Search results for: coupled dynamics
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1331

Search results for: coupled dynamics

1301 Countercurrent Flow Simulation of Gas-Solid System in a Purge Column Using Computational Fluid Dynamics Techniques

Authors: T. J. Jamaleddine

Abstract:

Purge columns or degasser vessels are widely used in the polyolefin process for removing trapped hydrocarbons and in-excess catalyst residues from the polymer particles. A uniform distribution of purged gases coupled with a plug-flow characteristic inside the column system is desirable to obtain optimum desorption characteristics of trapped hydrocarbon and catalyst residues. Computational Fluid Dynamics (CFD) approach is a promising tool for design optimization of these vessels. The success of this approach is profoundly dependent on the solution strategy and the choice of geometrical layout at the vessel outlet. Filling the column with solids and initially solving for the solids flow minimized numerical diffusion substantially. Adopting a cylindrical configuration at the vessel outlet resulted in less numerical instability and resembled the hydrodynamics flow of solids in the hopper segment reasonably well.

Keywords: CFD, gas-solids flow, gas purging, species transport, purge column, degasser vessel.

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1300 Coupled Electromagnetic and Thermal Field Modeling of a Laboratory Busbar System

Authors: Tatyana R. Radeva, Ivan S. Yatchev, Dimitar N. Karastoyanov, Nikolay I. Stoimenov, Stanislav D. Gyoshev

Abstract:

The paper presents coupled electromagnetic and thermal field analysis of busbar system (of rectangular cross-section geometry) submitted to short circuit conditions. The laboratory model was validated against both analytical solution and experimental observations. The considered problem required the computation of the detailed distribution of the power losses and the heat transfer modes. In this electromagnetic and thermal analysis, different definitions of electric busbar heating were considered and compared. The busbar system is a three phase one and consists of aluminum, painted aluminum and copper busbar. The solution to the coupled field problem is obtained using the finite element method and the QuickField™ program. Experiments have been carried out using two different approaches and compared with computed results.

Keywords: Busbar system, coupled problems, finite element method, short-circuit currents.

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1299 A Low Profile Dual Polarized Slot Coupled Patch Antenna

Authors: Mingde Du, Dong Han

Abstract:

A low profile, dual polarized, slot coupled patch antenna is designed and developed in this paper. The antenna has a measured bandwidth of 17.2% for return loss > 15 dB and pair ports isolation >23 dB. The gain of the antenna is over 10 dBi and the half power beam widths (HPBW) of the antenna are 80±3o in the horizontal plane and 39±2o in the vertical plane. The cross polarization discrimination (XPD) is less than 20 dB in HPBW. Within the operating band, the performances of good impedance match, high ports isolation, low cross polarization, and stable radiation patterns are achieved.

Keywords: Dual polarized, patch antenna, slot coupled, base station antenna.

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1298 Coupled Multifield Analysis of Piezoelectrically Actuated Microfluidic Device for Transdermal Drug Delivery Applications

Authors: Muhammad Waseem Ashraf, Shahzadi Tayyaba, Nitin Afzulpurkar, Asim Nisar, Adisorn Tuantranont, Erik L J Bohez

Abstract:

In this paper, design, fabrication and coupled multifield analysis of hollow out-of-plane silicon microneedle array with piezoelectrically actuated microfluidic device for transdermal drug delivery (TDD) applications is presented. The fabrication process of silicon microneedle array is first done by series of combined isotropic and anisotropic etching processes using inductively coupled plasma (ICP) etching technology. Then coupled multifield analysis of MEMS based piezoelectrically actuated device with integrated 2×2 silicon microneedle array is presented. To predict the stress distribution and model fluid flow in coupled field analysis, finite element (FE) and computational fluid dynamic (CFD) analysis using ANSYS rather than analytical systems has been performed. Static analysis and transient CFD analysis were performed to predict the fluid flow through the microneedle array. The inlet pressure from 10 kPa to 150 kPa was considered for static CFD analysis. In the lumen region fluid flow rate 3.2946 μL/min is obtained at 150 V for 2×2 microneedle array. In the present study the authors have performed simulation of structural, piezoelectric and CFD analysis on three dimensional model of the piezoelectrically actuated mcirofluidic device integrated with 2×2 microneedle array.

