Search results for: sub minimal structure
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2791

Search results for: sub minimal structure

2311 Color and Layout-based Identification of Documents Captured from Handheld Devices

Authors: Ardhendu Behera, Denis Lalanne, Rolf Ingold

Abstract:

This paper proposes a method, combining color and layout features, for identifying documents captured from low-resolution handheld devices. On one hand, the document image color density surface is estimated and represented with an equivalent ellipse and on the other hand, the document shallow layout structure is computed and hierarchically represented. Our identification method first uses the color information in the documents in order to focus the search space on documents having a similar color distribution, and finally selects the document having the most similar layout structure in the remaining of the search space.

Keywords: Document color modeling, document visualsignature, kernel density estimation, document identification.

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2310 Control of a DC Servomotor Using Fuzzy Logic Sliding Mode Model Following Controller

Authors: Phongsak Phakamach

Abstract:

A DC servomotor position control system using a Fuzzy Logic Sliding mode Model Following Control or FLSMFC approach is presented. The FLSMFC structure consists of an integrator and variable structure system. The integral control is introduced into it in order to eliminated steady state error due to step and ramp command inputs and improve control precision, while the fuzzy control would maintain the insensitivity to parameter variation and disturbances. The FLSMFC strategy is implemented and applied to a position control of a DC servomotor drives. Experimental results indicated that FLSMFC system performance with respect to the sensitivity to parameter variations is greatly reduced. Also, excellent control effects and avoids the chattering phenomenon.

Keywords: Sliding mode model following control, fuzzy logic, DC servomotor.

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2309 Slovenian Spatial Legislation over Time and Its Issues

Authors: Andreja Benko

Abstract:

Article presents a short overview of the architects’ profession over time with outlined work of the architectural theoreticians. In the continuation is described a former affiliation of Slovenia as well as the spatial planning documents that were in use until the Slovenia joint Yugoslavia (last part in 1919). This legislation from former Austro-Hungarian monarchy was valid almost until 1950 in some parts of Yugoslavia even longer. Upon that will be mentioned some valid Slovenian spatial documents which will be compared with the German legislation. Analyzed will be the number of architect and spatial planners in Slovenia and also their number upon certain region in Slovenia. Based on that will be given also the number from statistical office of Slovenia of the number of buildings between years 2007 and 2012, and described also the collapse of the major construction companies in Slovenia and consequences of that. At the end will be outlined the morality and ethics by spatial interventions and lack of the architectural law in Slovenia as well as the problematic of minimal collaboration between the Ministry of infrastructure and spatial planning with the profession.

Keywords: Architect, history, legislation, Slovenia.

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2308 Influence of Slenderness Ratio on the Ductility of Reinforced Concrete Portal Structures

Authors: Kahil Amar, Nekmouche Aghiles, Titouche Billal, Hamizi Mohand, Hannachi Naceur Eddine

Abstract:

The ductility is an important parameter in the nonlinear behavior of portal structures reinforced concrete. It may be explained by the ability of the structure to deform in the plastic range, or the geometric characteristics in the map may influence the overall ductility. Our study is based on the influence of geometric slenderness (Lx / Ly) on the overall ductility of these structures, a study is made on a structure has 05 floors with varying the column section of 900 cm², 1600 cm² and 1225 cm². A slight variation in global ductility is noticed as (Lx/Ly) varies; however, column sections can control satisfactorily the plastic behavior of buildings.

Keywords: Ductility, nonlinear behavior, pushover analysis, geometric slenderness, structural behavior.

