Search results for: long-term computational analysis
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9417

Search results for: long-term computational analysis

9267 An Improved Quality Adaptive Rate Filtering Technique Based on the Level Crossing Sampling

Authors: Saeed Mian Qaisar, Laurent Fesquet, Marc Renaudin

Abstract:

Mostly the systems are dealing with time varying signals. The Power efficiency can be achieved by adapting the system activity according to the input signal variations. In this context an adaptive rate filtering technique, based on the level crossing sampling is devised. It adapts the sampling frequency and the filter order by following the input signal local variations. Thus, it correlates the processing activity with the signal variations. Interpolation is required in the proposed technique. A drastic reduction in the interpolation error is achieved by employing the symmetry during the interpolation process. Processing error of the proposed technique is calculated. The computational complexity of the proposed filtering technique is deduced and compared to the classical one. Results promise a significant gain of the computational efficiency and hence of the power consumption.

Keywords: Level Crossing Sampling, Activity Selection, Rate Filtering, Computational Complexity, Interpolation Error.

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9266 An Overview of Project Management Application in Computational Fluid Dynamics

Authors: Sajith Sajeev

Abstract:

The application of Computational Fluid Dynamics (CFD) is widespread in engineering and industry, including aerospace, automotive, and energy. CFD simulations necessitate the use of intricate mathematical models and a substantial amount of computational power to accurately describe the behavior of fluids. The implementation of CFD projects can be difficult, and a well-structured approach to project management is required to assure the timely and cost-effective delivery of high-quality results. This paper's objective is to provide an overview of project management in CFD, including its problems, methodologies, and best practices. The study opens with a discussion of the difficulties connected with CFD project management, such as the complexity of the mathematical models, the need for extensive computational resources, and the difficulties associated with validating and verifying the results. In addition, the study examines the project management methodologies typically employed in CFD, such as the Traditional/Waterfall model, Agile and Scrum. Comparisons are made between the advantages and disadvantages of each technique, and suggestions are made for their effective implementation in CFD projects. The study concludes with a discussion of the best practices for project management in CFD, including the utilization of a well-defined project scope, a clear project plan, and effective teamwork. In addition, it highlights the significance of continuous process improvement and the utilization of metrics to monitor progress and discover improvement opportunities. This article is a resource for project managers, researchers, and practitioners in the field of CFD. It can aid in enhancing project outcomes, reducing risks, and enhancing the productivity of CFD projects. This paper provides a complete overview of project management in CFD and is a great resource for individuals who wish to implement efficient project management methods in CFD projects.

Keywords: Project management, Computational Fluid Dynamics, Traditional/Waterfall methodology, agile methodology, scrum methodology.

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9265 Heuristic Method for Judging the Computational Stability of the Difference Schemes of the Biharmonic Equation

Authors: Guang Zeng, Jin Huang, Zicai Li

Abstract:

In this paper, we research the standard 13-point difference schemes for solving the biharmonic equation. Heuristic method is applied to judging the stability of multi-level difference schemes of the biharmonic equation. It is showed that the standard 13-point difference schemes are stable.

Keywords: Finite-difference equation, computational stability, hirt method.

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9264 Recent Advances on Computational Proteomics

Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

Abstract:

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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9263 CFD Simulations for Studying Flow Behaviors in Dipping Tank in Continuous Latex Gloves Production Lines

Authors: W. Koranuntachai, T. Chantrasmi, U. Nontakaew

Abstract:

Medical latex gloves are made from the latex compound in production lines. Latex dipping is considered one of the most important processes that directly affect the final product quality. In a continuous production line, a chain conveyor carries the formers through the process and partially submerges them into an open channel flow in a latex dipping tank. In general, the conveyor speed is determined by the desired production capacity, and the latex-dipping tank can then be designed accordingly. It is important to understand the flow behavior in the dipping tank in order to achieve high quality in the process. In this work, Computational Fluid Dynamics (CFD) was used to simulate the flow past an array of formers in a simplified latex dipping process. The computational results showed both the flow structure and the vortex generation between two formers. The maximum shear stress over the surface of the formers was used as the quality metric of the latex-dipping process when adjusting operation parameters.

