930 resultados para Molecules - Models - Computer simulation
Resumo:
In this work a new method is proposed of separated estimation for the ARMA spectral model based on the modified Yule-Walker equations and on the least squares method. The proposal of the new method consists of performing an AR filtering in the random process generated obtaining a new random estimate, which will reestimate the ARMA model parameters, given a better spectrum estimate. Some numerical examples will be presented in order to ilustrate the performance of the method proposed, which is evaluated by the relative error and the average variation coefficient.
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The electrodeposition of manganese oxide films onto a platinum substrate was investigated by means of in situ ellipsometry. In the thickness range from 0 to 150 nm, the anodic oxide behaves as an Isotropic single layer with optical constants that are independent of thickness. Deviations at higher thickness are explained in terms of anisotropic properties of the film. The electroreduction of thin films (up to ca. 150 nm) in an alkaline electrolyte leads to a decrease in both the refractive index and the extinction coefficient and is accompanied by a thickness increase of ca. 10%. The Mn(IV) to Mn(III) conversion takes place from the oxide/electrolyte interface inwards. © 2004 The Electrochemical Society. All rights reserved.
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A comparative study, with theoretical analysis and digital simulations, of two conditions based on LMI for the quadratic stability of nonlinear continuous-time dynamic systems, described by Takagi-Sugeno fuzzy models, are presented. This paper shows that the methods proposed by Teixeira et. al. in 2003 provide better or at least the same results of a recent method presented in the literature. © 2005 IEEE.
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We present a simple mathematical model of a wind turbine supporting tower. Here, the wind excitation is considered to be a non-ideal power source. In such a consideration, there is interaction between the energy supply and the motion of the supporting structure. If power is not enough, the rotation of the generator may get stuck at a resonance frequency of the structure. This is a manifestation of the so-called Sommerfeld Effect. In this model, at first, only two degrees of freedom are considered, the horizontal motion of the upper tip of the tower, in the transverse direction to the wind, and the generator rotation. Next, we add another degree of freedom, the motion of a free rolling mass inside a chamber. Its impact with the walls of the chamber provides control of both the amplitude of the tower vibration and the width of the band of frequencies in which the Sommerfeld effect occur. Some numerical simulations are performed using the equations of motion of the models obtained via a Lagrangian approach.
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A branch and bound algorithm is proposed to solve the [image omitted]-norm model reduction problem for continuous and discrete-time linear systems, with convergence to the global optimum in a finite time. The lower and upper bounds in the optimization procedure are described by linear matrix inequalities (LMI). Also proposed are two methods with which to reduce the convergence time of the branch and bound algorithm: the first one uses the Hankel singular values as a sufficient condition to stop the algorithm, providing to the method a fast convergence to the global optimum. The second one assumes that the reduced model is in the controllable or observable canonical form. The [image omitted]-norm of the error between the original model and the reduced model is considered. Examples illustrate the application of the proposed method.
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DBMODELING is a relational database of annotated comparative protein structure models and their metabolic, pathway characterization. It is focused on enzymes identified in the genomes of Mycobacterium tuberculosis and Xylella fastidiosa. The main goal of the present database is to provide structural models to be used in docking simulations and drug design. However, since the accuracy of structural models is highly dependent on sequence identity between template and target, it is necessary to make clear to the user that only models which show high structural quality should be used in such efforts. Molecular modeling of these genomes generated a database, in which all structural models were built using alignments presenting more than 30% of sequence identity, generating models with medium and high accuracy. All models in the database are publicly accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools. DBMODELING user interface provides users friendly menus, so that all information can be printed in one stop from any web browser. Furthermore, DBMODELING also provides a docking interface, which allows the user to carry out geometric docking simulation, against the molecular models available in the database. There are three other important homology model databases: MODBASE, SWISSMODEL, and GTOP. The main applications of these databases are described in the present article. © 2007 Bentham Science Publishers Ltd.
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A variety of effects is attributed to the photo stimulation of tissues, such as improved healing of ulcers, analgesic and anti-inflammatory effects, stimulation of the proliferation of cells of different origins and stimulation of bone repair. Some investigations that make qualitative evaluations, like wound healing and evaluation of pain and edema, can be conducted in human subjects. However, deeper investigations on the mechanisms of action of the light stimulus and other quantitative works that requires biopsies or destructive analysis has to be carried out in animal models or in cell cultures. In this work, we propose the use of planarians as a model to study laser-tissue interaction. Contrasting with cell cultures and unicellular organisms, planarians are among the simplest organism having tissue layers, central nerve system, digestive and excretory system that might have been platforms for the evolution of the complex and highly organized tissues and organs found in higher organisms. For the present study, 685 nm laser radiation was employed. Planarians were cut transversally, in a plane posterior to the auricles. The body fragments were left to regenerate and the proliferation dynamics of stem cells was studied by using histological analysis. Maximum cell count was obtained for the laser treated group at the 4th experimental day. At that experimental time, we also had the largest difference between the irradiated and the non-irradiated control group. We concluded that the studied flatworm could be an interesting animal model for in vivo studies of laser-tissue interactions.
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This paper describes a software tool, called LEVSOFT, suitable for the electric field simulations of corona electrodes by the Finite Element Method (FEM). Special attention was paid to the user friendly construction of geometries with corners and sharp points, and to the fast generation of highly refined triangular meshes and field maps. The execution of self-adaptive meshes was also implemented. These customized features make the code attractive for the simulation of needle-type corona electrodes. Some case examples involving needle type electrodes are presented.
