Search results for: Anomaly Behavior Detection.

Authors: Andreas Heindl, Alexander K. Seewald, Martin Schepelmann, Radu Rogojanu, Giovanna Bises, Theresia Thalhammer, Isabella Ellinger

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Bone remodeling occurs by the balanced action of bone resorbing osteoclasts (OC) and bone-building osteoblasts. Increased bone resorption by excessive OC activity contributes to malignant and non-malignant diseases including osteoporosis. To study OC differentiation and function, OC formed in in vitro cultures are currently counted manually, a tedious procedure which is prone to inter-observer differences. Aiming for an automated OC-quantification system, classification of OC and precursor cells was done on fluorescence microscope images based on the distinct appearance of fluorescent nuclei. Following ellipse fitting to nuclei, a combination of eight features enabled clustering of OC and precursor cell nuclei. After evaluating different machine-learning techniques, LOGREG achieved 74% correctly classified OC and precursor cell nuclei, outperforming human experts (best expert: 55%). In combination with the automated detection of total cell areas, this system allows to measure various cell parameters and most importantly to quantify proteins involved in osteoclastogenesis.

Keywords: osteoclasts, machine learning, ellipse fitting.

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Authors: D. H. Park, Y. H. Tak, H. H. Kwon, G. J. Kwon, H. G. Kim

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The purpose of this study is to develop a forging process of automotive parts that satisfies the deformation characteristics. The analyses of temperature variation and deformation behavior of the material are important to obtain the optimal forging products. The hot compression test was carried out to know formability at high temperature. In order to define the optimum forging conditions including material temperature, strain and forging load, the commercial finite element analysis code was used to simulate the forging procedure of engine mounting parts. Experimental results were compared with the simulation results by finite element analysis. Test results were in good agreement with the simulations.

Keywords: Cold forging, hot forging, engine mounting, automotive parts, optimization.

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Authors: Weidong Xia, Malgorzata Kolotylo, Xuan Tan

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This study examines the key factors that influence general practitioners’ learning and transfer of specialized arthritis knowledge and self-care techniques to patients during normal patient visits. Drawing on the theory of planed behavior and using matched survey data collected from general practitioners before and after training sessions provided by specialized orthopedic physicians, the study suggests that the general practitioner’s intention to use and transfer learned knowledge was influenced mainly by intrinsic motivation, organizational learning culture and absorptive capacity, but was not influenced by extrinsic motivation. The results provide both theoretical and practical implications.

Keywords: Empirical study, healthcare knowledge management, patient self-care, physician knowledge transfer.

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Authors: S. Al Dandachli, F. Perales, Y. Monerie, F. Jamin, M. S. El Youssoufi, C. Pelissou

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The goal of this research is to study the fracture process and mechanical behavior of concrete under I–II mixed-mode stress, which is essential for ensuring the safety of concrete structures. For this purpose, two-dimensional simulations of three-point bending tests under variable load and geometry on notched cement paste samples of composite samples (cement paste/siliceous aggregate) are modeled by employing Cohesive Zone Models (CZMs). As a result of experimental validation of these tests, the CZM model demonstrates its capacity to predict fracture propagation at the local scale.

Keywords: Concrete, cohesive zone model, microstructure, fracture, three-point flexural test bending.

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Authors: Muhammad Suryanegara, Dendi Wijayatullah, Dadang Gunawan

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We review a knowledge extractor model in constructing 3G Killer Applications. The success of 3G is essential for Government as it became part of Telecommunications National Strategy. The 3G wireless technologies may reach larger area and increase country-s ICT penetration. In order to understand future customers needs, the operators require proper information (knowledge) lying inside. Our work approached future customers as complex system where the complex knowledge may expose regular behavior. The hidden information from 3G future customers is revealed by using fractal-based questionnaires. Afterward, further statistical analysis is used to match the results with operator-s strategic plan. The developments of 3G applications also consider its saturation time and further improvement of the application.

Keywords: 3G Killer Applications, Knowledge, Telecommunications Strategy.

