Search results for: Finite Element Modeling.
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3733

Search results for: Finite Element Modeling.

1663 Nonlinear Slow Shear Alfven Waves in Electron- Positron-Ion Plasma Including Full Ion Dynamics

Authors: B. Ghosh, H. Sahoo, K. K. Mondal

Abstract:

Propagation of arbitrary amplitude nonlinear Alfven waves has been investigated in low but finite β electron-positron-ion plasma including full ion dynamics. Using Sagdeev pseudopotential method an energy integral equation has been derived. The Sagdeev potential has been calculated for different plasma parameters and it has been shown that inclusion of ion parallel motion along the magnetic field changes the nature of slow shear Alfven wave solitons from dip type to hump type. The effects of positron concentration, plasma-β and obliqueness of the wave propagation on the solitary wave structure have also been examined.

Keywords: Alfven waves, Sagdeev potential, Solitary waves.

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1662 Genetic Algorithms in Hot Steel Rolling for Scale Defect Prediction

Authors: Jarno Haapamäki, Juha Röning

Abstract:

Scale defects are common surface defects in hot steel rolling. The modelling of such defects is problematic and their causes are not straightforward. In this study, we investigated genetic algorithms in search for a mathematical solution to scale formation. For this research, a high-dimensional data set from hot steel rolling process was gathered. The synchronisation of the variables as well as the allocation of the measurements made on the steel strip were solved before the modelling phase.

Keywords: Genetic algorithms, hot strip rolling, knowledge discovery, modeling.

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1661 Investigation of Artificial Neural Networks Performance to Predict Net Heating Value of Crude Oil by Its Properties

Authors: Mousavian, M. Moghimi Mofrad, M. H. Vakili, D. Ashouri, R. Alizadeh

Abstract:

The aim of this research is to use artificial neural networks computing technology for estimating the net heating value (NHV) of crude oil by its Properties. The approach is based on training the neural network simulator uses back-propagation as the learning algorithm for a predefined range of analytically generated well test response. The network with 8 neurons in one hidden layer was selected and prediction of this network has been good agreement with experimental data.

Keywords: Neural Network, Net Heating Value, Crude Oil, Experimental, Modeling.

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1660 Unsteady Flow between Two Concentric Rotating Spheres along with Uniform Transpiration

Authors: O. Mahian, A. B. Rahimi, A. Kianifar, A. Jabari Moghadam

Abstract:

In this study, the numerical solution of unsteady flow between two concentric rotating spheres with suction and blowing at their boundaries is presented. The spheres are rotating about a common axis of rotation while their angular velocities are constant. The Navier-Stokes equations are solved by employing the finite difference method and implicit scheme. The resulting flow patterns are presented for various values of the flow parameters including rotational Reynolds number Re , and a blowing/suction Reynolds number Rew . Viscous torques at the inner and the outer spheres are calculated, too. It is seen that increasing the amount of suction and blowing decrease the size of eddies generated in the annulus.

Keywords: Concentric spheres, numerical study, suction andblowing, unsteady flow, viscous torque.

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1659 Analysis of a Double Pipe Heat Exchanger Performance by Use of Porous Baffles and Nanofluids

Authors: N. Targui, H. Kahalerras

Abstract:

The present work is a numerical simulation of nanofluids flow in a double pipe heat exchanger provided with porous baffles. The hot nanofluid flows in the inner cylinder, whereas the cold nanofluid circulates in the annular gap. The Darcy- Brinkman-Forchheimer model is adopted to describe the flow in the porous regions, and the governing equations with the appropriate boundary conditions are solved by the finite volume method. The results reveal that the addition of metallic nanoparticles enhances the rate of heat transfer in comparison to conventional fluids but this augmentation is accompanied by an increase in pressure drop. The highest heat exchanger performances are obtained when nanoparticles are added only to the cold fluid.

Keywords: Double pipe heat exchanger, Nanofluids, Nanoparticles, Porous baffles.

