Search results for: Moving surfaces

Authors: Kiwon Rhee, Kyung-Jin You, Hyun-Chool Shin

Abstract:

This paper proposes a method of remotely controlling robots with arm gestures using surface electromyography (EMG) and accelerometer sensors attached to the operator’s wrists. The EMG and accelerometer sensors receive signals from the arm gestures of the operator and infer the corresponding movements to execute the command to control the robot. The movements of the robot include moving forward and backward and turning left and right. The accuracy is over 99% and movements can be controlled in real time.

Keywords: EMG, accelerometer, K-nn, entropy.

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Authors: Normi Abdul Hadi, Arsmah Ibrahim, Fatimah Yahya, Jamaludin Md. Ali

Abstract:

Beta-spline is built on G2 continuity which guarantees smoothness of generated curves and surfaces using it. This curve is preferred to be used in object design rather than reconstruction. This study however, employs the Beta-spline in reconstructing a 3- dimensional G2 image of the Stanford Rabbit. The original data consists of multi-slice binary images of the rabbit. The result is then compared with related works using other techniques.

Keywords: Beta-spline, multi-slice image, rectangular surface, 3D reconstruction

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Authors: Victor Maldonado

Abstract:

Recent concerns of the growing impact of aviation on climate change has prompted the emergence of a field referred to as Sustainable or “Green” Aviation dedicated to mitigating the harmful impact of aviation related CO2 emissions and noise pollution on the environment. In the current paper, a unique “green” business jet aircraft called the TransAtlantic was designed (using analytical formulation common in conceptual design) in order to show the feasibility for transatlantic passenger air travel with an aircraft weighing less than 10,000 pounds takeoff weight. Such an advance in fuel efficiency will require development and integration of advanced and emerging aerospace technologies. The TransAtlantic design is intended to serve as a research platform for the development of technologies such as active flow control. Recent advances in the field of active flow control and how this technology can be integrated on a sub-scale flight demonstrator are discussed in this paper. Flow control is a technique to modify the behavior of coherent structures in wall-bounded flows (over aerodynamic surfaces such as wings and turbine nozzles) resulting in improved aerodynamic cruise and flight control efficiency. One of the key challenges to application in manned aircraft is development of a robust high-momentum actuator that can penetrate the boundary layer flowing over aerodynamic surfaces. These deficiencies may be overcome in the current development and testing of a novel electromagnetic synthetic jet actuator which replaces piezoelectric materials as the driving diaphragm. One of the overarching goals of the TranAtlantic research platform include fostering national and international collaboration to demonstrate (in numerical and experimental models) reduced CO2/ noise pollution via development and integration of technologies and methodologies in design optimization, fluid dynamics, structures/ composites, propulsion, and controls.

Keywords: Aircraft Design, Sustainable “Green” Aviation, Active Flow Control, Aerodynamics.

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Authors: Chien-Chun Hung, Yao-Jen Teng, Yung-Sheng Tien, Yu-Tsung Tsai

Abstract:

Microstrip antennas are conformable to planar and nonplanar surfaces, simple and inexpensive to fabricate using modern printed-circuit technology. Circular polarization of low-profile microstrip patch with high bandwidth is achieved in this research through the use of a three-cross-arms branch-line coupler with sequential rotated arrays, another low-profile antenna of hollow cylinder is also proposed and the function of reconnaissance with microstrip antenna on Mini UAV (unmanned aerial vehicle) are evaluated in practical flight test.

Keywords: low-profile antenna, Mini UAV, reconnaissance

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Authors: Masahiro Ohmura, Koh Kakusho, Takeshi Okadome

Abstract:

This paper presents a regression model with autocorrelated errors in which the inputs are social moods obtained by analyzing the adjectives in Twitter posts using a document topic model, where document topics are extracted using LDA. The regression model predicts Dow Jones Industrial Average (DJIA) more precisely than autoregressive moving-average models.

Keywords: Regression model, social mood, stock market prediction, Twitter.

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Authors: M.A. Hosseini, P. Ebrahimi Naghani

Abstract:

In this research work, a novel parallel manipulator with high positioning and orienting rate is introduced. This mechanism has two rotational and one translational degree of freedom. Kinematics and Jacobian analysis are investigated. Moreover, workspace analysis and optimization has been performed by using genetic algorithm toolbox in Matlab software. Because of decreasing moving elements, it is expected much more better dynamic performance with respect to other counterpart mechanisms with the same degrees of freedom. In addition, using couple of cylindrical and revolute joints increased mechanism ability to have more extended workspace.