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Authors: Yan Li, Ronald Briggs

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Aerial and satellite images are information rich. They are also complex to analyze. For GIS systems, many features require fast and reliable extraction of roads and intersections. In this paper, we study efficient and reliable automatic extraction algorithms to address some difficult issues that are commonly seen in high resolution aerial and satellite images, nonetheless not well addressed in existing solutions, such as blurring, broken or missing road boundaries, lack of road profiles, heavy shadows, and interfering surrounding objects. The new scheme is based on a new method, namely reference circle, to properly identify the pixels that belong to the same road and use this information to recover the whole road network. This feature is invariable to the shape and direction of roads and tolerates heavy noise and disturbances. Road extraction based on reference circles is much more noise tolerant and flexible than the previous edge-detection based algorithms. The scheme is able to extract roads reliably from images with complex contents and heavy obstructions, such as the high resolution aerial/satellite images available from Google maps.

Keywords: Automatic road extraction, Image processing, Feature extraction, GIS update, Remote sensing, Geo-referencing

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Authors: B. Tomczyk, R. Mania

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Thin linear-elastic cylindrical circular shells having a micro-periodic structure along two directions tangent to the shell midsurface (biperiodic shells) are object of considerations. The aim of this paper is twofold. First, we formulate an averaged nonasymptotic model for the analysis of parametric vibrations or dynamical stability of periodic shells under consideration, which has constant coefficients and takes into account the effect of a cell size on the overall shell behavior (a length-scale effect). This model is derived employing the tolerance modeling procedure. Second we apply the obtained model to derivation of frequency equation being a starting point in the analysis of parametric vibrations. The effect of the microstructure length oh this frequency equation is discussed.

Keywords: Micro-periodic shells, mathematical modeling, length-scale effect, parametric vibrations

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Authors: C. Sinescu, M. Negrutiu, M. Romînu, C. Haiduc, E. Petrescu, M. Leretter, A.G. Podoleanu

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Optical Coherence Tomography (OCT) combined with the Confocal Microscopy, as a noninvasive method, permits the determinations of materials defects in the ceramic layers depth. For this study 256 anterior and posterior metal and integral ceramic fixed partial dentures were used, made with Empress (Ivoclar), Wollceram and CAD/CAM (Wieland) technology. For each investigate area 350 slices were obtain and a 3D reconstruction was perform from each stuck. The Optical Coherent Tomography, as a noninvasive method, can be used as a control technique in integral ceramic technology, before placing those fixed partial dentures in the oral cavity. The purpose of this study is to evaluate the capability of En face Optical Coherence Tomography (OCT) combined with a fluorescent method in detection and analysis of possible material defects in metalceramic and integral ceramic fixed partial dentures. As a conclusion, it is important to have a non invasive method to investigate fixed partial prostheses before their insertion in the oral cavity in order to satisfy the high stress requirements and the esthetic function.

Keywords: Ceramic Fixed Partial Dentures, Material Defects, En face Optical Coherence Tomography, Fluorescence.

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Authors: Gry M, Bergström J, Lengquist J, Lindberg J, Drobin K, Schwenk J, Nilsson P, Schuppe-Koistinen I.

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Sensitive and predictive DILI (Drug Induced Liver Injury) biomarkers are needed in drug R&D to improve early detection of hepatotoxicity. The discovery of DILI biomarkers that demonstrate the predictive power to identify individuals at risk to DILI would represent a major advance in the development of personalized healthcare approaches. In this healthy volunteer acetaminophen study (4g/day for 7 days, with 3 monitored nontreatment days before and 4 after), 450 serum samples from 32 subjects were analyzed using protein profiling by antibody suspension bead arrays. Multiparallel protein profiles were generated using a DILI target protein array with 300 antibodies, where the antibodies were selected based on previous literature findings of putative DILI biomarkers and a screening process using pre dose samples from the same cohort. Of the 32 subjects, 16 were found to develop an elevated ALT value (2Xbaseline, responders). Using the plasma profiling approach together with multivariate statistical analysis some novel findings linked to lipid metabolism were found and more important, endogenous protein profiles in baseline samples (prior to treatment) with predictive power for ALT elevations were identified.

Keywords: DILI, Plasma profiling, PLSDA, Randomforest.

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Authors: Chinwendu. B. Eleje, Udechukwu P. Egbuhuzor

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One of the difficulties encountered in solving nonlinear Boundary Value Problems (BVP) by many researchers is finding approximated solutions with minimum deviations from the exact solutions without so much rigor and complications. In this paper, we propose an approach to solve a two point BVP which involves a combination of Taylor series expansion method and Newton Raphson method. Furthermore, the fourth and sixth order approximated solutions are obtained and we compare their relative error and rate of convergence to the exact solution. Finally, some numerical simulations are presented to show the behavior of the solution and its derivatives.