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1658 Study on Clarification of the Core Technology in a Monozukuri Company

Authors: Nishiyama Toshiaki, Tadayuki Kyountani, Nguyen Huu Phuc, Shigeyuki Haruyama, Oke Oktavianty

Abstract:

It is important to clarify the company’s core technology in product development process to strengthen their power in providing technology that meets the customer requirement. QFD method is adopted to clarify the core technology through identifying the high element technologies that are related to the voice of customer, and offer the most delightful features for customer. AHP is used to determine the importance of evaluating factors. A case study was conducted by using this approach in Japan’s Monozukuri Company (so called manufacturing company) to clarify their core technology based on customer requirements.

Keywords: QFD, product development process, core technology, AHP.

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1657 On the Free-Surface Generated by the Flow over an Obstacle in a Hydraulic Channel

Authors: M. Bouhadef, K. Bouzelha-Hammoum, T. Guendouzen-Dabouz, A. Younsi, T. Zitoun

Abstract:

The aim of this paper is to report the different experimental studies, conducted in the laboratory, dealing with the flow in the presence of an obstacle lying in a rectangular hydraulic channel. Both subcritical and supercritical regimes are considered. Generally, when considering the theoretical problem of the free-surface flow, in a fluid domain of finite depth, due to the presence of an obstacle, we suppose that the water is an inviscid fluid, which means that there is no sheared velocity profile, but constant upstream. In a hydraulic channel, it is impossible to satisfy this condition. Indeed, water is a viscous fluid and its velocity is null at the bottom. The two configurations are presented, i.e. a flow over an obstacle and a towed obstacle in a resting fluid.

Keywords: Experiments, free-surface flow, hydraulic channel, subcritical regime, supercritical flow.

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1656 Minimal Residual Method for Adaptive Filtering with Finite Termination

Authors: Noor Atinah Ahmad, Shazia Javed

Abstract:

We present a discussion of three adaptive filtering algorithms well known for their one-step termination property, in terms of their relationship with the minimal residual method. These algorithms are the normalized least mean square (NLMS), Affine Projection algorithm (APA) and the recursive least squares algorithm (RLS). The NLMS is shown to be a result of the orthogonality condition imposed on the instantaneous approximation of the Wiener equation, while APA and RLS algorithm result from orthogonality condition in multi-dimensional minimal residual formulation. Further analysis of the minimal residual formulation for the RLS leads to a triangular system which also possesses the one-step termination property (in exact arithmetic)

Keywords: Adaptive filtering, minimal residual method, projection method.

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1655 Detection Characteristics of the Random and Deterministic Signals in Antenna Arrays

Authors: Olesya Bolkhovskaya, Alexey Davydov, Alexander Maltsev

Abstract:

In this paper, approach to incoherent signal detection in multi-element antenna array are researched and modeled. Two types of useful signals with unknown wavefront were considered: first one, deterministic (Barker code), and second one, random (Gaussian distribution). The derivation of the sufficient statistics took into account the linearity of the antenna array. The performance characteristics and detecting curves are modeled and compared for different useful signals parameters and for different number of elements of the antenna array. Results of researches in case of some additional conditions can be applied to a digital communications systems.

Keywords: Antenna array, detection curves, performance characteristics, quadrature processing, signal detection.

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1654 Computer Models of the Vestibular Head Tilt Response, and Their Relationship to EVestG and Meniere's Disease

Authors: Daniel Heibert, Brian Lithgow, Kerry Hourigan

Abstract:

This paper attempts to explain response components of Electrovestibulography (EVestG) using a computer simulation of a three-canal model of the vestibular system. EVestG is a potentially new diagnostic method for Meniere's disease. EVestG is a variant of Electrocochleography (ECOG), which has been used as a standard method for diagnosing Meniere's disease - it can be used to measure the SP/AP ratio, where an SP/AP ratio greater than 0.4-0.5 is indicative of Meniere-s Disease. In EVestG, an applied head tilt replaces the acoustic stimulus of ECOG. The EVestG output is also an SP/AP type plot, where SP is the summing potential, and AP is the action potential amplitude. AP is thought of as being proportional to the size of a population of afferents in an excitatory neural firing state. A simulation of the fluid volume displacement in the vestibular labyrinth in response to various types of head tilts (ipsilateral, backwards and horizontal rotation) was performed, and a simple neural model based on these simulations developed. The simple neural model shows that the change in firing rate of the utricle is much larger in magnitude than the change in firing rates of all three semi-circular canals following a head tilt (except in a horizontal rotation). The data suggests that the change in utricular firing rate is a minimum 2-3 orders of magnitude larger than changes in firing rates of the canals during ipsilateral/backward tilts. Based on these results, the neural response recorded by the electrode in our EVestG recordings is expected to be dominated by the utricle in ipsilateral/backward tilts (It is important to note that the effect of the saccule and efferent signals were not taken into account in this model). If the utricle response dominates the EVestG recordings as the modeling results suggest, then EVestG has the potential to diagnose utricular hair cell damage due to a viral infection (which has been cited as one possible cause of Meniere's Disease).