Keywords: Kinematics, Workspace, 3-CRS/PU, Parallel robot

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Authors: Pavana Manvikar, G K Purohit

Abstract:

The functional performance of machined components, often, depends on surface topography, hardness, nature of stress and strain induced on the surface, etc. Invariably, surfaces of metallic components obtained by turning, milling, etc., consist of irregularities such as machining marks are responsible for the above. Surface finishing/coating processes used to produce improved surface quality/textures are classified as chip-removal and chip-less processes. Burnishing is chip-less cold working process carried out to improve surface finish, hardness and resistance to fatigue and corrosion; not obtainable by other surface coating and surface treatment processes. It is a very simple, but effective method which improves surface characteristics and is reported to introduce compressive stresses.

Of late, considerable attention is paid to post-machining, finishing operations, such as burnishing. During burnishing the micro-irregularities start to deform plastically, initially the crests are gradually flattened and zones of reduced deformation are formed. When all the crests are deformed, the valleys between the micro-irregularities start moving in the direction of the newly formed surface. The grain structure is then condensed, producing a smoother and harder surface with superior load-carrying and wear-resistant capabilities.

Burnishing can be performed on a lathe with a highly polished ball or roller type tool which is traversed under force over a rotating/stationary work piece. Often, several passes are used to obtain the work piece surface with the desired finish and hardness.

This paper presents the findings of an experimental investigation on the effect of ball burnishing parameters such as, burnishing speed, feed, force and number of passes; on surface roughness (Ra) and micro-hardness (Hv) of a 60/40 copper/zinc alloy, using a 2-level fractional factorial design of experiments (DoE). Mathematical models were developed to predict surface roughness and hardness generated by burnishing in terms of the above process parameters. A ball-type tool, designed and constructed from a high chrome steel material (HR_C=63 and Ra=0.012 µm), was used for burnishing of fine-turned cylindrical bars (0.68-0.78µm and 145Hv). They are given by,

 

Ra= 0.305-0.005X₁ - 0.0175X₂ + 0.0525X₄ + 0.0125X₁X₄ -0.02X₂X₄ - 0.0375X₃X₄

 

Hv=160.625 -2.37 5X₁ + 5.125X₂ + 1.875X₃ + 4.375X₄ - 1.625X₁X₄ + 4.375X₂X₄ - 2.375X₃X₄

 

High surface microhardness (175H_V) was obtained at 400rpm, 2passes, 0.05mm/rev and 15kgf., and high surface finish (0.20µm) was achieved at 30kgf, 0.1mm/rev, 112rpm and single pass. In other words, surface finish improved by 350% and microhardness improved by 21% compared to as machined conditions.

Keywords: Ball burnishing, surface roughness, micro-hardness.

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Authors: Sanda Win, Tin Shein, Khin Maung Latt

Abstract:

This document describes an electronic speed control designed to drive two DC motors from a 6 V battery pack to be controlled by a commercial universal infrared remote control hand set. Conceived for a tank-like vehicle, one motor drives the left side wheels or tracks and the other motor drives the right side. As it is shown here, there is a left-right steering input and a forward– backward throttles input, like would be used on a model car. It is designed using a microcontroller PIC16F873A.

Keywords: Assembly Language, Direction Control, SpeedControl, PIC 16F 873A

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Authors: Swapnoneel Roy, Ashok Kumar Thakur, Minhazur Rahman

Abstract:

The Block Sorting problem is to sort a given permutation moving blocks. A block is defined as a substring of the given permutation, which is also a substring of the identity permutation. Block Sorting has been proved to be NP-Hard. Until now two different 2-Approximation algorithms have been presented for block sorting. These are the best known algorithms for Block Sorting till date. In this work we present a different characterization of Block Sorting in terms of a transposition cycle graph. Then we suggest a heuristic, which we show to exhibit a 2-approximation performance guarantee for most permutations.