Keywords: Coupled multifield, finite element analysis, hollow silicon microneedle, transdermal drug delivery.

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1297 Analysis of Heart Beat Dynamics through Singularity Spectrum

Authors: Harish Kumar, Hussein Yahia, Oriol Pont, Michel Haissaguerre, Nicolas Derval, Meleze Hocini

Abstract:

The analysis to detect arrhythmias and life-threatening conditions are highly essential in today world and this analysis can be accomplished by advanced non-linear processing methods for accurate analysis of the complex signals of heartbeat dynamics. In this perspective, recent developments in the field of multiscale information content have lead to the Microcanonical Multiscale Formalism (MMF). We show that such framework provides several signal analysis techniques that are especially adapted to the study of heartbeat dynamics. In this paper, we just show first hand results of whether the considered heartbeat dynamics signals have the multiscale properties by computing local preticability exponents (LPEs) and the Unpredictable Points Manifold (UPM), and thereby computing the singularity spectrum.

Keywords: Microcanonical Multiscale Formalism (MMF), UnpredictablePoints Manifold (UPM), Heartbeat Dynamics.

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1296 Sensing Pressure for Authentication System Using Keystroke Dynamics

Authors: Hidetoshi Nonaka, Masahito Kurihara

Abstract:

In this paper, an authentication system using keystroke dynamics is presented. We introduced pressure sensing for the improvement of the accuracy of measurement and durability against intrusion using key-logger, and so on, however additional instrument is needed. As the result, it has been found that the pressure sensing is also effective for estimation of real moment of keystroke.

Keywords: Biometric authentication, Keystroke dynamics, Pressure sensing, Time-frequency analysis.

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1295 DQ Analysis of 3D Natural Convection in an Inclined Cavity Using an Velocity-Vorticity Formulation

Authors: D. C. Lo, S. S. Leu

Abstract:

In this paper, the differential quadrature method is applied to simulate natural convection in an inclined cubic cavity using velocity-vorticity formulation. The numerical capability of the present algorithm is demonstrated by application to natural convection in an inclined cubic cavity. The velocity Poisson equations, the vorticity transport equations and the energy equation are all solved as a coupled system of equations for the seven field variables consisting of three velocities, three vorticities and temperature. The coupled equations are simultaneously solved by imposing the vorticity definition at boundary without requiring the explicit specification of the vorticity boundary conditions. Test results obtained for an inclined cubic cavity with different angle of inclinations for Rayleigh number equal to 103, 104, 105 and 106 indicate that the present coupled solution algorithm could predict the benchmark results for temperature and flow fields. Thus, it is convinced that the present formulation is capable of solving coupled Navier-Stokes equations effectively and accurately.

Keywords: Natural convection, velocity-vorticity formulation, differential quadrature (DQ).

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1294 Performance Evaluation of GPS \ INS Main Integration Approach

Authors: Othman Maklouf, Ahmed Adwaib

Abstract:

This paper introduces a comparative study between the main GPS\INS coupling schemes, this will include the loosely coupled and tightly coupled configurations, several types of situations and operational conditions, in which the data fusion process is done using Kalman filtering. This will include the importance of sensors calibration as well as the alignment of the strap down inertial navigation system. The limitations of the inertial navigation systems are investigated.

Keywords: GPS, INS, Kalman Filter.

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1293 Design of PI Controller Using MRAC Techniques For Couple-Tanks Process

Authors: Boonsrimuang P., Numsomran A., Kangwanrat S.

Abstract:

The typical coupled-tanks process that is TITO plant has the difficulty in controller design because changing of system dynamics and interacting of process. This paper presents design methodology of auto-adjustable PI controller using MRAC technique. The proposed method can adjust the controller parameters in response to changes in plant and disturbance real time by referring to the reference model that specifies properties of the desired control system.

Keywords: PI controller, MRAC, Couple-tanks process

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1292 Using the Keystrokes Dynamic for Systems of Personal Security

Authors: Gláucya C. Boechat, Jeneffer C. Ferreira, Edson C. B. Carvalho

Abstract:

This paper presents a boarding on biometric authentication through the Keystrokes Dynamics that it intends to identify a person from its habitual rhythm to type in conventional keyboard. Seven done experiments: verifying amount of prototypes, threshold, features and the variation of the choice of the times of the features vector. The results show that the use of the Keystroke Dynamics is simple and efficient for personal authentication, getting optimum resulted using 90% of the features with 4.44% FRR and 0% FAR.