Keywords: Diagnostic, endolymph hydrops, Meniere's disease, modeling.

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1653 Aeroelastic Response for Pure Plunging Motion of a Typical Section Due to Sharp Edged Gust, Using Jones Approximation Aerodynamics

Authors: M. H. Kargarnovin, A. Mamandi

Abstract:

This paper presents investigation effects of a sharp edged gust on aeroelastic behavior and time-domain response of a typical section model using Jones approximate aerodynamics for pure plunging motion. Flutter analysis has been done by using p and p-k methods developed for presented finite-state aerodynamic model for a typical section model (airfoil). Introduction of gust analysis as a linear set of ordinary differential equations in a simplified procedure has been carried out by using transformation into an eigenvalue problem.

Keywords: Aeroelastic response, jones approximation, pure plunging motion, sharp edged gust.

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1652 Meshed Antenna for Ku-band Wireless Communication

Authors: Chokri Baccouch, Chayma Bahhar, Hedi Sakli, Nizar Sakli

Abstract:

In this article, we present the combination of an antenna patch structure with a photovoltaic cell in one device for telecommunication applications in isolated environments. The radiating patch element of a patch antenna was replaced by a solar cell. DC current generation is the original feature of the solar cell, but now it was additionally able to receive and transmit electromagnetic waves. A mathematical model which serves in the minimization of power losses of the cell and therefore the improvement in conversion performance was studied. Simulation results of this antenna show a resonance at a frequency of 16.55 GHz in Ku-band with a gain of 4.24 dBi.

Keywords: Electric power collected, optical and electrical losses, optimization of the grid of collection, patch antenna, photovoltaic cell.

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1651 Optimal Resource Configuration and Allocation Planning Problem for Bottleneck Machines and Auxiliary Tools

Authors: Yin-Yann Chen, Tzu-Ling Chen

Abstract:

This study presents the case of an actual Taiwanese semiconductor assembly and testing manufacturer. Three major bottleneck manufacturing processes, namely, die bond, wire bond, and molding, are analyzed to determine how to use finite resources to achieve the optimal capacity allocation. A medium-term capacity allocation planning model is developed by considering the optimal total profit to satisfy the promised volume demanded by customers and to obtain the best migration decision among production lines for machines and tools. Finally, sensitivity analysis based on the actual case is provided to explore the effect of various parameter levels.

Keywords: Capacity planning, capacity allocation, machine migration, resource configuration.

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1650 A Direct Probabilistic Optimization Method for Constrained Optimal Control Problem

Authors: Akbar Banitalebi, Mohd Ismail Abd Aziz, Rohanin Ahmad

Abstract:

A new stochastic algorithm called Probabilistic Global Search Johor (PGSJ) has recently been established for global optimization of nonconvex real valued problems on finite dimensional Euclidean space. In this paper we present convergence guarantee for this algorithm in probabilistic sense without imposing any more condition. Then, we jointly utilize this algorithm along with control parameterization technique for the solution of constrained optimal control problem. The numerical simulations are also included to illustrate the efficiency and effectiveness of the PGSJ algorithm in the solution of control problems.

Keywords: Optimal Control Problem, Constraints, Direct Methods, Stochastic Algorithm

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1649 Modelling and Analyzing a Hospital Procedureusing a Petri-Net Approach

Authors: Mourtou Efstratia, Abdel-Badeeh M. Salem, Pavlidis George

Abstract:

Hierarchical high-level PNs (HHPNs) with time versions are a useful tool to model systems in a variety of application domains, ranging from logistics to complex workflows. This paper addresses an application domain which is receiving more and more attention: procedure that arranges the final inpatient charge in payment-s office and their management. We shall prove that Petri net based analysis is able to improve the delays during the procedure, in order that inpatient charges could be more reliable and on time.