Keywords: Block Sorting, Optical Character Recognition, Genome Rearrangements, Sorting Primitives, ApproximationAlgorithms

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Authors: Ajay V. Kolhe, R. E. Shelke, S. S. Khandare

Abstract:

Various biomass based resources, which can be used as an extender, or a complete substitute of diesel fuel may have very significant role in the development of agriculture, industrial and transport sectors in the energy crisis. Use of Karanja oil methyl ester biodiesel in a CI DI engine was found highly compatible with engine performance along with lower exhaust emission as compared to diesel fuel but with slightly higher NOx emission and low wear characteristics. The combustion related properties of vegetable oils are somewhat similar to diesel oil. Neat vegetable oils or their blends with diesel, however, pose various long-term problems in compression ignition engines. These undesirable features of vegetable oils are because of their inherent properties like high viscosity, low volatility, and polyunsaturated character. Pongamia methyl ester (PME) was prepared by transesterification process using methanol for long term engine operations. The physical and combustion-related properties of the fuels thus developed were found to be closer to that of the diesel. A neat biodiesel (PME) was selected as a fuel for the tribological study of biofuels. Two similar new engines were completely disassembled and subjected to dimensioning of various vital moving parts and then subjected to long-term endurance tests on neat biodiesel and diesel respectively. After completion of the test, both the engines were again disassembled for physical inspection and wear measurement of various vital parts. The lubricating oil samples drawn from both engines were subjected to atomic absorption spectroscopy (AAS) for measurement of various wear metal traces present. The additional lubricating property of biodiesel fuel due to higher viscosity as compared to diesel fuel resulted in lower wear of moving parts and thus improved the engine durability with a bio-diesel fuel. Results reported from AAS tests confirmed substantially lower wear and thus improved life for biodiesel operated engines.

Keywords: Transesterification, PME, wear of engine parts, Metal traces and AAS.

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Authors: P. Novosad, L. Osuska, M. Tazky, T. Tazky

Abstract:

Current trends in the building industry are oriented towards the reduction of maintenance costs and the ecological benefits of buildings or building materials. Surface treatment of building materials with photocatalytic active titanium dioxide added into concrete can offer a good solution in this context. Architectural concrete has one disadvantage – dust and fouling keep settling on its surface, diminishing its aesthetic value and increasing maintenance e costs. Concrete surface – silicate material with open porosity – fulfils the conditions of effective photocatalysis, in particular, the self-cleaning properties of surfaces. This modern material is advantageous in particular for direct finishing and architectural concrete applications. If photoactive titanium dioxide is part of the top layers of road concrete on busy roads and the facades of the buildings surrounding these roads, exhaust fumes can be degraded with the aid of sunshine; hence, environmental load will decrease. It is clear that options for removing pollutants like nitrogen oxides (NOx) must be found. Not only do these gases present a health risk, they also cause the degradation of the surfaces of concrete structures. The photocatalytic properties of titanium dioxide can in the long term contribute to the enhanced appearance of surface layers and eliminate harmful pollutants dispersed in the air, and facilitate the conversion of pollutants into less toxic forms (e.g., NOx to HNO₃). This paper describes verification of the photocatalytic properties of titanium dioxide and presents the results of mechanical and physical tests on samples of architectural lightweight self-compacting concretes (LWSCC). The very essence of the use of LWSCC is their rheological ability to seep into otherwise extremely hard accessible or inaccessible construction areas, or sections thereof where concrete compacting will be a problem, or where vibration is completely excluded. They are also able to create a solid monolithic element with a large variety of shapes; the concrete will at the same meet the requirements of both chemical aggression and the influences of the surrounding environment. Due to their viscosity, LWSCCs are able to imprint the formwork elements into their structure and thus create high quality lightweight architectural concretes.

Keywords: Photocatalytic concretes, titanium dioxide, architectural concretes, LWSCC.

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Authors: Kar Foo Chong, Andreas Lee Astuti, Pradeep K. Gopalakrishnan, T. Hui Teo

Abstract:

This paper describes design of a digital feedback loop for a low switching frequency dc-dc switching converters. Low switching frequencies were selected in this design. A look up table for the digital PID (proportional integrator differentiator) compensator was implemented using Altera Stratix II with built-in ADC (analog-to-digital converter) to achieve this hardware realization. Design guidelines are given for the PID compensator, high frequency DPWM (digital pulse width modulator) and moving average filter.