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2307 A Survey on MAC Protocols for Vehicular Ad-Hoc Networks

Authors: B. Cynthia Sherin, E. A. Mary Anita

Abstract:

Vehicular Ad-hoc Network (VANET) is an emerging and very promising technology that has great demand on the access capability of the existing wireless technology. VANETs help improve traffic safety and efficiency. Each vehicle can exchange their information to inform the other vehicles about the current status of the traffic flow or a dangerous situation such as an accident. To achieve these, a reliable and efficient Medium Access Control (MAC) protocol with minimal transmission collisions is required. High speed nodes, absence of infrastructure, variations in topology and their QoS requirements makes it difficult for designing a MAC protocol in vehicular networks. There are several MAC protocols proposed for VANETs to ensure that all the vehicles could send safety messages without collisions by reducing the end-to-end delay and packet loss ratio. This paper gives an overview of the several proposed MAC protocols for VANETs along with their benefits and limitations and presents an overall classification based on their characteristics.

Keywords: MAC Protocols, QoS, VANET, V2V, V2I.

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2306 Influence Analysis of Pelamis Wave Energy Converter Structure Parameters

Authors: Liu Shengnan, Sun Liping, Zhu Jianxun

Abstract:

Based on three dimensional potential flow theory and hinged rigid body motion equations, structure RAOs of Pelamis wave energy converter is analyzed. Analysis of numerical simulation is carried out on Pelamis in the irregular wave conditions, and the motion response of structures and total generated power is obtained. The paper analyzes influencing factors on the average power including diameter of floating body, section form of floating body, draft, hinged stiffness and damping. The optimum parameters are achieved in Zhejiang Province. Compared with the results of the pelamis experiment made by Glasgow University, the method applied in this paper is feasible.

Keywords: Pelamis, Hinge, Floating multibody, Wave energy

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2305 Islanding Detection Techniques for Synchronous Distributed Generation

Authors: Bharti B. Parmar, Vivek J. Pandya

Abstract:

The issue of unintentional islanding detection of grid connected synchronous distributed generation (SDG) remains the most challenging task faced by the distributed generation (DG) industry as SDG is highly capable of prolonging an island. This paper gives an insight of anti-islanding detection techniques mainly applied for SDG. Different techniques conclude that it is challenging to point out a generic method for a distinct purpose as the application of particular practice depends on nature of the end use and system dependent elements. Also, the setup and operational cost affect the selection of anti-islanding technique to achieve minimal compromising between cost and system quality. A test bench is created in the MATLAB/Simulink® to demonstrate the results of a 33 kV system. The results are highly satisfactory and they are according to the current practices.

Keywords: Synchronous distributed generation, islanding, point of common coupling, loss of grid.

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2304 Crystalline Model Approach for Studying the Nuclear Properties of Light Nuclei

Authors: A. Amar, O. Hemeda

Abstract:

A study of the structure of the nucleus with the analogy by solid-state physics has been developed. We have used binding energy to calculate R (a parameter that is proportional to the radius of the nucleus) for deuteron, alpha, and 8Be. The calculated parameter r calculated from solid state physics produces a probe for calculation the nuclear radii. 8Be has special attention as it is radioactive nucleus and the latest nucleus to be calculated from crystalline model approach. The distribution of nucleons inside the nucleus is taken to be tetrahedral for 16O. The model has failed to expect the radius of 9Be which is an impression about the modification should be done on the model at near future. A comparison between our calculations and those from literature has been made, and a good agreement has been obtained.

Keywords: The structure of the nucleus, binding energy, crystalline model approach, nuclear radii, tetrahedral for 16O.

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2303 Models to Customise Web Service Discovery Result using Static and Dynamic Parameters

Authors: Kee-Leong Tan, Cheng-Suan Lee, Hui-Na Chua

Abstract:

This paper presents three models which enable the customisation of Universal Description, Discovery and Integration (UDDI) query results, based on some pre-defined and/or real-time changing parameters. These proposed models detail the requirements, design and techniques which make ranking of Web service discovery results from a service registry possible. Our contribution is two fold: First, we present an extension to the UDDI inquiry capabilities. This enables a private UDDI registry owner to customise or rank the query results, based on its business requirements. Second, our proposal utilises existing technologies and standards which require minimal changes to existing UDDI interfaces or its data structures. We believe these models will serve as valuable reference for enhancing the service discovery methods within a private UDDI registry environment.