Keywords: medical latex gloves, latex dipping, dipping tank, computational fluid dynamics

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9262 A Study of Computational Organizational Narrative Generation for Decision Support

Authors: Yeung C.L., Cheung C.F., Wang W.M., Tsui E.

Abstract:

Narratives are invaluable assets of human lives. Due to the distinct features of narratives, they are useful for supporting human reasoning processes. However, many useful narratives become residuals in organizations or human minds nowadays. Researchers have contributed effort to investigate and improve narrative generation processes. This paper attempts to contemplate essential components in narratives and explore a computational approach to acquire and extract knowledge to generate narratives. The methodology and significant benefit for decision support are presented.

Keywords: Decision Support, Knowledge Management, Knowledge-based Systems, Narrative Generation

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9261 Experimental Validation of the Predicted Performance of a Wind Driven Venturi Ventilator

Authors: M. A. Serag-Eldin

Abstract:

The paper presents the results of simple measurements conducted on a model of a wind-driven venturi-type room ventilator. The ventilator design is new and was developed employing mathematical modeling. However, the computational model was not validated experimentally for the particular application considered. The paper presents the performance of the ventilator model under laboratory conditions, for five different wind tunnel speeds. The results are used to both demonstrate the effectiveness of the new design and to validate the computational model employed to develop it.

Keywords: Venturi-flow, ventilation, Wind-energy, Wind flow.

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9260 Aerodynamic Analysis of Dimple Effect on Aircraft Wing

Authors: E. Livya, G. Anitha, P. Valli

Abstract:

The main objective of aircraft aerodynamics is to enhance the aerodynamic characteristics and maneuverability of the aircraft. This enhancement includes the reduction in drag and stall phenomenon. The airfoil which contains dimples will have comparatively less drag than the plain airfoil. Introducing dimples on the aircraft wing will create turbulence by creating vortices which delays the boundary layer separation resulting in decrease of pressure drag and also increase in the angle of stall. In addition, wake reduction leads to reduction in acoustic emission. The overall objective of this paper is to improve the aircraft maneuverability by delaying the flow separation point at stall and thereby reducing the drag by applying the dimple effect over the aircraft wing. This project includes both computational and experimental analysis of dimple effect on aircraft wing, using NACA 0018 airfoil. Dimple shapes of Semi-sphere, hexagon, cylinder, square are selected for the analysis; airfoil is tested under the inlet velocity of 30m/s and 60m/s at different angle of attack (5˚, 10˚, 15˚, 20˚, and 25˚). This analysis favors the dimple effect by increasing L/D ratio and thereby providing the maximum aerodynamic efficiency, which provides the enhanced performance for the aircraft.

Keywords: Airfoil, Boundary layer, Dimple effect, Flow separation, Stall reduction.

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9259 Morpho-Phonological Modelling in Natural Language Processing

Authors: Eleni Galiotou, Angela Ralli

Abstract:

In this paper we propose a computational model for the representation and processing of morpho-phonological phenomena in a natural language, like Modern Greek. We aim at a unified treatment of inflection, compounding, and word-internal phonological changes, in a model that is used for both analysis and generation. After discussing certain difficulties cuase by well-known finitestate approaches, such as Koskenniemi-s two-level model [7] when applied to a computational treatment of compounding, we argue that a morphology-based model provides a more adequate account of word-internal phenomena. Contrary to the finite state approaches that cannot handle hierarchical word constituency in a satisfactory way, we propose a unification-based word grammar, as the nucleus of our strategy, which takes into consideration word representations that are based on affixation and [stem stem] or [stem word] compounds. In our formalism, feature-passing operations are formulated with the use of the unification device, and phonological rules modeling the correspondence between lexical and surface forms apply at morpheme boundaries. In the paper, examples from Modern Greek illustrate our approach. Morpheme structures, stress, and morphologically conditioned phoneme changes are analyzed and generated in a principled way.

Keywords: Morpho-Phonology, Natural Language Processing.