Keywords: Newton Raphson method, non-linear boundary value problem, Taylor series approximation, Michaelis-Menten equation.

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Authors: J. Jezierski, K. Janerka

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The results of the two-phase gas-solid jet in pneumatic powder injection process analysis were presented in the paper. The researches were conducted on model set-up with high speed camera jet movement recording. Then the recorded material was analyzed to estimate main particles movement parameters. The values obtained from this direct measurement were compared to those calculated with the use of the well-known formulas for the two-phase flows (pneumatic conveying). Moreover, they were compared to experimental results previously achieved by authors. The analysis led to conclusions which to some extent changed the assumptions used even by authors, regarding the two-phase jet in pneumatic powder injection process. Additionally, the visual analysis of the recorded clips supplied data to make a more complete evaluation of the jet behavior in the lance outlet than before.

Keywords: injection lance, liquid metal, powder injection, slip velocity, two-phase jet

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Authors: Z. Zainuddin, N. Mahat, Y. Abu Hassan

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Since the presentation of the backpropagation algorithm, a vast variety of improvements of the technique for training a feed forward neural networks have been proposed. This article focuses on two classes of acceleration techniques, one is known as Local Adaptive Techniques that are based on weightspecific only, such as the temporal behavior of the partial derivative of the current weight. The other, known as Dynamic Adaptation Methods, which dynamically adapts the momentum factors, α, and learning rate, η, with respect to the iteration number or gradient. Some of most popular learning algorithms are described. These techniques have been implemented and tested on several problems and measured in terms of gradient and error function evaluation, and percentage of success. Numerical evidence shows that these techniques improve the convergence of the Backpropagation algorithm.

Keywords: Backpropagation, Dynamic Adaptation Methods, Local Adaptive Techniques, Neural networks.

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Authors: A. M. Tahsini

Abstract:

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

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

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Authors: Anastasia Katsamaki, Nikolaos Bilalis, Vassilis Dedoussis

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This work proposes a set of actions to assist redesign procedure in existing products of Electric and Electronic Equipment (EEE). The aim is to improve their environmental behavior after their withdrawal in the End-of-Life (EOL) phase. In the beginning data collection takes place. Then follows selection and implementation of the optimal EOL Treatment Strategy (EOL_TS) and its results- evaluation concerning the environment. In parallel, product design characteristics that can be altered are selected based on their significance for the environment in the EOL stage. All results from the previous stages are combined and possible redesign actions are formulated for further examination and afterwards configuration in the design stage. The applied method to perform these tasks is Lean Thinking (LT). At the end, results concerning the application of the proposed method on a distribution transformer are presented.

Keywords: End-of-life treatment, Lean thinking, WEEE

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Authors: U. Idachaba, F. Z. Wang, A. Qi, N. Helian

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Artificial Bee Colony (ABC) algorithm is a relatively new swarm intelligence technique for clustering. It produces higher quality clusters compared to other population-based algorithms but with poor energy efficiency, cluster quality consistency and typically slower in convergence speed. Inspired by energy saving foraging behavior of natural honey bees this paper presents a Quality and Quantity Aware Artificial Bee Colony (Q2ABC) algorithm to improve quality of cluster identification, energy efficiency and convergence speed of the original ABC. To evaluate the performance of Q2ABC algorithm, experiments were conducted on a suite of ten benchmark UCI datasets. The results demonstrate Q2ABC outperformed ABC and K-means algorithm in the quality of clusters delivered.

Keywords: Artificial bee colony algorithm, clustering.

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Authors: Maia Seturi, Tamari Todua

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Economic growth is seen as the increase in the production capacity of a country. It enables a country to produce more and more material wealth and social benefits. Today, the success of any product on the market is closely related to the issue of branding. The brand is a source of information for a user/consumer, which helps to simplify the choice of goods and reduce consumer risk. The paper studies the role of branding in order to promote Georgian tea brands. The main focus of the research is directed to consumer attitudes regarding Georgian tea brands. The methodology of the paper is based on marketing research. The findings study revealed that the majority of consumers prefer foreign tea brands. The final part of the article presents the main recommendations.

