structure of the gelling system can be reasonably well described by a correlation function given by gamma(r) similar to (1/R(2))(1/r) exp(- r/xi), where xi is the structure correlation length and R is a chain persistence length, as an analogy to the Ornstein-Zernike theory in describing critical phenomenon. This approach is also expected for the scattering from some linear and branched molecules as polydisperse coils of linear chains and random f-functional branched polycondensates. The characteristic length. grows following an approximate power law with time t as xi similar to t(1) (with the exponent quite close to 1) while R remains undetermined but with a constant value, except at the beginning of the process in which the growth of. is slower and R increases by only about 15% with respect to the value of the initial sol. The structural evolution with time is compatible with an aggregation process by a phase separation by coarsening. The mechanism of growth seems to be faster than those typically observed for pure diffusion controlled cluster-cluster aggregation. This suggests that physical forces (hydrothermal forces) could be actuating together with diffusion in the gelling process of this system. The data apparently do not support a spinodal decomposition mechanism, at least when starting from the initial stable acid sol studied here.

Multivariate analysis of stable isotope data in the traceability process for birds

A análise isotópica tem se mostrado uma ferramenta de suma importância ao processo de rastreabilidade, no entanto, existem divergências nas análises estatísticas dos resultados, uma vez que os dados são dependentes e advindos de vários elementos químicos tais como Carbono, Hidrogênio, Oxigênio, Nitrogênio e Enxofre (CHON'S). Com o intuito de estabelecer a análise propícia para os dados de rastreabilidade em aves pela técnica de isótopos estáveis e avaliar a necessidade da análise conjunta das variáveis, foram usados dados de carbono-13 e de nitrogênio-15 de ovos (albúmen + gema) de poedeiras e músculo peitoral de frangos de corte, os quais foram submetidos à análise estatística univariada (Anova e complementada pelo teste de Tukey) e multivariada (Manova e Discriminante). Os dados foram analisados no software Minitab 16, e os resultados, consolidados na teoria, confirmam a necessidade de análise multivariada, mostrando também que a análise discriminante esclarece as dúvidas apresentadas nos resultados de outros métodos de análise comparados nesta pesquisa.

Non-Hermitian multichannel theory of ultracold collisions modified by intense light fields tuned to the red of the trapping transition

We develop a systematic scheme to treat binary collisions between ultracold atoms in the presence of a strong laser field, tuned to the red of the trapping transition. We assume that the Rabi frequency is much less than the spacing between adjacent bound-state resonances, In this approach we neglect fine and hyperfine structures, but consider fully the three-dimensional aspects of the scattering process, up to the partial d wave. We apply the scheme to calculate the S matrix elements up to the second order in the ratio between the Rabi frequency and the laser detuning, We also obtain, fur this simplified multichannel model, the asymmetric line shapes of photoassociation spectroscopy, and the modification of the scattering length due to the light field at low, but finite, entrance kinetic energy. We emphasize that the present calculations can be generalized to treat more realistic models, and suggest how to carry out a thorough numerical comparison to this semianalytic theory. [S1050-2947(98)04902-6].

Product development process: Using real options for assessments and to support the decision-making at decision gates

Enterprises need continuous product development activities to remain competitive in the marketplace. Their product development process (PDP) must manage stakeholders' needs - technical, financial, legal, and environmental aspects, customer requirements, Corporate strategy, etc. -, being a multidisciplinary and strategic issue. An approach to use real option to support the decision-making process at PDP phases in taken. The real option valuation method is often presented as an alternative to the conventional net present value (NPV) approach. It is based on the same principals of financial options: the right to buy or sell financial values (mostly stocks) at a predetermined price, with no obligation to do so. In PDP, a multi-period approach that takes into account the flexibility of, for instance, being able to postpone prototyping and design decisions, waiting for more information about technologies, customer acceptance, funding, etc. In the present article, the state of the art of real options theory is prospected and a model to use the real options in PDP is proposed, so that financial aspects can be properly considered at each project phase of the product development. Conclusion is that such model can provide more robustness to the decisions processes within PDP.

Effect of Different Solvent Ratios (Water/Ethylene Glycol) on the Growth Process of CaMoO4 Crystals and Their Optical Properties

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

A synthetic control chart for monitoring the process mean and variance

Purpose - The aim of this paper is to present a synthetic chart based on the non-central chi-square statistic that is operationally simpler and more effective than the joint X̄ and R chart in detecting assignable cause(s). This chart will assist in identifying which (mean or variance) changed due to the occurrence of the assignable causes. Design/methodology/approach - The approach used is based on the non-central chi-square statistic and the steady-state average run length (ARL) of the developed chart is evaluated using a Markov chain model. Findings - The proposed chart always detects process disturbances faster than the joint X̄ and R charts. The developed chart can monitor the process instead of looking at two charts separately. Originality/value - The most important advantage of using the proposed chart is that practitioners can monitor the process by looking at only one chart instead of looking at two charts separately. © Emerald Group Publishing Limted.

Enterprise systems modeling: The ERP5 development process

The design and implementation of an ERP system involves capturing the information necessary for implementing the system's structure and behavior that support enterprise management. This process should start on the enterprise modeling level and finish at the coding level, going down through different abstraction layers. For the case of Free/Open Source ERP, the lack of proper modeling methods and tools jeopardizes the advantages of source code availability. Moreover, the distributed, decentralized decision-making, and source-code driven development culture of open source communities, generally doesn't rely on methods for modeling the higher abstraction levels necessary for an ERP solution. The aim of this paper is to present a model driven development process for the open source ERP ERP5. The proposed process covers the different abstraction levels involved, taking into account well established standards and common practices, as well as new approaches, by supplying Enterprise, Requirements, Analysis, Design, and Implementation workflows. Copyright 2008 ACM.

Proposal of a simplified process to correct the phase decoupling using modal analysis

Modal analysis is widely approached in the classic theory of transmission line modeling. This technique is applied to model the three-phase representation of conventional electric systems taking into account their self and mutual electrical parameters. However the methodology has some particularities and inaccuracies for specific applications which are not clearly described in the basic references of this topic. This paper provides a thorough review of modal analysis theory applied to line models followed by an original and simple procedure to overcome the possible errors embedded in the modal decoupling through the three-phase system modeling. © 2012 IEEE.