Keywords: eHealth, Petri-Nets, Hospital Services, InpatientCharges, Workflow Modeling.

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1648 Towards an AS Level Network Performance Model

Authors: Huan Xiong, Ming Chen

Abstract:

In order to research Internet quantificationally and better model the performance of network, this paper proposes a novel AS level network performance model (MNPM), it takes autonomous system (AS) as basic modeling unit, measures E2E performance between any two outdegrees of an AS and organizes measurement results into matrix form which called performance matrix (PM). Inter-AS performance calculation is defined according to performance information stored in PM. Simulation has been implemented to verify the correctness of MNPM and a practical application of MNPM (network congestion detection) is given.

Keywords: AS, network performance, model, metric, congestion.

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1647 Simulation of Online Communities Using MAS Social and Spatial Organisations

Authors: Maya Rupert, Salima Hassas, Carlos Li, John Sherwood

Abstract:

Online Communities are an example of sociallyaware, self-organising, complex adaptive computing systems. The multi-agent systems (MAS) paradigm coordinated by self-organisation mechanisms has been used as an effective way for the simulation and modeling of such systems. In this paper, we propose a model for simulating an online health community using a situated multi-agent system approach, governed by the co-evolution of the social and spatial organisations of the agents.

Keywords: multi-agent systems, organizations, online communities.

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1646 Broadband Annular-Ring Dielectric Resonator Antenna

Authors: Mohammad J. Almalkawi

Abstract:

A broadband wire monopole antenna loaded by inhomogeneous stack of annular dielectric ring resonators (DRRs) is proposed. The proposed antenna exhibits a broad impedance bandwidth from 3 to 30 GHz. This is achieved by adding an external step matching network at the antenna feed point. The matching network is comprised of three annular DRRs possessing different permittivity values and sharing the same axial over a finite ground plane. The antenna performance is characterized using full-wave EM simulation. Compared to previous-reported wire antennas with improved bandwidth achieved by DRRs, the proposed topology provides relatively compact realization and superior broadband performance.

Keywords: Broadband, dielectric ring resonator, wire monopole antenna.

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1645 Comparison of Detached Eddy Simulations with Turbulence Modeling

Authors: Muhammad Amjad Sohail, Prof. Yan Chao, Mukkarum Husain

Abstract:

Flow field around hypersonic vehicles is very complex and difficult to simulate. The boundary layers are squeezed between shock layer and body surface. Resolution of boundary layer, shock wave and turbulent regions where the flow field has high values is difficult of capture. Detached eddy simulation (DES) is a modification of a RANS model in which the model switches to a subgrid scale formulation in regions fine enough for LES calculations. Regions near solid body boundaries and where the turbulent length scale is less than the maximum grid dimension are assigned the RANS mode of solution. As the turbulent length scale exceeds the grid dimension, the regions are solved using the LES mode. Therefore the grid resolution is not as demanding as pure LES, thereby considerably cutting down the cost of the computation. In this research study hypersonic flow is simulated at Mach 8 and different angle of attacks to resolve the proper boundary layers and discontinuities. The flow is also simulated in the long wake regions. Mesh is little different than RANS simulations and it is made dense near the boundary layers and in the wake regions to resolve it properly. Hypersonic blunt cone cylinder body with frustrum at angle 5o and 10 o are simulated and there aerodynamics study is performed to calculate aerodynamics characteristics of different geometries. The results and then compared with experimental as well as with some turbulence model (SA Model). The results achieved with DES simulation have very good resolution as well as have excellent agreement with experimental and available data. Unsteady simulations are performed for DES calculations by using duel time stepping method or implicit time stepping. The simulations are performed at Mach number 8 and angle of attack from 0o to 10o for all these cases. The results and resolutions for DES model found much better than SA turbulence model.