Keywords: Biometrics techniques, Keystroke Dynamics, patternrecognition.

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1291 Belt Conveyor Dynamics in Transient Operation for Speed Control

Authors: D. He, Y. Pang, G. Lodewijks

Abstract:

Belt conveyors play an important role in continuous dry bulk material transport, especially at the mining industry. Speed control is expected to reduce the energy consumption of belt conveyors. Transient operation is the operation of increasing or decreasing conveyor speed for speed control. According to literature review, current research rarely takes the conveyor dynamics in transient operation into account. However, in belt conveyor speed control, the conveyor dynamic behaviors are significantly important since the poor dynamics might result in risks. In this paper, the potential risks in transient operation will be analyzed. An existing finite element model will be applied to build a conveyor model, and simulations will be carried out to analyze the conveyor dynamics. In order to realize the soft speed regulation, Harrison’s sinusoid acceleration profile will be applied, and Lodewijks estimator will be built to approximate the required acceleration time. A long inclined belt conveyor will be studied with two major simulations. The conveyor dynamics will be given.

Keywords: Belt conveyor, speed control, transient operation, dynamics

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1290 State Estimation Method Based on Unscented Kalman Filter for Vehicle Nonlinear Dynamics

Authors: Wataru Nakamura, Tomoaki Hashimoto, Liang-Kuang Chen

Abstract:

This paper provides a state estimation method for automatic control systems of nonlinear vehicle dynamics. A nonlinear tire model is employed to represent the realistic behavior of a vehicle. In general, all the state variables of control systems are not precisedly known, because those variables are observed through output sensors and limited parts of them might be only measurable. Hence, automatic control systems must incorporate some type of state estimation. It is needed to establish a state estimation method for nonlinear vehicle dynamics with restricted measurable state variables. For this purpose, unscented Kalman filter method is applied in this study for estimating the state variables of nonlinear vehicle dynamics. The objective of this paper is to propose a state estimation method using unscented Kalman filter for nonlinear vehicle dynamics. The effectiveness of the proposed method is verified by numerical simulations.

Keywords: State estimation, control systems, observer systems, unscented Kalman filter, nonlinear vehicle dynamics.

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1289 PID Parameter Optimization of an UAV Longitudinal Flight Control System

Authors: Kamran Turkoglu, Ugur Ozdemir, Melike Nikbay, Elbrous M. Jafarov

Abstract:

In this paper, an automatic control system design based on Integral Squared Error (ISE) parameter optimization technique has been implemented on longitudinal flight dynamics of an UAV. It has been aimed to minimize the error function between the reference signal and the output of the plant. In the following parts, objective function has been defined with respect to error dynamics. An unconstrained optimization problem has been solved analytically by using necessary and sufficient conditions of optimality, optimum PID parameters have been obtained and implemented in control system dynamics.

Keywords: Optimum Design, KKT Conditions, UAV, Longitudinal Flight Dynamics, ISE Parameter Optimization.

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1288 Behavior of Solutions of the System of Recurrence Equations Based on the Verhulst-Pearl Model

Authors: Vladislav N. Dumachev, Vladimir A. Rodin

Abstract:

By utilizing the system of the recurrence equations, containing two parameters, the dynamics of two antagonistically interconnected populations is studied. The following areas of the system behavior are detected: the area of the stable solutions, the area of cyclic solutions occurrence, the area of the accidental change of trajectories of solutions, and the area of chaos and fractal phenomena. The new two-dimensional diagram of the dynamics of the solutions change (the fractal cabbage) has been obtained. In the cross-section of this diagram for one of the equations the well-known Feigenbaum tree of doubling has been noted.Keywordsbifurcation, chaos, dynamics of populations, fractals

Keywords: bifurcation, chaos, dynamics of populations, fractals

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1287 Dynamics, Hierarchy and Commensalities: A Study of Inter Caste Relationship in a North Indian Village

Authors: K. Pandey

Abstract:

The present study is a functional analysis of the relationship between castes which indicates the dynamics of the caste structure in the rural setting. The researcher has tried to show both the cooperation and competition on important ceremonial and social occasions. The real India exists in the villages, so we need to know about their solidarity and also what the village life is and has been shaping into. We need to emphasize a microcosmic study of Indian rural life. Furthermore, caste integration is an acute problem country faces today. To resolve this we are required to know the dynamics of behavior of the people of different castes and for the study of the caste dynamics a study of caste relations are needed. The present study is an attempt in this direction.