Keywords: Marketing research, customer behavior, brand, successful brand.

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Authors: S. Sowmyayani, P. Arockia Jansi Rani

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This paper integrates Octagon and Square Search pattern (OCTSS) motion estimation algorithm into H.264/AVC (Advanced Video Coding) video codec in Adaptive Group of Pictures (AGOP) mode. AGOP structure is computed based on scene change in the video sequence. Octagon and square search pattern block-based motion estimation method is implemented in inter-prediction process of H.264/AVC. Both these methods reduce bit rate and computational complexity while maintaining the quality of the video sequence respectively. Experiments are conducted for different types of video sequence. The results substantially proved that the bit rate, computation time and PSNR gain achieved by the proposed method is better than the existing H.264/AVC with fixed GOP and AGOP. With a marginal gain in quality of 0.28dB and average gain in bitrate of 132.87kbps, the proposed method reduces the average computation time by 27.31 minutes when compared to the existing state-of-art H.264/AVC video codec.

Keywords: Block Distortion Measure, Block Matching Algorithms, H.264/AVC, Motion estimation, Search patterns, Shot cut detection.

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Authors: Mehran Pourgholi , Amin Lotfi Eghlim

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These Nowadays the explosion of bombs or explosive materials such as gas and oil near or inside the buildings cause some losses in installations and building components. This has made the engineers to make the buildings and their components resistance against the effects of explosion. These activities lead to provide regulations and different methods. The above regulations are mostly focused on the explosion effects resulting from the vehicles around the buildings. Therefore, the explosion resulting from the vehicles outside the buildings will be studied in this research. In the present study, the main goals are to investigate the explosion load effects on the structures located on the piles with the specific quantity of plasticity and observing the permissible response of these structures. The concentrated mass system and the spring with two degree of freedom will be used to study the structural system.

Keywords: Concrete-Framework Building, Explosion Load, piles.

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Authors: Z. Qi, T. J. Moir

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A combined three-microphone voice activity detector (VAD) and noise-canceling system is studied to enhance speech recognition in an automobile environment. A previous experiment clearly shows the ability of the composite system to cancel a single noise source outside of a defined zone. This paper investigates the performance of the composite system when there are frequently moving noise sources (noise sources are coming from different locations but are not always presented at the same time) e.g. there is other passenger speech or speech from a radio when a desired speech is presented. To work in a frequently moving noise sources environment, whilst a three-microphone voice activity detector (VAD) detects voice from a “VAD valid zone", the 3-microphone noise canceller uses a “noise canceller valid zone" defined in freespace around the users head. Therefore, a desired voice should be in the intersection of the noise canceller valid zone and VAD valid zone. Thus all noise is suppressed outside this intersection of area. Experiments are shown for a real environment e.g. all results were recorded in a car by omni-directional electret condenser microphones.

Keywords: Signal processing, voice activity detection, noise canceller, microphone array beam forming.

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Authors: Zahra Hatami, Hesham Ali, David Volkman

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Selecting a portfolio for investing is a crucial decision for individuals and legal entities. In the last two decades, with economic globalization, a stream of financial innovations has rushed to the aid of financial institutions. The importance of selecting stocks for the portfolio is always a challenging task for investors. This study aims to create a financial network to identify optimal portfolios using network centralities metrics. This research presents a community detection technique of superior stocks that can be described as an optimal stock portfolio to be used by investors. By using the advantages of a network and its property in extracted communities, a group of stocks was selected for each of the various time periods. The performance of the optimal portfolios was compared to the famous index. Their Sharpe ratio was calculated in a timely manner to evaluate their profit for making decisions. The analysis shows that the selected potential portfolio from stocks with low centrality measurement can outperform the market; however, they have a lower Sharpe ratio than stocks with high centrality scores. In other words, stocks with low centralities could outperform the S&P500 yet have a lower Sharpe ratio than high central stocks.

Keywords: Portfolio management performance, network analysis, centrality measurements, Sharpe ratio.

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Authors: Hamed Bagheri, Seyd Javid Shariati

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The effects of type and amount of solvent on lubricant which is used in disposable medical devices are investigated in this article. Two kinds of common solvent, n-Hexane and n-Heptane, are used. The mechanical behavior of syringe has shown that n-Heptane has better mixing ratio and also more effective spray process in the barrel of syringe than n-Hexane because of similar solubility parameter to silicon oil. The results revealed that movement of plunger in the barrel increases when pure silicone is used because non-uniform film is created on the surface of barrel, and also, it seems that the form of silicon is converted from oil to gel due to sterilization process. The results showed that the convenient mixing ratio of solvent/lubricant oil is 80/20.