Keywords: Web service, discovery, semantic, SOA, registry, UDDI.

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2302 Simulation Study of Lateral Trench Gate Power MOSFET on 4H-SiC

Authors: Yashvir Singh, Mayank Joshi

Abstract:

A lateral trench-gate power metal-oxide-semiconductor on 4H-SiC is proposed. The device consists of two separate trenches in which two gates are placed on both sides of P-body region resulting two parallel channels. Enhanced current conduction and reduced-surface-field effect in the structure provide substantial improvement in the device performance. Using two dimensional simulations, the performance of proposed device is evaluated and compare of with that of the conventional device for same cell pitch. It is demonstrated that the proposed structure provides two times higher output current, 11% decrease in threshold voltage, 70% improvement in transconductance, 70% reduction in specific ON-resistance, 52% increase in breakdown voltage, and nearly eight time improvement in figure-of-merit over the conventional device.

Keywords: 4H-SiC, lateral, trench-gate, power MOSFET.

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2301 Systematic Unit-Memory Binary Convolutional Codes from Linear Block Codes over F2r + vF2r

Authors: John Mark Lampos, Virgilio Sison

Abstract:

Two constructions of unit-memory binary convolutional codes from linear block codes over the finite semi-local ring F2r +vF2r , where v2 = v, are presented. In both cases, if the linear block code is systematic, then the resulting convolutional encoder is systematic, minimal, basic and non-catastrophic. The Hamming free distance of the convolutional code is bounded below by the minimum Hamming distance of the block code. New examples of binary convolutional codes that meet the Heller upper bound for systematic codes are given.

Keywords: Convolutional codes, semi-local ring, free distance, Heller bound.

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2300 XML Data Management in Compressed Relational Database

Authors: Hongzhi Wang, Jianzhong Li, Hong Gao

Abstract:

XML is an important standard of data exchange and representation. As a mature database system, using relational database to support XML data may bring some advantages. But storing XML in relational database has obvious redundancy that wastes disk space, bandwidth and disk I/O when querying XML data. For the efficiency of storage and query XML, it is necessary to use compressed XML data in relational database. In this paper, a compressed relational database technology supporting XML data is presented. Original relational storage structure is adaptive to XPath query process. The compression method keeps this feature. Besides traditional relational database techniques, additional query process technologies on compressed relations and for special structure for XML are presented. In this paper, technologies for XQuery process in compressed relational database are presented..

Keywords: XML, compression, query processing

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2299 Preparation and Characterisation of Chemically Activated Almond Shells by Optimization of Adsorption Parameters for Removal of Chromium VI from Aqueous Solutions

Authors: Inamullah Bhatti, Khadija Qureshi, R. A. Kazi, Abdul Khalique Ansari

Abstract:

Activated carbon was prepared from agricultural waste “almond (Prunus amygdalus) nut shells" by chemical activation with phosphoric acid as an activating agent at 450 °C for 24 hr soaking time. The physical and chemical properties were analyzed. The adsorption of chromium VI from aqueous solution on almond nut shell activated carbon (ASAC) was investigated. The adsorption process parameters pH, agitation speed, agitation time, adsorbent dose were optimized. 98% of Cr VI was sorbed at pH 2 and stirring speed 200 rpm.. Surface structure showed that ASAC has a spongy type structure showing large number of pores

Keywords: adsorption, sorbent , sorbate and activation

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2298 Fault Tolerance in Distributed Database Systems

Authors: M. A. Adeboyejo, O. O. Adeosun

Abstract:

Pioneer networked systems assume that connections are reliable, and a faulty operation will be considered in case of losing a connection. Transient connections are typical of mobile devices. Areas of application of data sharing system such as these, lead to the conclusion that network connections may not always be reliable, and that the conventional approaches can be improved. Nigerian commercial banking industry is a critical system whose operation is increasingly becoming dependent on information technology (IT) driven information system. The proposed solution to this problem makes use of a hierarchically clustered network structure which we selected to reflect (as much as possible) the typical organizational structure of the Nigerian commercial banks. Representative transactions such as data updates and replication of the results of such updates were used to simulate the proposed model to show its applicability.