Keywords: Hierarchial groups, jajmani system, functional dependence, commensalities.

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1286 Strategic Management via System Dynamics Simulation Models

Authors: G. Papageorgiou, A. Hadjis

Abstract:

This paper examines the problem of strategic management in highly turbulent dynamic business environmental conditions. As shown the high complexity of the problem can be managed with the use of System Dynamics Models and Computer Simulation in obtaining insights, and thorough understanding of the interdependencies between the organizational structure and the business environmental elements, so that effective product –market strategies can be designed. Simulation reveals the underlying forces that hold together the structure of an organizational system in relation to its environment. Such knowledge will contribute to the avoidance of fundamental planning errors and enable appropriate proactive well focused action.

Keywords: Strategic Management, System Dynamics, Modelingand Simulation, Strategic Planning, Organizational Dynamics

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1285 Lateral and Longitudinal Vibration of a Rotating Flexible Beam Coupled with Torsional Vibration of a Flexible Shaft

Authors: Khaled Alnefaie

Abstract:

In this study, rotating flexible shaft-disk system having flexible beams is considered as a dynamic system. After neglecting nonlinear terms, torsional vibration of the shaft-disk system and lateral and longitudinal vibration of the flexible beam are still coupled through the motor speed. The system has three natural frequencies; the flexible shaft-disk system torsional natural frequency, the flexible beam lateral and longitudinal natural frequencies. Eigenvalue calculations show that while the shaft speed changes, torsional natural frequency of the shaft-disk system and the beam longitudinal natural frequency are not changing but the beam lateral natural frequency changes. Beam lateral natural frequency stays the same as the nonrotating beam lateral natural frequency ωb until the motor speed ωm is equal to ωb. After then ωb increases and remains equal to the motor speed ωm until the motor speed is equal to the shaft-disk system natural frequency ωT. Then the beam lateral natural frequency ωb becomes equal to the natural frequency ωT and stays same while the motor speed ωm is increased. Modal amplitudes and phase angles of the vibrations are also plotted against the motor speed ωm.

Keywords: Rotor dynamics, beam-shaft coupling, beam vibration, flexible shaft.

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1284 Exterior Calculus: Economic Growth Dynamics

Authors: Troy L. Story

Abstract:

Mathematical models of dynamics employing exterior calculus are mathematical representations of the same unifying principle; namely, the description of a dynamic system with a characteristic differential one-form on an odd-dimensional differentiable manifold leads, by analysis with exterior calculus, to a set of differential equations and a characteristic tangent vector (vortex vector) which define transformations of the system. Using this principle, a mathematical model for economic growth is constructed by proposing a characteristic differential one-form for economic growth dynamics (analogous to the action in Hamiltonian dynamics), then generating a pair of characteristic differential equations and solving these equations for the rate of economic growth as a function of labor and capital. By contracting the characteristic differential one-form with the vortex vector, the Lagrangian for economic growth dynamics is obtained.

Keywords: Differential geometry, exterior calculus, Hamiltonian geometry, mathematical economics.

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1283 Dust Acoustic Shock Waves in Coupled Dusty Plasmas with Kappa-Distributed Ions

Authors: Hamid Reza Pakzad

Abstract:

We have considered an unmagnetized dusty plasma system consisting of ions obeying superthermal distribution and strongly coupled negatively charged dust. We have used reductive perturbation method and derived the Kordeweg-de Vries-Burgers (KdV-Burgers) equation. The behavior of the shock waves in the plasma has been investigated.

Keywords: Shock, Soliton, Coupling, Superthermal ions.