Keywords: Disposable medical devices, lubricant oil, solvent effect, solubility parameter.

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Authors: A. Hossain, M. A. Gafur, F. Gulshan, A. S. W. Kurny

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Al-Si-Mg-Ni(-Cu) alloys are widely used in the automotive industry. They have the advantage of low weight associated with low coefficient of thermal expansion and excellent mechanical properties – mainly at high temperatures. The corrosion resistance of these alloys in coastal area, particularly sea water, however is not yet known. In this investigation, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization have been used to evaluate the corrosion resistance of Al-6Si-0.5Mg-2Ni (-2Cu) alloys in simulated sea water environments. The potentiodynamic polarization curves reveal that 2 wt% Cu content alloy (Alloy-2) is more prone to corrosion than the Cu free alloy (Alloy-1). But the EIS test results showed that corrosion resistance or charge transfer resistance (Rct) increases with the addition of Cu. Due to addition of Cu and thermal treatment, the magnitude of open circuit potential (OCP), corrosion potential (Ecorr) and pitting corrosion potential (Epit) of Al-6Si-0.5Mg-2Ni alloy in NaCl solution were shifted to the more noble direction.

Keywords: Al-Si alloy, potentiodynamic polarization, EIS, SEM.

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Authors: Chun-Ta Chen, Te-Tan Liao, Hoang-Vuong Pham

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In this paper motion analysis on a winding stair-climbing is investigated using our proposed rotational arm type of robotic wheelchair. For now, the robotic wheelchair is operated in an open mode to climb winding stairs by a dynamic turning, therefore, the dynamics model is required to ensure a passenger-s safety. Equations of motion based on the skid-steering analysis are developed for the trajectory planning and motion analysis on climbing winding stairs. Since the robotic wheelchair must climb a winding staircase stably, the winding trajectory becomes a constraint equation to be followed, and the Baumgarte-s method is used to solve for the constrained dynamics equations. Experimental results validate the behavior of the prototype as it climbs a winding stair.

Keywords: Climb, robotic wheelchair, skid-steering, windingstair .

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Authors: Siriporn Poolsuwan

Abstract:

This research aims to explore the information needs, information usages, and problems of information usage of the older people club’s members in Dusit district, Bangkok. There are 12 clubs and 746 club’s members in this district. The research results use for older person service in this district. Data is gathered from 252 club’s members by using questionnaires. The quantitative approach uses in research by percentage, means and standard deviation. The results are as follows (1) The older people need Information for entertainment, occupation and academic in the field of short story, computer work, and religion and morality. (2) The participants use Information from various sources. (3) The Problem of information usage is their language skills because of the older people’s literacy problem.

Keywords: Information Behavior, Older Person, Information Seeking.

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Authors: María I. Jiménez, Alberto Izquierdo, Juan J. Villacorta, Lara del Val, Mariano Raboso

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There are very complex communication systems, as the multifunction radar, MFAR (Multi-Function Array Radar), where functions are integrated all together, and simultaneously are performed the classic functions of tracking and surveillance, as all the functions related to the communication, countermeasures, and calibration. All these functions are divided into the tasks to execute. The task scheduler is a key element of the radar, since it does the planning and distribution of energy and time resources to be shared and used by all tasks. This paper presents schedulers based on the use of multiple queue. Several schedulers have been designed and studied, and it has been made a comparative analysis of different performed schedulers. The tests and experiments have been done by means of system software simulation. Finally a suitable set of radar characteristics has been selected to evaluate the behavior of the task scheduler working.

Keywords: Queue Theory, Radar, Scheduler, Task.