Keywords: Dependability, reliability, data redundancy.

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2297 Radiation Effects in the PVDF/Graphene Oxide Nanocomposites

Authors: Juliana V. Pereira, Adriana S. M. Batista, Jefferson P. Nascimento, Clascídia A. Furtado, Luiz O. Faria

Abstract:

Exposure to ionizing radiation has been found to induce changes in poly(vinylidene fluoride) (PVDF) homopolymers. The high dose gamma irradiation process induces the formation of C=C and C=O bonds in its [CH2-CF2]n main chain. The irradiation also provokes crosslinking and chain scission. All these radio-induced defects lead to changes in the PVDF crystalline structure. As a consequence, it is common to observe a decrease in the melting temperature (TM) and melting latent heat (LM) and some changes in its ferroelectric features. We have investigated the possibility of preparing nanocomposites of PVDF with graphene oxide (GO) through the radio-induction of molecular bonds. In this work, we discuss how the gamma radiation interacts with the nanocomposite crystalline structure.

Keywords: Gamma irradiation, grapheme oxide, nanocomposites, PVDF.

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2296 55 dB High Gain L-Band EDFA Utilizing Single Pump Source

Authors: M. H. Al-Mansoori, W. S. Al-Ghaithi, F. N. Hasoon

Abstract:

In this paper, we experimentally investigate the performance of an efficient high gain triple-pass L-band Erbium-Doped Fiber (EDF) amplifier structure with a single pump source. The amplifier gain and noise figure variation with EDF pump power, input signal power and wavelengths have been investigated. The generated backward Amplified Spontaneous Emission (ASE) noise of the first amplifier stage is suppressed by using a tunable band-pass filter. The amplifier achieves a signal gain of 55 dB with low noise figure of 3.8 dB at -50 dBm input signal power. The amplifier gain shows significant improvement of 12.8 dB compared to amplifier structure without ASE suppression.

Keywords: Optical amplifiers, EDFA, L-band, optical networks.

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2295 Earthquake Analysis of Reinforce Concrete Framed Structures with Added Viscous Dampers

Authors: F. Hejazi, J. Noorzaei, M. S. Jaafar, A. A. Abang Abdullah

Abstract:

This paper describes the development of a numerical finite element algorithm used for the analysis of reinforced concrete structure equipped with shakes energy absorbing device subjected to earthquake excitation. For this purpose a finite element program code for analysis of reinforced concrete frame buildings is developed. The performance of developed program code is evaluated by analyzing of a reinforced concrete frame buildings model. The results are show that using damper device as seismic energy dissipation system effectively can reduce the structural response of framed structure during earthquake occurrence.

Keywords: Viscous Damper, finite element, program coding

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2294 Effect of Two Radial Fins on Heat Transfer and Flow Structure in a Horizontal Annulus

Authors: Anas El Amraoui, Abdelkhalek Cheddadi, Mohammed Touhami Ouazzani

Abstract:

Laminar natural convection in a cylindrical annular cavity filled with air and provided with two fins is studied numerically using the discretization of the governing equations with the Centered Finite Difference method based on the Alternating Direction Implicit (ADI) scheme. The fins are attached to the inner cylinder of radius ri (hot wall of temperature Ti). The outer cylinder of radius ro is maintained at a temperature To (To < Ti). Two values of the dimensionless thickness of the fins are considered: 0.015 and 0.203. We consider a low fin height equal to 0.078 and medium fin heights equal to 0.093 and 0.203. The position of the fin is 0.82π and the radius ratio is equal to 2. The effect of Rayleigh number, Ra, on the flow structure and heat transfer is analyzed for a range of Ra from 103 to 104. The results for established flow structures and heat transfer at low height indicate that the flow regime that occurs is unicellular for all Ra and fin thickness; in addition, the heat transfer rate increases with increasing Rayleigh number and is the same for both thicknesses. At median fin heights 0.093 and 0.203, the increase of Rayleigh number leads to transitions of flow structure which correspond to significant variations of the heat transfer. The critical Rayleigh numbers, Rac.app and Rac.disp corresponding to the appearance of the bicellular flow regime and its disappearance, are determined and their influence on the change of heat transfer rate is analyzed.