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The objective of this article is to apply the Design of experiments technique along with the Discrete Events Simulation technique in an automotive process. The benefits of the design of experiments in simulation include the possibility to improve the performance in the simulation process, avoiding trial and error to seek solutions. The methodology of the conjoint use of Design of Experiments and Computer Simulation is presented to assess the effects of the variables and its interactions involved in the process. In this paper, the efficacy of the use of process mapping and design of experiments on the phases of conception and analysis are confirmed. © 2007 IEEE.
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In this paper, a mathematical model is derived via Lagrange's Equation for a shear building structure that acts as a foundation of a non-ideal direct current electric motor, controlled by a mass loose inside a circular carving. Non-ideal sources of vibrations of structures are those whose characteristics are coupled to the motion of the structure, not being a function of time only as in the ideal case. Thus, in this case, an additional equation of motion is written, related to the motor rotation, coupled to the equation describing the horizontal motion of the shear building. This kind of problem can lead to the so-called Sommerfeld effect: steady state frequencies of the motor will usually increase as more power (voltage) is given to it in a step-by-step fashion. When a resonance condition with the structure is reached, the better part of this energy is consumed to generate large amplitude vibrations of the foundation without sensible change of the motor frequency as before. If additional increase steps in voltage are made, one may reach a situation where the rotor will jump to higher rotation regimes, no steady states being stable in between. As a device of passive control of both large amplitude vibrations and the Sommerfeld effect, a scheme is proposed using a point mass free to bounce back and forth inside a circular carving in the suspended mass of the structure. Numerical simulations of the model are also presented Copyright © 2007 by ASME.
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The aim of this paper is to study the cropping system as complex one, applying methods from theory of dynamic systems and from the control theory to the mathematical modeling of the biological pest control. The complex system can be described by different mathematical models. Based on three models of the pest control, the various scenarios have been simulated in order to obtain the pest control strategy only through natural enemies' introduction. © 2008 World Scientific Publishing Company.
Resumo:
The objective of this article is to apply the Design of Experiments technique along with the Discrete Events Simulation technique in an automotive process. The benefits of the design of experiments in simulation include the possibility to improve the performance in the simulation process, avoiding trial and error to seek solutions. The methodology of the conjoint use of Design of Experiments and Computer Simulation is presented to assess the effects of the variables and its interactions involved in the process. In this paper, the efficacy of the use of process mapping and design of experiments on the phases of conception and analysis are confirmed.
Resumo:
The aim of this study was to evaluate the influence of the high values of insertion torques on the stress and strain distribution in cortical and cancellous bones. Based on tomography imaging, a representative mathematical model of a partial maxilla was built using Mimics 11.11 and Solid Works 2010 softwares. Six models were built and each of them received an implant with one of the following insertion torques: 30, 40, 50, 60, 70 or 80 Ncm on the external hexagon. The cortical and cancellous bones were considered anisotropic. The bone/implant interface was considered perfectly bonded. The numerical analysis was carried out using Ansys Workbench 10.0. The convergence of analysis (6%) drove the mesh refinement. Maximum principal stress (σ max) and maximum principal strain (ε max) were obtained for cortical and cancellous bones around to implant. Pearson's correlation test was used to determine the correlation between insertion torque and stress concentration in the periimplant bone tissue, considering the significance level at 5%. The increase in the insertion torque generated an increase in the σ max and ε max values for cortical and cancellous bone. The σmax was smaller for the cancellous bone, with greater stress variation among the insertion torques. The ε max was higher in the cancellous bone in comparison to the cortical bone. According to the methodology used and the limits of this study, it can be concluded that higher insertion torques increased tensile and compressive stress concentrations in the periimplant bone tissue.
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The ABE (acetone, butanol, ethanol) fermentation is characterized by its low productivity. In this paper, this issue is overcome with an innovative industrial process that employs the flash fermentation technology. The process consists of three interconnected units, as follows: fermentor, cell retention system (tangential microfiltration) and vacuum flash vessel (responsible for the continuous recovery of butanol from the broth). The dynamic behaviour of the process is described by a nonlinear mathematical model with kinetic parameters determined experimentally. From simulations of the mathematical model the dynamic characteristics of the process were investigated. Analyzes of the open-loop dynamic behavior of the process, after step perturbations in the manipulated variables, determined the best control structures for the process. Copyright © 2010, AIDIC Servizi S.r.l.
Resumo:
The purpose of this work is to present a frequency domain model to demonstrate the operation of an electromagnetic arrangement for controlling the injection of zero-sequence currents in the electrical system. Considering the diversity of sequential distribution of harmonic components of a current, the device proposed can be used in the process of mitigation of zero-sequence components. This device, here called electromagnetic suppressor, consists of a blocker and filter both electromagnetic, whose joint operation can provide paths of high and low impedances that can be conveniently adjusted in order to search for a desired performance. This study presents physical considerations, mathematical modeling and computer simulations that clearly demonstrate the viability of this application as a more viable alternative in the conception of filtering systems. The performance analysis is based on the frequency response of harmonic transmittances. The efficacy of this technique in direct actions to maximize the harmonic mitigation process is demonstrated. ©2010 IEEE.