Keywords: Detached eddy simulation, dual time stepping, hypersonic flow, turbulence modeling

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1644 An Exact Solution to Support Vector Mixture

Authors: Monjed Ezzeddinne, Nicolas Lefebvre, Régis Lengellé

Abstract:

This paper presents a new version of the SVM mixture algorithm initially proposed by Kwok for classification and regression problems. For both cases, a slight modification of the mixture model leads to a standard SVM training problem, to the existence of an exact solution and allows the direct use of well known decomposition and working set selection algorithms. Only the regression case is considered in this paper but classification has been addressed in a very similar way. This method has been successfully applied to engine pollutants emission modeling.

Keywords: Identification, Learning systems, Mixture ofExperts, Support Vector Machines.

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1643 Probabilistic Simulation of Triaxial Undrained Cyclic Behavior of Soils

Authors: Arezoo Sadrinezhad, Kallol Sett, S. I. Hariharan

Abstract:

In this paper, a probabilistic framework based on Fokker-Planck-Kolmogorov (FPK) approach has been applied to simulate triaxial cyclic constitutive behavior of uncertain soils. The framework builds upon previous work of the writers, and it has been extended for cyclic probabilistic simulation of triaxial undrained behavior of soils. von Mises elastic-perfectly plastic material model is considered. It is shown that by using probabilistic framework, some of the most important aspects of soil behavior under cyclic loading can be captured even with a simple elastic-perfectly plastic constitutive model.

Keywords: Elasto-plasticity, uncertainty, soils, Fokker-Planck equation, Fourier Spectral method, Finite Difference method.

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1642 Approximate Frequent Pattern Discovery Over Data Stream

Authors: Kittisak Kerdprasop, Nittaya Kerdprasop

Abstract:

Frequent pattern discovery over data stream is a hard problem because a continuously generated nature of stream does not allow a revisit on each data element. Furthermore, pattern discovery process must be fast to produce timely results. Based on these requirements, we propose an approximate approach to tackle the problem of discovering frequent patterns over continuous stream. Our approximation algorithm is intended to be applied to process a stream prior to the pattern discovery process. The results of approximate frequent pattern discovery have been reported in the paper.

Keywords: Frequent pattern discovery, Approximate algorithm, Data stream analysis.

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1641 Contact Problem for an Elastic Layered Composite Resting on Rigid Flat Supports

Authors: T. S. Ozsahin, V. Kahya, A. Birinci, A. O. Cakiroglu

Abstract:

In this study, the contact problem of a layered composite which consists of two materials with different elastic constants and heights resting on two rigid flat supports with sharp edges is considered. The effect of gravity is neglected. While friction between the layers is taken into account, it is assumed that there is no friction between the supports and the layered composite so that only compressive tractions can be transmitted across the interface. The layered composite is subjected to a uniform clamping pressure over a finite portion of its top surface. The problem is reduced to a singular integral equation in which the contact pressure is the unknown function. The singular integral equation is evaluated numerically and the results for various dimensionless quantities are presented in graphical forms.

Keywords: Frictionless contact, Layered composite, Singularintegral equation, The theory of elasticity.

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1640 Inverse Heat Transfer Analysis of a Melting Furnace Using Levenberg-Marquardt Method

Authors: Mohamed Hafid, Marcel Lacroix

Abstract:

This study presents a simple inverse heat transfer procedure for predicting the wall erosion and the time-varying thickness of the protective bank that covers the inside surface of the refractory brick wall of a melting furnace. The direct problem is solved by using the Finite-Volume model. The melting/solidification process is modeled using the enthalpy method. The inverse procedure rests on the Levenberg-Marquardt method combined with the Broyden method. The effect of the location of the temperature sensors and of the measurement noise on the inverse predictions is investigated. Recommendations are made concerning the location of the temperature sensor.

Keywords: Melting furnace, inverse heat transfer, enthalpy method, Levenberg–Marquardt Method.

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1639 Photonic Crystals for Novel Applications in Integrated-Optic Communication Systems and Devices

Authors: Vijay Janyani, Neetu Joshi, Jigyasa Pagaria, Parul Pathak

Abstract:

Photonic Crystal (PhC) based devices are being increasingly used in multifunctional, compact devices in integrated optical communication systems. They provide excellent controllability of light, yet maintaining the small size required for miniaturization. In this paper, the band gap properties of PhCs and their typical applications in optical waveguiding are considered. Novel PhC based applications such as nonlinear switching and tapers are considered and simulation results are shown using the accurate time-domain numerical method based on Finite Difference Time Domain (FDTD) scheme. The suitability of these devices for novel applications is discussed and evaluated.