Keywords: Natural convection, fins, critical Rayleigh number, heat transfer, fluid flow regime, horizontal annulus.

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2293 Dynamic Analysis of the Dome with Arches and Rings from Romexpo Bucharest

Authors: V. Precupas, A. Ivan, M. Ivan

Abstract:

The dome with ribs and rings, which covers the ROMEXPO pavilion from Bucharest, was designed after the collapse of the single layer reticulated dome. In this paper, it was made the checking of the structure, under the dynamic loads with three recorded accelerograms calibrated according to Romanian seismic design code P100-1/2006. Under the action the dynamic loadings, it was made a time-history analysis to determine the zones where the plastic hinges appear, at what accelerations and their position on the structure. The studied dome is formed by 32 spatial semi arches and three rings: one circular ring located at the top of the dome and another two rings, design as trusses, the first near the supports and the second as an intermediate rings above the skylights. Above the skylights up to the top, the dome is tight together with purlins and bracings.

Keywords: dome, dynamic analysis, plastic hinges, time-history

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2292 Geometry Design Supported by Minimizing and Visualizing Collision in Dynamic Packing

Authors: Johan Segeborn, Johan S. Carlson, Robert Bohlin, Rikard Söderberg

Abstract:

This paper presents a method to support dynamic packing in cases when no collision-free path can be found. The method, which is primarily based on path planning and shrinking of geometries, suggests a minimal geometry design change that results in a collision-free assembly path. A supplementing approach to optimize geometry design change with respect to redesign cost is described. Supporting this dynamic packing method, a new method to shrink geometry based on vertex translation, interweaved with retriangulation, is suggested. The shrinking method requires neither tetrahedralization nor calculation of medial axis and it preserves the topology of the geometry, i.e. holes are neither lost nor introduced. The proposed methods are successfully applied on industrial geometries.

Keywords: Dynamic packing, path planning, shrinking.

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2291 Evaluation of Salivary Nickel Level during Orthodontic Treatment

Authors: Mudafara S. Bengleil, Juma M. Orfi, Iman Abdelgader

Abstract:

Since nickel is a known toxic and carcinogenic metal, the present study was designed to evaluate the level of nickel released into the saliva of orthodontic patients. Non-stimulated saliva was collected from 18 patients attending The Orthodontic Clinic of Dental Faculty of Benghazi University. Patients were divided into two groups and level of nickel was determined by atomic absorption spectrophotometry. Nickel concentration value (mg/L) in first group prior to starting treatment was 0.097± 0.071. An increase in level of nickel was followed by decrease 4 and 8 weeks after applying the arch wire (0.208± 0.112) and (0.077±0.056 mg/L) respectively. Nickel levels in saliva of the second group were showed minimal variation and ranged from 0.061± 0.044mg/L to 0.083±0.054 throughout period of study. It may be concluded that there could be a release of nickel from the appliances used in first group but it doesn't reach toxic level in saliva.

Keywords: Atomic absorption spectrophotometry, nickel, orthodontic treatment, saliva, toxicity.

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2290 Solution of Two-Point Nonlinear Boundary Problems Using Taylor Series Approximation and the Ying Buzu Shu Algorithm

Authors: U. C. Amadi, N. A. Udoh

Abstract:

One of the major challenges faced in solving initial and boundary problems is how to find approximate solutions with minimal deviation from the exact solution without so much rigor and complications. The Taylor series method provides a simple way of obtaining an infinite series which converges to the exact solution for initial value problems and this method of solution is somewhat limited for a two point boundary problem since the infinite series has to be truncated to include the boundary conditions. In this paper, the Ying Buzu Shu algorithm is used to solve a two point boundary nonlinear diffusion problem for the fourth and sixth order solution and compare their relative error and rate of convergence to the exact solution.