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9258 Application of Functional Network to Solving Classification Problems

Authors: Yong-Quan Zhou, Deng-Xu He, Zheng Nong

Abstract:

In this paper two models using a functional network were employed to solving classification problem. Functional networks are generalized neural networks, which permit the specification of their initial topology using knowledge about the problem at hand. In this case, and after analyzing the available data and their relations, we systematically discuss a numerical analysis method used for functional network, and apply two functional network models to solving XOR problem. The XOR problem that cannot be solved with two-layered neural network can be solved by two-layered functional network, which reveals a potent computational power of functional networks, and the performance of the proposed model was validated using classification problems.

Keywords: Functional network, neural network, XOR problem, classification, numerical analysis method.

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9257 CFD Analysis of Passive Cooling Building by Using Solar Chimney System

Authors: Naci Kalkan, Ihsan Dagtekin

Abstract:

This research presents the design and analysis of solar air-conditioning systems particularly solar chimney which is a passive strategy for natural ventilation, and demonstrates the structures of these systems’ using Computational Fluid Dynamic (CFD) and finally compares the results with several examples, which have been studied experimentally and carried out previously. In order to improve the performance of solar chimney system, highly efficient sub-system components are considered for the design. The general purpose of the research is to understand how efficiently solar chimney systems generate cooling, and is to improve the efficient of such systems for integration with existing and future domestic buildings.

Keywords: Solar cooling system, solar chimney, active and passive solar technologies, natural ventilation, cavity depth, CFD models for solar chimney.

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9256 CFD Simulation for Air-Borne Infection Analysis in AII-Room

Authors: Young Kwon Yang, In Sung Kang, Jung Ha Hwang, Jin Chul Park

Abstract:

The present study is a foundational study for performance improvements on isolation wards to prevent proliferation of secondary infection of infectious diseases such as SARS, H1N1, and MERS inside hospitals. Accordingly, the present study conducted an analysis of the effect of sealing mechanisms and filling of openings on ensuring air tightness performance in isolation wards as well as simulation on air currents in improved isolation wards. The study method is as follows. First, previous studies on aerial infection type and mechanism were reviewed, and the review results were utilized as basic data of analysis on simulation of air current. Second, national and international legislations and regulations in relation to isolation wards as well as case studies on developed nations were investigated in order to identify the problems in isolation wards in Korea and improvement plans. Third, construction and facility plans were compared and analyzed between general and isolation wards focusing on large general hospitals in Korea, thereby conducting comparison and analysis on the performance and effects of air-tightness of general and isolation wards through CFD simulations. The study results showed that isolation wards had better air-tightness performance than that of general wards.

Keywords: AII Room, air-borne infection, CFD, computational fluid dynamics.

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9255 Neuro-Fuzzy Algorithm for a Biped Robotic System

Authors: Hataitep Wongsuwarn, Djitt Laowattana

Abstract:

This paper summaries basic principles and concepts of intelligent controls, implemented in humanoid robotics as well as recent algorithms being devised for advanced control of humanoid robots. Secondly, this paper presents a new approach neuro-fuzzy system. We have included some simulating results from our computational intelligence technique that will be applied to our humanoid robot. Subsequently, we determine a relationship between joint trajectories and located forces on robot-s foot through a proposed neuro-fuzzy technique.

Keywords: Biped Robot, Computational Intelligence, Static and Dynamic Walking, Gait Synthesis, Neuro-Fuzzy System.

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9254 Thermal Analysis of a Transport Refrigeration Power Pack Unit Using a Coupled 1D/3D Simulation Approach

Authors: A. Kospach, A. Mladek, M. Waltenberger, F. Schilling

Abstract:

In this work, a coupled 1D/3D simulation approach for thermal protection and optimization of a trailer refrigeration power pack unit was developed. With the developed 1D/3D simulation approach thermal critical scenarios, such as summer, high-load scenarios are investigated. The 1D thermal model was built up consisting of the thermal network, which includes different point masses and associated heat transfers, the coolant and oil circuits, as well as the fan unit. The 3D computational fluid dynamics (CFD) model was developed to model the air flow through the power pack unit considering convective heat transfer effects. In the 1D thermal model the temperatures of the individual point masses were calculated, which served as input variables for the 3D CFD model. For the calculation of the point mass temperatures in the 1D thermal model, the convective heat transfer rates from the 3D CFD model were required as input variables. These two variables (point mass temperatures and convective heat transfer rates) were the main couple variables for the coupled 1D/3D simulation model. The coupled 1D/3D model was validated with measurements under normal operating conditions. Coupled simulations for summer high-load case were than performed and compared with a reference case under normal operation conditions. Hot temperature regions and components could be identified. Due to the detailed information about the flow field, temperatures and heat fluxes, it was possible to directly derive improvement suggestions for the cooling design of the transport refrigeration power pack unit.