Keywords: dc-dc converter, FPGA, PID, power management, .

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Authors: Aso Rahimzadegan, Seyyed Poorya Hosseini, Kamran Qaderi

Abstract:

In this paper, we have proposed two novel plasmonic demultiplexing structures based on metal-insulator-metal surfaces which, beside their compact size, have a very good transmission spectrum. The impact of the key internal parameters on the transmission spectrum is numerically analyzed by using the twodimensional (2D) finite difference time domain (FDTD) method. The proposed structures could be used to develop ultra-compact photonic wavelength demultiplexing devices for large-scale photonic integration.

Keywords: Photonic integrated devices, Plasmonics, Metalinsulator- metal (MIM) waveguide, Demultiplexers.

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Authors: Zheng-Kuohai, Yang-Shengsheng, Li-Zhonghua, Zhao-Lin

Abstract:

Materials used on exterior spacecraft surfaces are subjected to many environmental threats which can cause degradation, atomic oxygen is one of the most threats. We prepared organic silicon atomic-oxygen-protection film using method of polymerization. This paper presented the effects on the film structure and its durability of the preparation processing, and analyzed the polymerization theory, the film structure and composition of the film. At last, we tested the film in our ground based atomic oxygen simulator, and indicated that the film worked well.

Keywords: Atomic oxygen, siloxane, protection, plasma, polymerization.

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Authors: Soon-Hyun Park, Takami Matsuo

Abstract:

This paper presents an adaptive differentiator of sequential data based on the adaptive control theory. The algorithm is applied to detect moving objects by estimating a temporal gradient of sequential data at a specified pixel. We adopt two nonlinear intensity functions to reduce the influence of noises. The derivatives of the nonlinear intensity functions are estimated by an adaptive observer with σ-modification update law.

Keywords: Adaptive estimation, parameter adjustmentlaw, motion detection, temporal gradient, differential filter.

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Authors: Gökçen A. Çiftçioğlu, M. A. Neşet Kadırgan, Figen Kadırgan

Abstract:

Solar energy, since it is available every day, is seen as one of the most valuable renewable energy resources. Thus, the energy of sun should be efficiently used in various applications. The most known applications that use solar energy are heating water and spaces. High efficiency solar collectors need appropriate selective surfaces to absorb the heat. Selective surfaces (Selektif-Sera) used in this study are applied to flat collectors, which are produced by a roll to roll cost effective coating of nano nickel layers, developed in Selektif Teknoloji Co. Inc. Efficiency of flat collectors using Selektif-Sera absorbers are calculated in collaboration with Institute for Solar Technik Rapperswil, Switzerland. The main cause of high energy consumption in industry is mostly caused from low temperature level processes. There is considerable effort in research to minimize the energy use by renewable energy sources such as solar energy. A feasibility study will be presented to obtain the potential of solar thermal energy utilization in the textile industry using these solar collectors. For the feasibility calculations presented in this study, textile dyeing and finishing factory located at Kahramanmaras is selected since the geographic location was an important factor. Kahramanmaras is located in the south east part of Turkey thus has a great potential to have solar illumination much longer. It was observed that, the collector area is limited by the available area in the factory, thus a hybrid heating generating system (lignite/solar thermal) was preferred in the calculations of this study to be more realistic. During the feasibility work, the calculations took into account the preheating process, where well waters heated from 15 °C to 30-40 °C by using the hot waters in heat exchangers. Then the preheated water was heated again by high efficiency solar collectors. Economic comparison between the lignite use and solar thermal collector use was provided to determine the optimal system that can be used efficiently. The optimum design of solar thermal systems was studied depending on the optimum collector area. It was found that the solar thermal system is more economic and efficient than the merely lignite use. Return on investment time is calculated as 5.15 years.

Keywords: Solar energy, heating, solar heating.

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Authors: M.A. Kamely, M.Y. Noordin

Abstract:

A judicious choice of insert material, tool geometry and cutting conditions can make hard turning produce better surfaces than grinding. In the present study, an attempt has been made to investigate the effect of cutting tool materials on cutting forces (feed force, thrust force and cutting force) in finish hard turning of AISI D2 cold work tool steel. In conclusion of the results obtained with a constant depth of cut and feed rate, it is important to note that cutting force is directly affected by cutting tool material.