Keywords: Ying Buzu Shu, nonlinear boundary problem, Taylor series algorithm, infinite series.

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2289 How are Equalities Defined, Strong or Weak on a Multiple Algebra?

Authors: Mona Taheri

Abstract:

For the purpose of finding the quotient structure of multiple algebras such as groups, Abelian groups and rings, we will state concepts of ( strong or weak ) equalities on multiple algebras, which will lead us to research on how ( strong or weak) are equalities defined on a multiple algebra over the quotients obtained from it. In order to find a quotient structure of multiple algebras such as groups, Abelian groups and loops, a part of this article has been allocated to the concepts of equalities (strong and weak) of the defined multiple functions on multiple algebras. This leads us to do research on how defined equalities (strong and weak) are made in the multiple algebra on its resulted quotient.

Keywords: Multiple algebra, mathematics, universal algebra.

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2288 Energy Planning Analysis of an Agritourism Complex Based on Energy Demand Simulation: A Case Study of Wuxi Yangshan Agritourism Complex

Authors: Li Zhu, Binghua Wang, Yong Sun

Abstract:

China is experiencing the rural development process, with the agritourism complex becoming one of the significant modes. Therefore, it is imperative to understand the energy performance of agritourism complex. This study focuses on a typical case of the agritourism complex and simulates the energy consumption performance on condition of the regular energy system. It was found that HVAC took 90% of the whole energy demand range. In order to optimize the energy supply structure, the hierarchical analysis was carried out on the level of architecture with three main factors such as construction situation, building types and energy demand types. Finally, the energy planning suggestion of the agritourism complex was put forward and the relevant results were obtained.

Keywords: Agritourism complex, energy planning, energy demand simulation, hierarchical structure model.

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2287 Fluid Structure Interaction Induced by Liquid Slosh in Partly Filled Road Tankers

Authors: Guorong Yan, Subhash Rakheja

Abstract:

The liquid cargo contained in a partly-filled road tank vehicle is prone to dynamic slosh movement when subjected to external disturbances. The slosh behavior has been identified as a significant factor impairing the safety of liquid cargo transportation. The laboratory experiments have been conducted for analyzing fluid slosh in partly filled tanks. The experiment results measured under forced harmonic excitations reveal the three-dimensional nature of the fluid motion and coupling between the lateral and longitudinal fluid slosh at resonance. Several spectral components are observed for the transient slosh forces, which can be associated with the excitation, resonance, and beat frequencies. The peak slosh forces and moments in the vicinity of resonance are significantly larger than those of the equivalent rigid mass. Due to the nature of coupling between sloshing fluid and vehicle body, the issue of the dynamic fluid-structure interaction is essential in the analysis of tank-vehicle dynamics. A dynamic pitch plane model of a Tridem truck incorporated the fluid slosh dynamics is developed to analyze the fluid-vehicle interaction under the straight-line braking maneuvers. The results show that the vehicle responses are highly associated with the characteristics of fluid slosh force and moment.

Keywords: Braking performance, fluid induced vibration, fluidslosh, fluid structure interaction, tank trucks, vehicle dynamics.

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2286 Particle Swarm Optimization Approach on Flexible Structure at Wiper Blade System

Authors: A. Zolfagharian, M.Z. Md. Zain, A. R. AbuBakar, M. Hussein

Abstract:

Application of flexible structures has been significantly, increased in industry and aerospace missions due to their contributions and unique advantages over the rigid counterparts. In this paper, vibration analysis of a flexible structure i.e., automobile wiper blade is investigated and controlled. The wiper generates unwanted noise and vibration during the wiping the rain and other particles on windshield which may cause annoying noise in different ranges of frequency. A two dimensional analytical modeled wiper blade whose model accuracy is verified by numerical studies in literature is considered in this study. Particle swarm optimization (PSO) is employed in alliance with input shaping (IS) technique in order to control or to attenuate the amplitude level of unwanted noise/vibration of the wiper blade.