Keywords: Coupled thermal simulation, thermal analysis, transport refrigeration unit, 3D computational fluid dynamics, 1D thermal modelling, thermal management systems.

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9253 Measurement and Analysis of Temperature Effects on Box Girders of Continuous Rigid Frame Bridges

Authors: Bugao Wang, Weifeng Wang, Xianwei Zeng

Abstract:

Researches on the general rules of temperature field changing and their effects on the bridge in construction are necessary. This paper investigated the rules of temperature field changing and its effects on bridge using onsite measurement and computational analysis. Guanyinsha Bridge was used as a case study in this research. The temperature field was simulated in analyses. The effects of certain boundary conditions such as sun radiance, wind speed, and model parameters such as heat factor and specific heat on temperature field are investigated. Recommended values for these parameters are proposed. The simulated temperature field matches the measured observations with high accuracy. At the same time, the stresses and deflections of the bridge computed with the simulated temperature field matches measured values too. As a conclusion, the temperature effect analysis of reinforced concrete box girder can be conducted directly based on the reliable weather data of the concerned area.

Keywords: continuous rigid frame bridge, temperature effectanalysis, temperature field, temperature field simulation

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9252 Burning Rate Response of Solid Fuels in Laminar Boundary Layer

Authors: A. M. Tahsini

Abstract:

Solid fuel transient burning behavior under oxidizer gas flow is numerically investigated. It is done using analysis of the regression rate responses to the imposed sudden and oscillatory variation at inflow properties. The conjugate problem is considered by simultaneous solution of flow and solid phase governing equations to compute the fuel regression rate. The advection upstream splitting method is used as flow computational scheme in finite volume method. The ignition phase is completely simulated to obtain the exact initial condition for response analysis. The results show that the transient burning effects which lead to the combustion instabilities and intermittent extinctions could be observed in solid fuels as the solid propellants.

Keywords: Extinction, Oscillation, Regression rate, Response, Transient burning.

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9251 Hybrid Finite Element Analysis of Expansion Joints for Piping Systems in Aircraft Engine External Configurations and Nuclear Power Plants

Authors: Dong Wook Lee

Abstract:

This paper presents a method to analyze the stiffness of the expansion joint with structural support using a hybrid method combining computational and analytical methods. Many expansion joints found in tubes and ducts of mechanical structures are designed to absorb thermal expansion mismatch between their structural members and deal with misalignments introduced from the assembly/manufacturing processes. One of the important design perspectives is the system’s vibrational characteristics. We calculate the stiffness as a characterization parameter for structural joint systems using a combined Finite Element Analysis (FEA) and an analytical method. We apply the methods to two sample applications: external configurations of aircraft engines and nuclear power plant structures.

Keywords: Expansion joint, expansion joint stiffness, Finite Element Analysis, FEA, nuclear power plants, aircraft engine external configurations.

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9250 Multi Switched Split Vector Quantization of Narrowband Speech Signals

Authors: M. Satya Sai Ram, P. Siddaiah, M. Madhavi Latha

Abstract:

Vector quantization is a powerful tool for speech coding applications. This paper deals with LPC Coding of speech signals which uses a new technique called Multi Switched Split Vector Quantization (MSSVQ), which is a hybrid of Multi, switched, split vector quantization techniques. The spectral distortion performance, computational complexity, and memory requirements of MSSVQ are compared to split vector quantization (SVQ), multi stage vector quantization(MSVQ) and switched split vector quantization (SSVQ) techniques. It has been proved from results that MSSVQ has better spectral distortion performance, lower computational complexity and lower memory requirements when compared to all the above mentioned product code vector quantization techniques. Computational complexity is measured in floating point operations (flops), and memory requirements is measured in (floats).

