Search results for: Smart structure
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3004

Search results for: Smart structure

2374 Connecting Lives Inside and Outside the Classroom: Why and How to Implement Technology in the Language Learning Classroom

Authors: Geoffrey Sinha

Abstract:

This paper is primarily addressed to teachers who stand on the threshold of bringing technology and new media into their classrooms. Technology and new media, such as smart phones and tablets have changed the face of communication in general and of language teaching more specifically. New media has widespread appeal among young people in particular, so it is in the teacher’s best interests to bring new media into their lessons. It is the author’s firm belief that technology will never replace the teacher, but it is without question that the twenty-first century teacher must employ technology and new media in some form, or run the risk of failure. The level that one chooses to incorporate new media within their class is entirely in their hands.

Keywords: New media, social media, technology, education.

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2373 Smartphone-Based Human Activity Recognition by Machine Learning Methods

Authors: Yanting Cao, Kazumitsu Nawata

Abstract:

As smartphones are continually upgrading, their software and hardware are getting smarter, so the smartphone-based human activity recognition will be described more refined, complex and detailed. In this context, we analyzed a set of experimental data, obtained by observing and measuring 30 volunteers with six activities of daily living (ADL). Due to the large sample size, especially a 561-feature vector with time and frequency domain variables, cleaning these intractable features and training a proper model become extremely challenging. After a series of feature selection and parameters adjustments, a well-performed SVM classifier has been trained. 

Keywords: smart sensors, human activity recognition, artificial intelligence, SVM

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2372 PSO Based Weight Selection and Fixed Structure Robust Loop Shaping Control for Pneumatic Servo System with 2DOF Controller

Authors: Randeep Kaur, Jyoti Ohri

Abstract:

This paper proposes a new technique to design a fixed-structure robust loop shaping controller for the pneumatic servosystem. In this paper, a new method based on a particle swarm optimization (PSO) algorithm for tuning the weighting function parameters to design an H∞ controller is presented. The PSO algorithm is used to minimize the infinity norm of the transfer function of the nominal closed loop system to obtain the optimal parameters of the weighting functions. The optimal stability margin is used as an objective in PSO for selecting the optimal weighting parameters; it is shown that the proposed method can simplify the design procedure of H∞ control to obtain optimal robust controller for pneumatic servosystem. In addition, the order of the proposed controller is much lower than that of the conventional robust loop shaping controller, making it easy to implement in practical works. Also two-degree-of-freedom (2DOF) control design procedure is proposed to improve tracking performance in the face of noise and disturbance. Result of simulations demonstrates the advantages of the proposed controller in terms of simple structure and robustness against plant perturbations and disturbances.

Keywords: Robust control, Pneumatic Servosystem, PSO, H∞ control, 2DOF.

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2371 Simultaneous Reaction-Separation in a Microchannel Reactor with the Aid of a Guideline Structure

Authors: Salah Aljbour, Hiroshi Yamada, Tomohiko Tagawa

Abstract:

A microchannel with two inlets and two outlets was tested as a potential reactor to carry out two-phase catalytic phase transfer reaction with phase separation at the exit of the microchannel. The catalytic phase transfer reaction between benzyl chloride and sodium sulfide was chosen as a model reaction. The effect of operational time on the conversion was studied. By utilizing a multiphase parallel flow inside the microchannel reactor with the aid of a guideline structure, the catalytic phase reaction followed by phase separation could be ensured. The organic phase could be separated completely from one exit and part of the aqueous phase was separated purely and could be reused with slightly affecting the catalytic phase transfer reaction.

Keywords: Green engineering, microchannel reactor, multiphase reaction, process intensification.

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2370 Comparative Study of Three DGS Unit Shapes and Compact Microstrip Low-Pass and Band-Pass Filters Designs

Authors: M. Challal, F. Labu, M. Dehmas, A. Azrar

Abstract:

In this paper, three types of defected ground structure (DGS) units which are triangular-head (TH), rectangular-head (RH) and U-shape (US) are investigated. They are further used to low-pass and band-pass filters designs (LPF and BPF) and the obtained performances are examined. The LPF employing RH-DGS geometry presents the advantages of compact size, low-insertion loss and wide stopband compared to the other filters. It provides cutoff frequency of 2.5 GHz, largest rejection band width of 20 dB from 2.98 to 8.76 GHz, smallest transition region and smallest sharpness of the cutoff frequency. The BPF based on RH-DGS has the highest bandwidth (BW) of about 0.74 GHz and the lowest center frequency of 3.24 GHz, whereas the other BPFs have BWs less than 0.7 GHz.

Keywords: Defected ground structure (DGS), triangular-head(TH) DGS, rectangular-head (RH) DGS, U-shape (US) DGS, lowpassfilter (LPF) and band-pass filter (BPF).

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2369 An Improved Cooperative Communication Scheme for IoT System

Authors: Eui-Hak Lee, Jae-Hyun Ro, Hyoung-Kyu Song

Abstract:

In internet of things (IoT) system, the communication scheme with reliability and low power is required to connect a terminal. Cooperative communication can achieve reliability and lower power than multiple-input multiple-output (MIMO) system. Cooperative communication increases the reliability with low power, but decreases a throughput. It has a weak point that the communication throughput is decreased. In this paper, a novel scheme is proposed to increase the communication throughput. The novel scheme is a transmission structure that increases transmission rate. A decoding scheme according to the novel transmission structure is proposed. Simulation results show that the proposed scheme increases the throughput without bit error rate (BER) performance degradation.

Keywords: Cooperative communication, IoT, STBC, Transmission rate.

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2368 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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2367 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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2366 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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2365 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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2364 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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2363 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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2362 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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2361 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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2360 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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2359 ClassMATE: Enabling Ambient Intelligence in the Classroom

Authors: Asterios Leonidis, George Margetis, Margherita Antona, Constantine Stephanidis

Abstract:

Ambient Intelligence (AmI) environments bring significant potential to exploit sophisticated computer technology in everyday life. In particular, the educational domain could be significantly enhanced through AmI, as personalized and adapted learning could be transformed from paper concepts and prototypes to real-life scenarios. In this paper, an integrated framework is presented, named ClassMATE, supporting ubiquitous computing and communication in a school classroom. The main objective of ClassMATE is to enable pervasive interaction and context aware education in the technologically augmented classroom of the future.

Keywords: Ambient intelligence, smart classroom, pervasivecomputing, education.

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2358 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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2357 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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2356 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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2355 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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2354 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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2353 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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2352 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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2351 A General Stochastic Spatial MIMO Channel Model for Evaluating Various MIMO Techniques

Authors: Fang Shu, Li Lihua, Zhang Ping

Abstract:

A general stochastic spatial MIMO channel model is proposed for evaluating various MIMO techniques in this paper. It can generate MIMO channels complying with various MIMO configurations such as smart antenna, spatial diversity and spatial multiplexing. The modeling method produces the stochastic fading involving delay spread, Doppler spread, DOA (direction of arrival), AS (angle spread), PAS (power azimuth Spectrum) of the scatterers, antenna spacing and the wavelength. It can be applied in various MIMO technique researches flexibly with low computing complexity.

Keywords: MIMO channel, Spatial Correlation, DOA, AS, PAS.

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2350 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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2349 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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2348 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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2347 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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2346 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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2345 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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