Keywords: Input shaping, noise reduction, particle swarmoptimization, wiper blade

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2285 Genetic Programming Approach to Hierarchical Production Rule Discovery

Authors: Basheer M. Al-Maqaleh, Kamal K. Bharadwaj

Abstract:

Automated discovery of hierarchical structures in large data sets has been an active research area in the recent past. This paper focuses on the issue of mining generalized rules with crisp hierarchical structure using Genetic Programming (GP) approach to knowledge discovery. The post-processing scheme presented in this work uses flat rules as initial individuals of GP and discovers hierarchical structure. Suitable genetic operators are proposed for the suggested encoding. Based on the Subsumption Matrix(SM), an appropriate fitness function is suggested. Finally, Hierarchical Production Rules (HPRs) are generated from the discovered hierarchy. Experimental results are presented to demonstrate the performance of the proposed algorithm.

Keywords: Genetic Programming, Hierarchy, Knowledge Discovery in Database, Subsumption Matrix.

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2284 Simplified Analysis on Steel Frame Infill with FRP Composite Panel

Authors: HyunSu Seo, HoYoung Son, Sungjin Kim, WooYoung Jung

Abstract:

In order to understand the seismic behavior of steel frame structure with infill FRP composite panel, simple models for simulation on the steel frame with the panel systems were developed in this study. To achieve the simple design method of the steel framed structure with the damping panel system, 2-D finite element analysis with the springs and dashpots models was conducted in ABAQUS. Under various applied spring stiffness and dashpot coefficient, the expected hysteretic energy responses of the steel frame with damping panel systems we investigated. Using the proposed simple design method which decides the stiffness and the damping, it is possible to decide the FRP and damping materials on a steel frame system.

Keywords: Interface damping layer, steel frame, seismic, FRP.

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2283 Describing the Fine Electronic Structure and Predicting Properties of Materials with ATOMIC MATTERS Computation System

Authors: Rafal Michalski, Jakub Zygadlo

Abstract:

We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.

Keywords: Atomic matters, crystal electric field, spin-orbit coupling, localized states, electron subshell, fine electronic structure.

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2282 Conformation Prediction of Human Plasmin and Docking on Gold Nanoparticle

Authors: Wen-Shyong Tzou, Chih-Ching Huang, Chin-Hwa Hu, Ying-Tsang Lo, Tun-Wen Pai, Chia-Yin Chiang, Chung-Hao Li, Hong-Jyuan Jian

Abstract:

Plasmin plays an important role in the human circulatory system owing to its catalytic ability of fibrinolysis. The immediate injection of plasmin in patients of strokes has intrigued many scientists to design vectors that can transport plasmin to the desired location in human body. Here we predict the structure of human plasmin and investigate the interaction of plasmin with the gold-nanoparticle. Because the crystal structure of plasminogen has been solved, we deleted N-terminal domain (Pan-apple domain) of plasminogen and generate a mimic of the active form of this enzyme (plasmin). We conducted a simulated annealing process on plasmin and discovered a very large conformation occurs. Kringle domains 1, 4 and 5 had been observed to leave its original location relative to the main body of the enzyme and the original doughnut shape of this enzyme has been transformed to a V-shaped by opening its two arms. This observation of conformational change is consistent with the experimental results of neutron scattering and centrifugation. We subsequently docked the plasmin on the simulated gold surface to predict their interaction. The V-shaped plasmin could utilize its Kringle domain and catalytic domain to contact the gold surface. Our findings not only reveal the flexibility of plasmin structure but also provide a guide for the design of a plasmin-gold nanoparticle.

Keywords: Docking, gold nanoparticle, molecular simulation, plasmin.

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