Keywords: Linear predictive Coding, Multi stage vectorquantization, Switched Split vector quantization, Split vectorquantization, Line Spectral Frequencies (LSF).

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9249 Compressive Stresses near Crack Tip Induced by Thermo-Electric Field

Authors: Thomas Jin-Chee Liu

Abstract:

In this paper, the thermo-electro-structural coupledfield in a cracked metal plate is studied using the finite element analysis. From the computational results, the compressive stresses reveal near the crack tip. This conclusion agrees with the past reference. Furthermore, the compressive condition can retard and stop the crack growth during the Joule heating process.

Keywords: Compressive stress, crack tip, Joule heating, finite element.

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9248 Coverage Strategies for Wireless Sensor Networks

Authors: Nor Azlina Ab. Aziz, Kamarulzaman Ab. Aziz, Wan Zakiah Wan Ismail

Abstract:

Coverage is one of the main research interests in wireless sensor networks (WSN), it is used to determine the quality of service (QoS) of the networks. Therefore this paper aims to review the common strategies use in solving coverage problem in WSN. The strategies studied are used during deployment phase where the coverage is calculated based on the placement of the sensors on the region of interest (ROI). The strategies reviewed are categorized into three groups based on the approaches used, namely; force based, grid based or computational geometry based approach.

Keywords: Computational geometry, coverage, Delaunay triangulation, force, grid, Voronoi diagram, wireless sensor networks.

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9247 A Computational Design Algorithm for Manufacturing of Reinforced Structures with Wire Winding

Authors: Amer Ezoji, Mohammad Sedighi

Abstract:

In the article, the wire winding process for the reinforcement of a pressure vessel frame has been studied. Firstly, the importance of the wire winding method has been explained and literature was reviewed. The main step in the design process is the methodology axial force control. The frame consists of two columns and two semi-cylinders with circumstantial wires. A computational algorithm has been presented based on the governing equations and relations on stress-strain behavior of the whole system of the frame.  Then a case study was studied to calculate the frame dimensions and wire winding procedure.

Keywords: Wire winding, Frame, stress, Design for Manufacturing.

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9246 Towards a Computational Model of Consciousness: Global Abstraction Workspace

Authors: Halim Djerroud, Arab Ali Cherif

Abstract:

We assume that conscious functions are implemented automatically. In other words that consciousness as well as the non-consciousness aspect of human thought, planning and perception, are produced by biologically adaptive algorithms. We propose that the mechanisms of consciousness can be produced using similar adaptive algorithms to those executed by the mechanism. In this paper, we present a computational model of consciousness, the ”Global Abstraction Workspace” which is an internal environmental modelling perceived as a multi-agent system. This system is able to evolve and generate new data and processes as well as actions in the environment.

Keywords: Artificial consciousness, cognitive architecture, global abstraction workspace, mutli-agents system.

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9245 Mixing Behaviors of Wet Granular Materials in Gas Fluidized Beds

Authors: Eldin Wee Chuan Lim

Abstract:

The mixing behaviors of dry and wet granular materials in gas fluidized bed systems were investigated computationally using the combined Computational Fluid Dynamics and Discrete Element Method (CFD-DEM). Dry particles were observed to mix fairly rapidly during the fluidization process due to vigorous relative motions between particles induced by the flow of gas. In contrast, due to the presence of strong cohesive forces arising from capillary liquid bridges between wet particles, the mixing efficiencies of wet granular materials under similar operating conditions were observed to be reduced significantly.

Keywords: Computational Fluid Dynamics, Discrete Element Method, Gas Fluidization, Mixing, Wet particles

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9244 Numerical Simulations of Flood and Inundation in Jobaru River Basin Using Laser Profiler Data

Authors: Hiroto Nakashima, Toshihiro Morita, Koichiro Ohgushi

Abstract:

Laser Profiler (LP) data from aerial laser surveys have been increasingly used as topographical inputs to numerical simulations of flooding and inundation in river basins. LP data has great potential for reproducing topography, but its effective usage has not yet been fully established. In this study, flooding and inundation are simulated numerically using LP data for the Jobaru River basin of Japan’s Saga Plain. The analysis shows that the topography is reproduced satisfactorily in the computational domain with urban and agricultural areas requiring different grid sizes. A 2-D numerical simulation shows that flood flow behavior changes as grid size is varied.