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1282 PUMA 560 Optimal Trajectory Control using Genetic Algorithm, Simulated Annealing and Generalized Pattern Search Techniques

Authors: Sufian Ashraf Mazhari, Surendra Kumar

Abstract:

Robot manipulators are highly coupled nonlinear systems, therefore real system and mathematical model of dynamics used for control system design are not same. Hence, fine-tuning of controller is always needed. For better tuning fast simulation speed is desired. Since, Matlab incorporates LAPACK to increase the speed and complexity of matrix computation, dynamics, forward and inverse kinematics of PUMA 560 is modeled on Matlab/Simulink in such a way that all operations are matrix based which give very less simulation time. This paper compares PID parameter tuning using Genetic Algorithm, Simulated Annealing, Generalized Pattern Search (GPS) and Hybrid Search techniques. Controller performances for all these methods are compared in terms of joint space ITSE and cartesian space ISE for tracking circular and butterfly trajectories. Disturbance signal is added to check robustness of controller. GAGPS hybrid search technique is showing best results for tuning PID controller parameters in terms of ITSE and robustness.

Keywords: Controller Tuning, Genetic Algorithm, Pattern Search, Robotic Controller, Simulated Annealing.

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1281 Role of Acoustic Pressure on the Dynamics of Moving Single-Bubble Sonoluminescence

Authors: Reza Rezaei-Nasirabad, Zeinab Galavani, Rasoul Sadighi-Bonabi, Mohammad Asgarian

Abstract:

Role of acoustic driving pressure on the translational-radial dynamics of a moving single bubble sonoluminescence (m-SBSL) has been numerically investigated. The results indicate that increase in the amplitude of the driving pressure leads to increase in the bubble peak temperature. The length and the shape of the trajectory of the bubble depends on the acoustic pressure and because of the spatially dependence of the radial dynamics of the moving bubble, its peak temperature varies during the acoustical pulses. The results are in good agreement with the experimental reports on m-SBSL.

Keywords: Bubble dynamics, Equation of the gas state, Hydrodynamic force, Moving sonoluminescence.

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1280 Black Box Model and Evolutionary Fuzzy Control Methods of Coupled-Tank System

Authors: S. Yaman, S. Rostami

Abstract:

In this study, a black box modeling of the coupled-tank system is obtained by using fuzzy sets. The derived model is tested via adaptive neuro fuzzy inference system (ANFIS). In order to achieve a better control performance, the parameters of three different controller types, classical proportional integral controller (PID), fuzzy PID and function tuner method, are tuned by one of the evolutionary computation method, genetic algorithm. All tuned controllers are applied to the fuzzy model of the coupled-tank experimental setup and analyzed under the different reference input values. According to the results, it is seen that function tuner method demonstrates better robust control performance and guarantees the closed loop stability.

Keywords: Function tuner method, fuzzy modeling, fuzzy PID controller, genetic algorithm.

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1279 Transformer Diagnosis Based on Coupled Circuits Method Modelling

Authors: Labar Hocine, Rekik Badri, Bounaya Kamel, Kelaiaia Mounia Samira

Abstract:

Diagnostic goal of transformers in service is to detect the winding or the core in fault. Transformers are valuable equipment which makes a major contribution to the supply security of a power system. Consequently, it is of great importance to minimize the frequency and duration of unwanted outages of power transformers. So, Frequency Response Analysis (FRA) is found to be a useful tool for reliable detection of incipient mechanical fault in a transformer, by finding winding or core defects. The authors propose as first part of this article, the coupled circuits method, because, it gives most possible exhaustive modelling of transformers. And as second part of this work, the application of FRA in low frequency in order to improve and simplify the response reading. This study can be useful as a base data for the other transformers of the same categories intended for distribution grid.

Keywords: Diagnostic, Coupled Circuit Method, FRA, Transformer Faults

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1278 Model Predictive Control Using Thermal Inputs for Crystal Growth Dynamics

Authors: Takashi Shimizu, Tomoaki Hashimoto

Abstract:

Recently, crystal growth technologies have made progress by the requirement for the high quality of crystal materials. To control the crystal growth dynamics actively by external forces is useuful for reducing composition non-uniformity. In this study, a control method based on model predictive control using thermal inputs is proposed for crystal growth dynamics of semiconductor materials. The control system of crystal growth dynamics considered here is governed by the continuity, momentum, energy, and mass transport equations. To establish the control method for such thermal fluid systems, we adopt model predictive control known as a kind of optimal feedback control in which the control performance over a finite future is optimized with a performance index that has a moving initial time and terminal time. The objective of this study is to establish a model predictive control method for crystal growth dynamics of semiconductor materials.

Keywords: Model predictive control, optimal control, crystal growth, process control.

