Ab initio protein folding simulations using atomic burials as informational intermediates between sequence and structure

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A Reynolds stress model for turbulent flows of viscoelastic fluids

A second-order closure is developed for predicting turbulent flows of viscoelastic fluids described by a modified generalised Newtonian fluid model incorporating a nonlinear viscosity that depends on a strain-hardening Trouton ratio as a means to handle some of the effects of viscoelasticity upon turbulent flows. Its performance is assessed by comparing its predictions for fully developed turbulent pipe flow with experimental data for four different dilute polymeric solutions and also with two sets of direct numerical simulation data for fluids theoretically described by the finitely extensible nonlinear elastic - Peterlin model. The model is based on a Newtonian Reynolds stress closure to predict Newtonian fluid flows, which incorporates low Reynolds number damping functions to properly deal with wall effects and to provide the capability to handle fluid viscoelasticity more effectively. This new turbulence model was able to capture well the drag reduction of various viscoelastic fluids over a wide range of Reynolds numbers and performed better than previously developed models for the same type of constitutive equation, even if the streamwise and wall-normal turbulence intensities were underpredicted.

Erosion Protection by Calcium Lactate/Sodium Fluoride Rinses under Different Salivary Flows in vitro

This study investigated the effect of a calcium lactate pre-rinse on sodium fluoride protection in an in vitro erosion-remineralization model simulating two different salivary flow rates. Enamel and dentin specimens were randomly assigned to 6 groups (n = 8), according to the combination between rinse treatments - deionized water (DIW), 12 mm NaF (NaF) or 150 mm calcium lactate followed by NaF (CaL + NaF) and unstimulated salivary flow rates - 0.5 or 0.05 ml/min simulating normal and low salivary flow rates, respectively. The specimens were placed into custom-made devices, creating a sealed chamber on the specimen surface connected to a peristaltic pump. Citric acid was injected into the chamber for 2 min, followed by artificial saliva (0.5 or 0.05 ml/min) for 60 min. This cycle was repeated 4x/day for 3 days. Rinse treatments were performed daily 30 min after the 1st and 4th erosive challenges, for 1 min each time. Surface loss was determined by optical profilometry. KOH-soluble fluoride and structurally bound fluoride were determined in specimens at the end of the experiment. Data were analyzed by 2-way ANOVA and Tukey tests (alpha = 0.05). NaF and CaL + NaF exhibited significantly lower enamel and dentin loss than DIW, with no difference between them for normal flow conditions. The low salivary flow rate increased enamel and dentin loss, except for CaL + NaF, which presented overall higher KOH-soluble and structurally bound fluoride levels. The results suggest that the NaF rinse was able to reduce erosion progression. Although the CaL prerinse considerably increased F availability, it enhanced NaF protection against dentin erosion only under hyposalivatory conditions. (C) 2014 S. Karger AG, Basel

Numerical solution of the FENE-CR model in complex flows

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

Application of the PTT Model to Axisymmetric Free Surface Flows

This work is concerned with numerical simulation of axisymmetric viscoelastic free surface flows using the Phan-Thien-Tanner (PTT) constitutive equation. A finite difference technique for solving the governing equations for unsteady incompressible flows written in Cylindrical coordinates on a staggered grid is described. The fluid is modelled by a Marker-and-Cell type method and an accurate representation of the fluid surface is employed. The full free surface stress conditions are applied. The numerical method is verified by comparing numerical predictions of fully developed flow in a pipe with the corresponding analytic solutions. To demonstrate that the numerical method can simulate axisymmetric free surface flows governed by the PTT model, numerical results of the flow evolution of a drop impacting on a rigid dry plate are presented. In these simulations, the rheological effects of the parameters epsilon and xi are investigated.

Control of instabilities in non-Newtonian free surface fluid flows

Free surface flows in inclined channels can develop periodic instabilities that are propagated downstream as shock waves with well-defined wavelengths and amplitudes. Such disturbances are called roll waves and are common in channels, torrential lava, landslides, and avalanches. The prediction and detection of such waves over certain types of structures and environments are useful for the prevention of natural risks. In this work, a mathematical model is established using a theoretical approach based on Cauchy's equations with the Herschel-Bulkley rheological model inserted into the viscous part of the stress tensor. This arrangement can adequately represent the behavior of muddy fluids, such as water-clay mixture. Then, taking into account the shallow water and the Rankine-Hugoniot's (shock wave) conditions, the equation of the roll wave and its properties, profile, and propagation velocity are determined. A linear stability analysis is performed with an emphasis on determining the condition that allows the generation of such instabilities, which depends on the minimum Froude number. A sensitivity analysis on the numerical parameters is performed, and numerical results including the influence of the Froude number, the index flow and dimensionless yield stress on the amplitude, the wavelength of roll waves and the propagation velocity of roll waves are shown. We show that our numerical results were in agreement with Coussot's experimental results (1994).

Tipos documentais e fluxos de informação como subsídios para o processo decisório em ambientes organizacionais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Fluxos de informação que subsidiam o processo de inteligência competitiva

Information flows are responsible for the dynamics and the interaction between the various sectors of the organization and among individuals who work in it. By mapping performed in internal and external environments of the organization, it is possible to highlight the informational needs of organizational individual, since they depend on data, information and knowledge to perform their actions in the corporate environment. To meet the information needs of organizational individual need to manage the existing information flows, how it can settle and move effectively in the organizational environment. It is argued that the environments and existing information flows in an organization, subsidize the process of organizational competitive intelligence, since they are inputs for decision making and enable the planning and execution of actions in the short, medium and long term.

Brands Analysis Using Informational Ergonomics Concepts: A Proposal

Currently, a lot of visual information present in all media is form vehemently, for example, in print media and interfaces used for publicity in conjunction with informational design. This visual information has great influence in the life of human beings, since the vision of these individuals is the most used sense. Studies on visual identity have not explored this issue in a satisfactory manner, favoring thus the subject of this small development projects in the area. It is noted the need for analyzes to enable implementation principles of project, making them accessible to the comprehension of most individuals. This study aimed to propose an evaluation of visual identities, which were analyzed by means of visual concepts of usability, design methodologies and Gestalt. We contacted design firms specialized in visual identity projects, places where interviews were conducted to collect the brands allowed for analysis. The results point to a frequent demand for the employment of visual usability principles, design methodologies and Gestalt design in visual identities.

Pressure distribution on the frontal disk for turbulent flows in a radial diffuser

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

Experimental setup for measuring roll waves on laminar open channel flows

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

A gestão do fluxo das informações contábeis-financeiras como subsídio do processo de decisão: estudo de caso em uma instituição de ensino superior do terceiro setor

Pós-graduação em Ciência da Informação - FFC