Keywords: LP data, numerical simulation, topological analysis, mesh size.

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9243 Greek Compounds: A Challenging Case for the Parsing Techniques of PC-KIMMO v.2

Authors: Angela Ralli, Eleni Galiotou

Abstract:

In this paper we describe the recognition process of Greek compound words using the PC-KIMMO software. We try to show certain limitations of the system with respect to the principles of compound formation in Greek. Moreover, we discuss the computational processing of phenomena such as stress and syllabification which are indispensable for the analysis of such constructions and we try to propose linguistically-acceptable solutions within the particular system.

Keywords: Morpho-phonological parsing, compound words, two-level morphology, natural language processing.

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9242 3-D Reconstruction of Objects Using Digital Fringe Projection: Survey and Experimental Study

Authors: R. Talebi, A. Abdel-Dayem, J. Johnson

Abstract:

Three-dimensional reconstruction of small objects has been one of the most challenging problems over the last decade. Computer graphics researchers and photography professionals have been working on improving 3D reconstruction algorithms to fit the high demands of various real life applications. Medical sciences, animation industry, virtual reality, pattern recognition, tourism industry, and reverse engineering are common fields where 3D reconstruction of objects plays a vital role. Both lack of accuracy and high computational cost are the major challenges facing successful 3D reconstruction. Fringe projection has emerged as a promising 3D reconstruction direction that combines low computational cost to both high precision and high resolution. It employs digital projection, structured light systems and phase analysis on fringed pictures. Research studies have shown that the system has acceptable performance, and moreover it is insensitive to ambient light. This paper presents an overview of fringe projection approaches. It also presents an experimental study and implementation of a simple fringe projection system. We tested our system using two objects with different materials and levels of details. Experimental results have shown that, while our system is simple, it produces acceptable results.

Keywords: Digital fringe projection, 3D reconstruction, phase unwrapping, phase shifting.

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9241 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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9240 A Neural Network Based Facial Expression Analysis using Gabor Wavelets

Authors: Praseeda Lekshmi.V, Dr.M.Sasikumar

Abstract:

Facial expression analysis is rapidly becoming an area of intense interest in computer science and human-computer interaction design communities. The most expressive way humans display emotions is through facial expressions. In this paper we present a method to analyze facial expression from images by applying Gabor wavelet transform (GWT) and Discrete Cosine Transform (DCT) on face images. Radial Basis Function (RBF) Network is used to classify the facial expressions. As a second stage, the images are preprocessed to enhance the edge details and non uniform down sampling is done to reduce the computational complexity and processing time. Our method reliably works even with faces, which carry heavy expressions.

Keywords: Face Expression, Radial Basis Function, GaborWavelet Transform, Human Computer Interaction.

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9239 Prediction of Binding Free Energies for Dyes Removal Using Computational Chemistry

Authors: R. Chanajaree, D. Luanwiset, K. Pongpratea

Abstract:

Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

Keywords: Dye removal, binding free energies, quantum calculation, docking.

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9238 Determination of an Efficient Differentiation Pathway of Stem Cells Employing Predictory Neural Network Model

Authors: Mughal Yar M, Israr Ul Haq, Bushra Noman

Abstract:

The stem cells have ability to differentiated themselves through mitotic cell division and various range of specialized cell types. Cellular differentiation is a way by which few specialized cell develops into more specialized.This paper studies the fundamental problem of computational schema for an artificial neural network based on chemical, physical and biological variables of state. By doing this type of study system could be model for a viable propagation of various economically important stem cells differentiation. This paper proposes various differentiation outcomes of artificial neural network into variety of potential specialized cells on implementing MATLAB version 2009. A feed-forward back propagation kind of network was created to input vector (five input elements) with single hidden layer and one output unit in output layer. The efficiency of neural network was done by the assessment of results achieved from this study with that of experimental data input and chosen target data. The propose solution for the efficiency of artificial neural network assessed by the comparatative analysis of “Mean Square Error" at zero epochs. There are different variables of data in order to test the targeted results.

Keywords: Computational shcmin, meiosis, mitosis, neuralnetwork, Stem cell SOM;

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