Search results for: Proteus for hardware simulation.

Authors: Wenjing Ding, Weiwei Shan, Zijuan, Wang, Chao He

Abstract:

Liquid spray heat exchanger is the critical equipment of temperature regulating system by gaseous nitrogen which realizes the environment temperature in the range of -180 ℃~+180 ℃. Liquid nitrogen is atomized into smaller liquid drops through liquid nitrogen sprayer and then contacts with gaseous nitrogen to be cooled. By adjusting the pressure of liquid nitrogen and gaseous nitrogen, the flowrate of liquid nitrogen is changed to realize the required outlet temperature of heat exchanger. The temperature accuracy of shrouds is ±1 ℃. Liquid nitrogen spray heat exchanger is simulated by CATIA, and the numerical simulation is performed by FLUENT. The comparison between the tests and numerical simulation is conducted. Moreover, the results help to improve the design of liquid nitrogen spray heat exchanger.

Keywords: Liquid nitrogen spray, temperature regulating system, heat exchanger, numerical simulation.

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Authors: Shiuh-Jer Huang, Yu-Chi Liu, Su-Hai Hsiang

Abstract:

A novel low-cost impedance control structure is proposed for monitoring the contact force between end-effector and environment without installing an expensive force/torque sensor. Theoretically, the end-effector contact force can be estimated from the superposition of each joint control torque. There have a nonlinear matrix mapping function between each joint motor control input and end-effector actuating force/torques vector. This new force control structure can be implemented based on this estimated mapping matrix. First, the robot end-effector is manipulated to specified positions, then the force controller is actuated based on the hall sensor current feedback of each joint motor. The model-free fuzzy sliding mode control (FSMC) strategy is employed to design the position and force controllers, respectively. All the hardware circuits and software control programs are designed on an Altera Nios II embedded development kit to constitute an embedded system structure for a retrofitted Mitsubishi 5 DOF robot. Experimental results show that PI and FSMC force control algorithms can achieve reasonable contact force monitoring objective based on this hardware control structure.

Keywords: Robot, impedance control, fuzzy sliding mode control, contact force estimator.

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Authors: M. Aqeel Iqbal

Abstract:

Fully customized hardware based technology provides high performance and low power consumption by specializing the tasks in hardware but lacks design flexibility since any kind of changes require re-design and re-fabrication. Software based solutions operate with software instructions due to which a great flexibility is achieved from the easy development and maintenance of the software code. But this execution of instructions introduces a high overhead in performance and area consumption. In past few decades the reconfigurable computing domain has been introduced which overcomes the traditional trades-off between flexibility and performance and is able to achieve high performance while maintaining a good flexibility. The dramatic gains in terms of chip performance and design flexibility achieved through the reconfigurable computing systems are greatly dependent on the design of their computational units being integrated with reconfigurable logic resources. The computational unit of any reconfigurable system plays vital role in defining its strength. In this research paper an RFU based computational unit design has been presented using the tightly coupled, multi-threaded reconfigurable cores. The proposed design has been simulated for VLIW based architectures and a high gain in performance has been observed as compared to the conventional computing systems.

Keywords: Configuration Stream, Configuration overhead, Configuration Controller, Reconfigurable devices.

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Authors: F. Lemfeld, K. Frana

Abstract:

This article deals with the numerical simulation of the floor heating convector in 3D. Presented convector can operate in two modes – cooling mode and heating mode. This initial numerical simulation is focused on cooling mode of the convector. Models with different temperature of the fins are compared and three various shapes of the fins are examined as well. The objective of the work is to predict air flow and heat transfer inside convector for further optimalization of these devices. For the numerical simulation was used commercial software Ansys Fluent.

Keywords: Cooling output, floor heating convector, numericalsimulation, optimalization.

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Authors: Sadi Vural, Hiromi Tomii, Hironori Yamauchi

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With the advent of digital cinema and digital broadcasting, copyright protection of video data has been one of the most important issues. We present a novel method of watermarking for video image data based on the hardware and digital wavelet transform techniques and name it as “traceable watermarking" because the watermarked data is constructed before the transmission process and traced after it has been received by an authorized user. In our method, we embed the watermark to the lowest part of each image frame in decoded video by using a hardware LSI. Digital Cinema is an important application for traceable watermarking since digital cinema system makes use of watermarking technology during content encoding, encryption, transmission, decoding and all the intermediate process to be done in digital cinema systems. The watermark is embedded into the randomly selected movie frames using hash functions. Embedded watermark information can be extracted from the decoded video data. For that, there is no need to access original movie data. Our experimental results show that proposed traceable watermarking method for digital cinema system is much better than the convenient watermarking techniques in terms of robustness, image quality, speed, simplicity and robust structure.

Keywords: Decoder, Digital content, JPEG2000 Frame, System-On-Chip, traceable watermark, Hash Function, CRC-32.

