Efficient on the fly calculation of time correlation functions in computer simulations

Time correlation functions yield profound information about the dynamics of a physical system and hence are frequently calculated in computer simulations. For systems whose dynamics span a wide range of time, currently used methods require significant computer time and memory. In this paper, we discuss the multiple-tau correlator method for the efficient calculation of accurate time correlation functions on the fly during computer simulations. The multiple-tau correlator is efficacious in terms of computational requirements and can be tuned to the desired level of accuracy. Further, we derive estimates for the error arising from the use of the multiple-tau correlator and extend it for use in the calculation of mean-square particle displacements and dynamic structure factors. The method described here, in hardware implementation, is routinely used in light scattering experiments but has not yet found widespread use in computer simulations.

Hamiltonian geophysical fluid dynamics

Hamiltonian dynamics describes the evolution of conservative physical systems. Originally developed as a generalization of Newtonian mechanics, describing gravitationally driven motion from the simple pendulum to celestial mechanics, it also applies to such diverse areas of physics as quantum mechanics, quantum field theory, statistical mechanics, electromagnetism, and optics – in short, to any physical system for which dissipation is negligible. Dynamical meteorology consists of the fundamental laws of physics, including Newton’s second law. For many purposes, diabatic and viscous processes can be neglected and the equations are then conservative. (For example, in idealized modeling studies, dissipation is often only present for numerical reasons and is kept as small as possible.) In such cases dynamical meteorology obeys Hamiltonian dynamics. Even when nonconservative processes are not negligible, it often turns out that separate analysis of the conservative dynamics, which fully describes the nonlinear interactions, is essential for an understanding of the complete system, and the Hamiltonian description can play a useful role in this respect. Energy budgets and momentum transfer by waves are but two examples.

Modeling and simulation of the anode in direct ethanol fuels cells

Mathematical modeling has been extensively applied to the study and development of fuel cells. In this work, the objective is to characterize a mechanistic model for the anode of a direct ethanol fuel cell and perform appropriate simulations. The software Comsol Multiphysics (R) (and the Chemical Engineering Module) was used in this work. The software Comsol Multiphysics (R) is an interactive environment for modeling scientific and engineering applications using partial differential equations (PDEs). Based on the finite element method, it provides speed and accuracy for several applications. The mechanistic model developed here can supply details of the physical system, such as the concentration profiles of the components within the anode and the coverage of the adsorbed species on the electrode surface. Also, the anode overpotential-current relationship can be obtained. To validate the anode model presented in this paper, experimental data obtained with a single fuel cell operating with an ethanol solution at the anode were used. (C) 2008 Elsevier B.V. All rights reserved.

Convection in fluid overlying porous layer : an application to Hall-Heroult cell

Finite-element method is used to predict the buoyancy-driven convection in a horizontal layer of fluid (aluminum melt) overlying a porous layer (cathode) saturated with the same fluid. This work aims to compare the Hall–Héroult process in electrolytic cell, where a layer of molten aluminum is reduced over the porous cathode surface. In this study, the physical system of the aluminum melt (fluid) and cathode (porous) together is considered as a composite system of fluid overlying porous layer. The main objective of this study to analyse the velocity components in thin fluid layer and its impact on a porous cathode surface if there is any. In addition, an externally imposed time-independent uniform magnetic field is used to analyse its influence on natural convective forces. The physical system of fluid overlying porous layer is analysed at different Hartmann, Darcy, and fluid-Rayleigh numbers for a fixed Prandtl number (Pr = 0.014). The predicted data show that the convective forces, caused by buoyancy-driven flow, are significant. It is shown that the velocity peaks moves toward the solid wall because of the presence of a magnetic field creating a stronger boundary-layer growth over the permeable cathode surface. The predicted results are plotted in terms of average Nusselt number and Darcy number to indicate the influence of pores and permeability on overall convective heat-transfer characteristics.

Virtual haptic cell model for operator training

Microrobotic cell injection is an area of growing research interest. Typically, operators rely on visual feedback to perceive the microscale environment and are subject to lengthy training times and low success rates. Haptic interaction offers the ability to utilise the operator’s haptic modality and to enhance operator performance. Our earlier work presented a haptically enabled system for assisting the operator with certain aspects of the cell injection task. The system aimed to enhance the operator’s controllability of the micropipette through a logical mapping between the haptic device and microrobot, as well as introducing virtual fixtures for haptic guidance. The system was also designed in such a way that given the availability of appropriate force sensors, haptic display of the cell penetration force is straightforward. This work presents our progress towards a virtual replication of the system, aimed at facilitating offline operator training. It is suggested that operators can use the virtual system to train offline and later transfer their skills to the physical system. In order to achieve the necessary representation of the cell within the virtual system, methods based on a particle-based cell model are utilised. In addition to providing the necessary visual representation, the cell model provides the ability to estimate cell penetration forces and haptically display them to the operator. Two different approaches to achieving the virtual system are discussed.

Functional observers for dynamical systems

In control theory, a state observer is an auxiliary dynamical system that mirrors the behaviour of a physical system, and it is driven by input and output measurements of the physical system in order to provide an estimate of internal states of the physical system. The primary consideration in the design of an observer is that the estimate of the states should be close to the actual value of the system states. On the other hand, the functional observation problem centers on the construction of an auxiliary dynamical system, known as the functional observer or functional reconstructor, driven by the available system inputs and outputs in order to estimate a linear function or functions of the system states. Obviously, a functional observer is a general form of the state observer because when the linear functions are chosen as the individual states of the system then the problem of functional observation reduces to the problem of state observation.