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Authors: Arash Karimipour, M. Afrand, M. M. Bazofti

Abstract:

The periodic mixed convection of a water-copper nanofluid inside a rectangular cavity with aspect ratio of 3 is investigated numerically. The temperature of the bottom wall of the cavity is assumed greater than the temperature of the top lid which oscillates horizontally with the velocity defined as u = u0 sin (ω t). The effects of Richardson number, Ri, and volume fraction of nanoparticles on the flow and thermal behavior of the nanofluid are investigated. Velocity and temperature profiles, streamlines and isotherms are presented. It is observed that when Ri < 1, heat transfer rate is much greater than when Ri > 1. The higher value of Ri corresponds to a lower value of the amplitude of the oscillation of Num in the steady periodic state. Moreover, increasing the volume fraction of the nanoparticles increases the heat transfer rate.

Keywords: Nanofluid, Top lid oscillation, Mixed convection, Volume fraction

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Authors: Deniz T. Sodiri, Venkat V S S Sastry

Abstract:

The paper presents an on-line recognition machine (RM) for continuous/isolated, dynamic and static gestures that arise in Flight Deck Officer (FDO) training. RM is based on generic pattern recognition framework. Gestures are represented as templates using summary statistics. The proposed recognition algorithm exploits temporal and spatial characteristics of gestures via dynamic programming and Markovian process. The algorithm predicts corresponding index of incremental input data in the templates in an on-line mode. Accumulated consistency in the sequence of prediction provides a similarity measurement (Score) between input data and the templates. The algorithm provides an intuitive mechanism for automatic detection of start/end frames of continuous gestures. In the present paper, we consider isolated gestures. The performance of RM is evaluated using four datasets - artificial (W TTest), hand motion (Yang) and FDO (tracker, vision-based ). RM achieves comparable results which are in agreement with other on-line and off-line algorithms such as hidden Markov model (HMM) and dynamic time warping (DTW). The proposed algorithm has the additional advantage of providing timely feedback for training purposes.

Keywords: On-line Recognition Algorithm, IsolatedDynamic/Static Gesture Recognition, On-line Markovian/DynamicProgramming, Training in Virtual Environments.

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Authors: Hong Dongchen, Chen Qiuxiao, Wu Shuang

Abstract:

Systematic Science reveals the complex nonlinear mechanisms of behavior in urban system. However, when confronted with such system, most city planners in China are still utilizing simple linear thinking to learn and understand this open complex giant system. In this paper, the hypercycle theory was introduced, which is one of the basis theories of systematic science. Based on the analysis of the reasons for the failure of current urban planning in China, and in consideration of the nonlinear characteristics of the urban system as well, optimization ideas for urban planning formulation were presented such as the shift from blueprint planning to progressive planning and from the rigid urban planning management control to its dynamically monitor and in time feedback.

Keywords: Systematic science, hypercycle theory, urban planning.

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Authors: Javier Barbaran, Manuel Dıaz, Inaki Esteve, Bartolome Rubio

Abstract:

Wireless Sensor Networks (WSNs) have attracted the attention of many researchers. This has resulted in their rapid integration in very different areas such as precision agriculture,environmental monitoring, object and event detection and military surveillance. Due to the current WSN characteristics this technology is specifically useful in industrial areas where security, reliability and autonomy are basic, such as nuclear power plants, chemical plants, and others. In this paper we present a system based on WSNs to monitor environmental conditions around and inside a nuclear power plant, specifically, radiation levels. Sensor nodes, equipped with radiation sensors, are deployed in fixed positions throughout the plant. In addition, plant staff are also equipped with mobile devices with higher capabilities than sensors such as for example PDAs able to monitor radiation levels and other conditions around them. The system enables communication between PDAs, which form a Mobile Ad-hoc Wireless Network (MANET), and allows workers to monitor remote conditions in the plant. It is particularly useful during stoppage periods for inspection or in the event of an accident to prevent risk situations.

Keywords: MANETs, Mobile computing, Radiation monitoring, Wireless Sensor Networks.

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Authors: Irene Luque Ruiz, Manuel Urbano Cuadrado, Miguel Ángel Gómez-Nieto

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New graph similarity methods have been proposed in this work with the aim to refining the chemical information extracted from molecules matching. For this purpose, data fusion of the isomorphic and nonisomorphic subgraphs into a new similarity measure, the Approximate Similarity, was carried out by several approaches. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting several pharmacological parameters: binding of steroids to the globulin-corticosteroid receptor, the activity of benzodiazepine receptor compounds, and the blood brain barrier permeability. Acceptable results were obtained for the models presented here.

Keywords: Graph similarity, Nonisomorphic dissimilarity, Approximate similarity, Drug activity prediction.

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