Keywords: hard turning, cutting force, cutting tool materials, mixed ceramic, cbn

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Authors: Jae-Young Choi, Sung-Gaun Kim

Abstract:

This paper suggests a fast and stable Target Tracking system in collaborative control of UAV and UGV. Wi-Fi communication range is limited in collaborative control of UAV and UGV. Thus, to secure a stable communications, UAV and UGV have to be kept within a certain distance from each other. But existing method which uses UAV Vertical Camera to follow the motion of UGV is likely to lose a target with a sudden movement change. Eventually, UGV has disadvantages that it could only move at a low speed and not make any sudden change of direction in order to keep track of the target. Therefore, we suggest utilizing AR Drone UAV front camera to track fast-moving and Omnidirectional Mecanum Wheel UGV.

Keywords: Collaborative control, UAV, UGV, Target Tracking.

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Authors: Dhiflaoui Hafedh, Khlifi Kaouthar, Ben Cheikh Larbi Ahmed

Abstract:

These Monolayer and multilayer coatings of CrN and AlCrN deposited on 100Cr6 (AISI 52100) substrate by PVD magnetron sputtering system. The microstructures of the coatings were characterized using atomic force microscopy (AFM). The AFM analysis revealed the presence of domes and craters that are uniformly distributed over all surfaces of the various layers. Nanoindentation measurement of CrN coating showed maximum hardness (H) and modulus (E) of 14 GPa and 190 GPa, respectively. The measured H and E values of AlCrN coatings were found to be 30 GPa and 382 GPa, respectively. The improved hardness in both the coatings was attributed mainly to a reduction in crystallite size and decrease in surface roughness. The incorporation of Al into the CrN coatings has improved both hardness and Young’s modulus.

Keywords: CrN/AlCrN, coatings, hardness, nano-indentation.

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Authors: M.E.khosroshahi , M.S.Nourbakhsh

Abstract:

Wet chemistry methods are used to prepare the SiO2/Au nanoshells. The purpose of this research was to synthesize gold coated SiO2 nanoshells for biomedical applications. Tunable nanoshells were prepared by using different colloidal concentrations. The nanoshells are characterized by FTIR, XRD, UV-Vis spectroscopy and atomic force microscopy (AFM). The FTIR results confirmed the functionalization of the surfaces of silica nanoparticles with NH2 terminal groups. A tunable absorption was observed between 470-600 nm with a maximum range of 530-560 nm. Based on the XRD results three main peaks of Au (111), (200) and (220) were identified. Also AFM results showed that the silica core diameter was about 100 nm and the thickness of gold shell about 10 nm.

Keywords: Gold nanoshells, Synthesis, UV-vis spectroscopy, XRD, AFM

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Authors: Usman Ali Khan, Bismah Tariq, Khalida Raza, Saima Malik, Aoun Muhammad

Abstract:

This research paper is based upon the simulation of gradient of mathematical functions and scalar fields using MATLAB. Scalar fields, their gradient, contours and mesh/surfaces are simulated using different related MATLAB tools and commands for convenient presentation and understanding. Different mathematical functions and scalar fields are examined here by taking their gradient, visualizing results in 3D with different color shadings and using other necessary relevant commands. In this way the outputs of required functions help us to analyze and understand in a better way as compared to just theoretical study of gradient.

Keywords: MATLAB, Gradient, Contour, Scalar Field, Mesh

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Authors: Hongyan Dai

Abstract:

This work presents a matched field processing (MFP) algorithm based on Dopplerlet transform for estimating the motion parameters of a sound source moving along a straight line and with a constant speed by using a piecewise strategy, which can significantly reduce the computational burden. Monte Carlo simulation results and an experimental result are presented to verify the effectiveness of the algorithm advocated.

Keywords: matched field processing; Dopplerlet transform; motion parameter estimation; piecewise strategy

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Authors: Pang-Chieh Wang, Ting-Wei Hou, Jung-Hsuan Wu, Bo-Chiuan Chen

Abstract:

In this paper we discuss on the security module for the car appliances to prevent stealing and illegal use on other cars. We proposed an open structure including authentication and encryption by embed a security module in each to protect car appliances. Illegal moving and use a car appliance with the security module without permission will lead the appliance to useless. This paper also presents the component identification and deal with relevant procedures. It is at low cost to recover from destroys by the burglar. Expect this paper to offer the new business opportunity to the automotive and technology industry.