Keywords: Band gap engineering, Nonlinear switching, Photonic crystals, PhC tapers, waveguides.

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1638 Software Technology Behind Computer Accounting

Authors: M. Župan, V. Budimir

Abstract:

The main problems of data centric and open source project are large number of developers and changes of core framework. Model-View-Control (MVC) design pattern significantly improved the development and adjustments of complex projects. Entity framework as a Model layer in MVC architecture has simplified communication with the database. How often are the new technologies used and whether they have potentials for designing more efficient Enterprise Resource Planning (ERP) system that will be more suited to accountants?

Keywords: Accounting, Enterprise Resource Planning, Model- View-Control, Object Role Modeling, Open Source

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1637 Surface Water Flow of Urban Areas and Sustainable Urban Planning

Authors: Sheetal Sharma

Abstract:

Urban planning is associated with land transformation from natural areas to modified and developed ones which leads to modification of natural environment. The basic knowledge of relationship between both should be ascertained before proceeding for the development of natural areas. Changes on land surface due to build up pavements, roads and similar land cover, affect surface water flow. There is a gap between urban planning and basic knowledge of hydrological processes which should be known to the planners. The paper aims to identify these variations in surface flow due to urbanization for a temporal scale of 40 years using Storm Water Management Mode (SWMM) and again correlating these findings with the urban planning guidelines in study area along with geological background to find out the suitable combinations of land cover, soil and guidelines. For the purpose of identifying the changes in surface flows, 19 catchments were identified with different geology and growth in 40 years facing different ground water levels fluctuations. The increasing built up, varying surface runoff are studied using Arc GIS and SWMM modeling, regression analysis for runoff. Resulting runoff for various land covers and soil groups with varying built up conditions were observed. The modeling procedures also included observations for varying precipitation and constant built up in all catchments. All these observations were combined for individual catchment and single regression curve was obtained for runoff. Thus, it was observed that alluvial with suitable land cover was better for infiltration and least generation of runoff but excess built up could not be sustained on alluvial soil. Similarly, basalt had least recharge and most runoff demanding maximum vegetation over it. Sandstone resulted in good recharging if planned with more open spaces and natural soils with intermittent vegetation. Hence, these observations made a keystone base for planners while planning various land uses on different soils. This paper contributes and provides a solution to basic knowledge gap, which urban planners face during development of natural surfaces.

Keywords: Runoff, built up, roughness, recharge, temporal changes.

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1636 Modeling, Analysis and Simulation of 4-Phase Boost Converter

Authors: Nagulapati Kiran, V. Rangavalli, B. Vanajakshi

Abstract:

This paper designs the four-phase Boost Converter which overcomes the problem of high input ripple current and output ripple voltage. Digital control is more convenient for such a topology on basis of synchronization, phase shift operation, etc. Simulation results are presented for open-loop and closed-loop for four phase boost converter. This control scheme is applicable for PFC rectifiers as well. Thus a comparative analysis based on the obtained results is performed.

Keywords: Boost Converter, Bode plot, PI Controller, Four phase.

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1635 Investigation on Nanoparticle Velocity in Two Phase Approach

Authors: E. Mat Tokit, Yusoff M. Z, Mohammed H.

Abstract:

Numerical investigation on the generality of nanoparticle velocity equation had been done on the previous published work. The three dimensional governing equations (continuity, momentum and energy) were solved using finite volume method (FVM). Parametric study of thermal performance between pure water-cooled and nanofluid-cooled are evaluated for volume fraction in the range of 1% to 4%, and nanofluid type of gamma-Al2O3 at Reynolds number range of 67.41 to 286.77. The nanofluid is modeled using single and two phase approach. Three different existing Brownian motion velocities are applied in comparing the generality of the equation for a wide parametric condition. Deviation in between the Brownian motion velocity is identified to be due to the different means of mean free path and constant value used in diffusion equation.

Keywords: Brownian nanoparticle velocity, heat transfer enhancement, nanofluid, two phase model.

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1634 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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