Haptic virtual reality training environment for micro-robotic cell injection

Micro-robotic cell injection is typically performed manually by a trainedbio-operator, and success rates are often low. To enhance bio-operator performance during real-time cell injection, our earlier work introduced a haptically-enabled micro-robotic cell injection system. The system employed haptic virtual fixtures to provide haptic guidance according to articular performance metrics. This paper extends the work by replicating the system within a virtual reality (VR) environment for bio-operator training. Using the virtual environment, the bio-operator is able to control the virtual injection process in the same way they would with the physical haptic micro-robotic cell injection system, while benefiting from the enhanced visualisation capabilities offered by the 3D VR environment. The system is achieved using cost-effective components offering training at much lower cost than using the physical system.

Controle adaptativo robusto para um modelo desacoplado de um robô móvel

This thesis presents a new structure of robust adaptive controller applied to mobile robots (surface mobile robot) with nonholonomic constraints. It acts in the dynamics and kinematics of the robot, and it is split in two distinct parts. The first part controls the robot dynamics, using variable structure model reference adaptive controllers. The second part controls the robot kinematics, using a position controller, whose objective is to make the robot to reach any point in the cartesian plan. The kinematic controller is based only on information about the robot configuration. A decoupling method is adopted to transform the linear model of the mobile robot, a multiple-input multiple-output system, into two decoupled single-input single-output systems, thus reducing the complexity of designing the controller for the mobile robot. After that, a variable structure model reference adaptive controller is applied to each one of the resulting systems. One of such controllers will be responsible for the robot position and the other for the leading angle, using reference signals generated by the position controller. To validate the proposed structure, some simulated and experimental results using differential drive mobile robots of a robot soccer kit are presented. The simulator uses the main characteristics of real physical system as noise and non-linearities such as deadzone and saturation. The experimental results were obtained through an C++ program applied to the robot soccer kit of Microrobot team at the LACI/UFRN. The simulated and experimental results are presented and discussed at the end of the text

História da ciência, interdisciplinaridade e ensino de física: o problema do demônio de Maxwell

Propomos que uma evolução de idéias científicas seja usada como instrumento de aprendizagem de conteúdos específicos e, em particular, para ressaltar como os conteúdos se articulam entre as disciplinas. Como exemplo, apresentamos um estudo sobre a proposta do demônio de Maxwell e discussões sobre sua exorcização, isto é, um estudo sobre a compreensão da natureza de um ser inteligente que atua dentro de um sistema físico e de como seria essa atuação. Estão envolvidos nesse problema fenômenos relacionados com várias teorias - Termodinâmica, Física Molecular, Mecânica Estatística, Teoria da Informação - dentro das disciplinas de Física, Química, Biologia, Computação. Entre diversas questões epistemológicas e conceituais aí contidas, será enfatizada a questão do objeto limitado de uma eoria científica, isto é, da limitação de seu significado aos fenômenos por ela compreendidos. A delimitação dos fenômenos estudados e as teorias e técnicas caracterizam a compreensão que vai realizar sua emergência concreta nos laboratórios. Essa compreensão vai dar também a possibilidade de atuação interdisciplinar.

Projeto de controladores robustos para sistemas sujeitos a falhas estruturais usando realimentação estática de saída

Pós-graduação em Engenharia Elétrica - FEIS

Tunelamento quântico molecular: efeito de acoplamentos no malonaldeído

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Controle de dinâmica caótica com toros robustos

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Investigação de estratégias de controle digital para regulação de velocidade e emulação da dinâmica de turbinas hidráulicas, com implementação e testes experimentais em uma micromáquina de 10 KVA

Devido não ser comum o estudo de sistemas de potência em plantas reais como usinas hidrelétricas por causa dos riscos e custos que envolvem sua operação, dá-se preferência pela realização computacional de modelos matemáticos desse tipo de planta na resolução de problemas, desenvolvimento de novas tecnologias e formação de recursos humanos. No entanto, modelos realizados computacionalmente não proveem a experiência, visual, auditiva e tátil que um modelo físico real pode oferecer. Portanto, neste trabalho, apresenta-se a descrição e a modelagem de um sistema de geração em escala reduzida de 10kVA, que é um sistema físico real, composto por um motor CC, um gerador síncrono e transformadores, chamado também de sistema micromáquina, o qual faz parte da infraestrutura do Laboratório de Engenharia Elétrica da UFPA. Para este sistema, por intermédio deste trabalho de mestrado e do trabalho de mestrado de Moraes (2011), foram desenvolvido subsistemas eletrônicos e computacionais de acionamento, automação e controle para operá-lo de forma segura resultando em uma excelente plataforma didática para dar suporte às pesquisas em dinâmica e controle de sistemas de potência, bem como o desenvolvimento de trabalhos acadêmicos e de ensino. Nesse mesmo contexto, é apresentada uma proposta de técnica de emulação de turbina hidráulica, tendo como base o controle de potência aplicado ao motor CC do sistema micromáquina. Tal técnica foi desenvolvida principalmente com o propósito de dar suporte ao estudo e desenvolvimento de técnicas de regulação de velocidade de turbinas hidráulicas. Consequentemente, também é apresenta uma proposta de um regulador de velocidade digital para turbinas hidráulicas baseado na estrutura canônica RST de controle digital, cujos parâmetros são projetados por duas técnicas de projeto estudadas neste trabalho: o método de alocação polinomial de polos e o projeto de compensadores por atraso de fase pelo método de resposta em frequência para sistemas discretos. Logo para comprovar a eficácia das ferramentas de hardware, software e teóricas desenvolvidas neste trabalho, resultados de experimentos realizados no sistema micromáquina são apresentados e analisados.

Comportamento dinâmico de suspensão eletromecânica: análise da resposta devido ao amortecimento e à rigidez não linear

Pós-graduação em Engenharia Elétrica - FEB