Keywords: Automotive, component identification, electronic immobilizer, key management.

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Authors: Mohammad Mohammad

Abstract:

With the exponential progress of technological development comes a strong sense that events are moving too quickly for our schools and that teachers may be losing control of them in the process. This paper examines the impact of e-learning and e-teaching in universities, from both the student and teacher perspective. In particular, it is shown that e-teachers should focus not only on the technical capacities and functions of IT materials and activities, but must attempt to more fully understand how their e-learners perceive the learning environment. From the e-learner perspective, this paper indicates that simply having IT tools available does not automatically translate into all students becoming effective learners. More evidence-based evaluative research is needed to allow e-learning and e-teaching to reach full potential.

Keywords: e-learning, e-teaching, distance learning, education

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Authors: Mahmoud Beshr, Ivan Andonovic, Moustafa H. Aly

Abstract:

Visible Light Communication (VLC) offers advantages of low energy consumption, licence free and RF interference free operation. One application area for VLC is in the provision of health centred services circumventing issues of interference with any biomedical device within the environment. VLC performamce is affected by natural light restricting systems avilability and relibility. The paper presents an analysis of the performance of VLC systems under different meteorological conditions. The evaluation considered the impact of natural light as a function of different reflection surfaces in different room sizes.

Keywords: Visible light communication, impulse reponse , performance analysis , natural light.

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Authors: S. Swapna Kumar

Abstract:

A Vehicular Ad-Hoc Network (VANET) is a mobile Ad-Hoc Network that provides connectivity moving device to fixed equipments. Such type of device is equipped with vehicle provides safety for the passengers. In the recent research areas of traffic management there observed the wide scope of design of new methodology of extension of wireless sensor networks and ad-hoc network principal for development of VANET technology. This paper provides the wide research view of the VANET and MANET concept for the researchers to contribute the better optimization technique for the development of effective and fast atomization technique for the large size of data exchange in this complex networks.

Keywords: Ad-Hoc, MANET, Sensors, Security, VANET

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Authors: Ye Wang, Ickjai Lee

Abstract:

Due to the widespread of mobile sensing, there is a strong need to handle trails of moving objects, and trajectories. This paper proposes three visual analytics approaches for higher order information of trajectory datasets based on the higher order Voronoi diagram data structure. Proposed approaches reveal geometrical, topological, and directional information. Experimental resultsdemonstrate the applicability and usefulness of proposed three approaches.

Keywords: Visual Analytics, Higher Order Information, Trajectory Datasets, Spatio-temporal data.

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Authors: Ali M. Jawarneh, Ahmad S. AL-Shyyab

Abstract:

The purpose of this work is to present the potential of solar energy in Zarqa region. The solar radiation along year 2009 was obtained from Pyranometer which measures the global radiation over horizontal surfaces. Solar data in several different forms, over period of 5 minutes, hour-by-hour, daily and monthly data radiation have been presented. Briefly, the yearly global solar radiation in Zarqa is 7297.5 MJ/m2 (2027 kWh/m²) and the average annual solar radiation per day is 20 MJ/m2 (5.5 Kwh/m2). More specifically, the average annual solar radiation per day is 12.9 MJ/m2 (3.57 Kwh/m2) in winter and 25 MJ/m2 (7 Kwh/m2) in summer.

Keywords: Solar Energy, Pyranometer, Zarqa Region

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Authors: Jaechun No

Abstract:

This paper focuses on I/O optimizations of N-hybrid (New-Form of hybrid), which provides a hybrid file system space constructed on SSD and HDD. Although the promising potentials of SSD, such as the absence of mechanical moving overhead and high random I/O throughput, have drawn a lot of attentions from IT enterprises, its high ratio of cost/capacity makes it less desirable to build a large-scale data storage subsystem composed of only SSDs. In this paper, we present N-hybrid that attempts to integrate the strengths of SSD and HDD, to offer a single, large hybrid file system space. Several experiments were conducted to verify the performance of N-hybrid.

Keywords: SSD, data section, I/O optimizations.

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

Abstract:

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

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

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