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1277 A Coupled Model for Two-Phase Simulation of a Heavy Water Pressure Vessel Reactor

Authors: Damian Ramajo, Santiago Corzo, Norberto Nigro

Abstract:

A Multi-dimensional computational fluid dynamics (CFD) two-phase model was developed with the aim to simulate the in-core coolant circuit of a pressurized heavy water reactor (PHWR) of a commercial nuclear power plant (NPP). Due to the fact that this PHWR is a Reactor Pressure Vessel type (RPV), three-dimensional (3D) detailed modelling of the large reservoirs of the RPV (the upper and lower plenums and the downcomer) were coupled with an in-house finite volume one-dimensional (1D) code in order to model the 451 coolant channels housing the nuclear fuel. Regarding the 1D code, suitable empirical correlations for taking into account the in-channel distributed (friction losses) and concentrated (spacer grids, inlet and outlet throttles) pressure losses were used. A local power distribution at each one of the coolant channels was also taken into account. The heat transfer between the coolant and the surrounding moderator was accurately calculated using a two-dimensional theoretical model. The implementation of subcooled boiling and condensation models in the 1D code along with the use of functions for representing the thermal and dynamic properties of the coolant and moderator (heavy water) allow to have estimations of the in-core steam generation under nominal flow conditions for a generic fission power distribution. The in-core mass flow distribution results for steady state nominal conditions are in agreement with the expected from design, thus getting a first assessment of the coupled 1/3D model. Results for nominal condition were compared with those obtained with a previous 1/3D single-phase model getting more realistic temperature patterns, also allowing visualize low values of void fraction inside the upper plenum. It must be mentioned that the current results were obtained by imposing prescribed fission power functions from literature. Therefore, results are showed with the aim of point out the potentiality of the developed model.

Keywords: CFD, PHWR, Thermo-hydraulic, Two-phase flow.

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1276 Towards Finite Element Modeling of the Accoustics of Human Head

Authors: Maciej Paszynski, Leszek Demkowicz, Jason Kurtz

Abstract:

In this paper, a new formulation for acoustics coupled with linear elasticity is presented. The primary objective of the work is to develop a three dimensional hp adaptive finite element method code destinated for modeling of acoustics of human head. The code will have numerous applications e.g. in designing hearing protection devices for individuals working in high noise environments. The presented work is in the preliminary stage. The variational formulation has been implemented and tested on a sequence of meshes with concentric multi-layer spheres, with material data representing the tissue (the brain), skull and the air. Thus, an efficient solver for coupled elasticity/acoustics problems has been developed, and tested on high contrast material data representing the human head.

Keywords: finite element method, acoustics, coupled problems, biomechanics

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1275 CFD Analysis of Multi-Phase Reacting Transport Phenomena in Discharge Process of Non-Aqueous Lithium-Air Battery

Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén

Abstract:

A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Computational Fluid Dynamics (CFD), Modeling, Multi-phase, Transport Phenomena, Lithium-air battery.

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1274 Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

Authors: Sanwu Wang, Hongli Dang, Wenhua Xue, Darwin Shields, Xin Liu, Friederike C. Jentoft, Daniel E. Resasco

Abstract:

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

Keywords: Ab initio molecular dynamics simulations, bio-fuels, density functional theory, liquid-solid interfaces.

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1273 On the Coupled Electromechanical Behavior of Artificial Materials with Chiral-Shell Elements

Authors: Anna Girchenko, Victor A. Eremeyev, Holm Altenbach

Abstract:

In the present work we investigate both the elastic and electric properties of a chiral material. We consider a composite structure made from a polymer matrix and anisotropic inclusions of GaAs taking into account piezoelectric and dielectric properties of the composite material. The principal task of the work is the estimation of the functional properties of the composite material.

Keywords: Coupled electromechanical behavior, Composite structure, Chiral metamaterial.

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1272 Evolutionary Dynamics on Small-World Networks

Authors: Jan Rychtar, Brian Stadler

Abstract:

We study how the outcome of evolutionary dynamics on graphs depends on a randomness on the graph structure. We gradually change the underlying graph from completely regular (e.g. a square lattice) to completely random. We find that the fixation probability increases as the randomness increases; nevertheless, the increase is not significant and thus the fixation probability could be estimated by the known formulas for underlying regular graphs.

Keywords: evolutionary dynamics, small-world networks

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