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Authors: Yun-Pang Flötteröd, Jakob Erdmann

Abstract:

The human behaviors during evacuations are quite complex. One of the critical behaviors which affect the efficiency of evacuation is route choice. Therefore, the respective simulation modeling work needs to function properly. In this paper, Simulation of Urban Mobility’s (SUMO) current dynamic route modeling during evacuation, i.e. the rerouting functions, is examined with a real case study. The result consistency of the simulation and the reality is checked as well. Four influence factors (1) time to get information, (2) probability to cancel a trip, (3) probability to use navigation equipment, and (4) rerouting and information updating period are considered to analyze possible traffic impacts during the evacuation and to examine the rerouting functions in SUMO. Furthermore, some behavioral characters of the case study are analyzed with use of the corresponding detector data and applied in the simulation. The experiment results show that the dynamic route modeling in SUMO can deal with the proposed scenarios properly. Some issues and function needs related to route choice are discussed and further improvements are suggested.

Keywords: Evacuation, microscopic traffic simulation, rerouting, SUMO.

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Authors: Yang Li, Xiaorong Guan, Cheng Xu

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In order to design a suitable control scheme for human extremity exoskeleton, the interaction force control scheme with traditional PI controller was presented, and the simulation study of the electromechanical system of the human extremity exoskeleton was carried out by using a MATLAB/Simulink module. By analyzing the simulation calculation results, it was shown that the traditional PI controller is not very suitable for every movement speed of human body. So, at last the fuzzy self-adaptive PI controller was presented to solve this problem. Eventually, the superiority and feasibility of the fuzzy self-adaptive PI controller was proved by the simulation results and experimental results.

Keywords: Human extremity exoskeleton, interaction force control scheme, simulation study, fuzzy self-adaptive pi controller, man-machine coordinated walking, bear payload.

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Authors: B. Kędra, R. Małkowski

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This paper presents information on Power System Component Simulator – a device designed for LINTE^2 laboratory owned by Gdansk University of Technology in Poland. In this paper, we first provide an introductory information on the Power System Component Simulator and its capabilities. Then, the concept of the unit is presented. Requirements for the unit are described as well as proposed and introduced functions are listed. Implementation details are given. Hardware structure is presented and described. Information about used communication interface, data maintenance and storage solution, as well as used Simulink real-time features are presented. List and description of all measurements is provided. Potential of laboratory setup modifications is evaluated. Lastly, the results of experiments performed using Power System Component Simulator are presented. This includes simulation of under frequency load shedding, frequency and voltage dependent characteristics of groups of load units, time characteristics of group of different load units in a chosen area.

Keywords: Power converter, Simulink real-time, MATLAB, load, tap controller.

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Authors: M. Gregor, J. Polcar, P. Horejsi, M. Simon

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Machine visualization is an area of interest with fast and progressive development. We present a method of machine visualization which will be applicable in real industrial conditions according to current needs and demands. Real factory data were obtained in a newly built research plant. Methods described in this paper were validated on a case study. Input data were processed and the virtual environment was created. The environment contains information about dimensions, structure, disposition, and function. Hardware was enhanced by modular machines, prototypes, and accessories. We added functionalities and machines into the virtual environment. The user is able to interact with objects such as testing and cutting machines, he/she can operate and move them. Proposed design consists of an environment with two degrees of freedom of movement. Users are in touch with items in the virtual world which are embedded into the real surroundings. This paper describes development of the virtual environment. We compared and tested various options of factory layout virtualization and visualization. We analyzed possibilities of using a 3D scanner in the layout obtaining process and we also analyzed various virtual reality hardware visualization methods such as: Stereoscopic (CAVE) projection, Head Mounted Display (HMD) and augmented reality (AR) projection provided by see-through glasses.

Keywords: Augmented reality, spatial scanner, virtual environment, virtual reality.

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Authors: Nabeel A. Qazi, Absaar ul Jabbar, Khalid Parvez

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A code has been developed in Mathematica using Direct Simulation Monte Carlo (DSMC) technique. The code was tested for 2-D air flow around a circular cylinder. Same geometry and flow properties were used in FLUENT 6.2 for comparison. The results obtained from Mathematica simulation indicated significant agreement with FLUENT calculations, hence providing insight into particle nature of fluid flows.

Keywords: DSMC algorithm, non continuum gas flows, Monte Carlo methods

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Authors: U. Tancredi, D. Accardo, M. Grassi, G. Fasano, A. E. Tirri, A. Vitale, N. Genito, F. Montemari, L. Garbarino

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The development of guidance, navigation and control algorithms and avionic procedures requires the disposability of suitable analysis and verification tools, such as simulation environments, which support the design process and allow detecting potential problems prior to the flight test, in order to make new technologies available at reduced cost, time and risk. This paper presents a simulation environment for avionic software development and qualification, especially aimed at equipment for general aviation aircrafts and unmanned aerial systems. The simulation environment includes models for short and medium-range radio-navigation aids, flight assistance systems, and ground control stations. All the software modules are able to simulate the modeled systems both in fast-time and real-time tests, and were implemented following component oriented modeling techniques and requirement based approach. The paper describes the specific models features, the architectures of the implemented software systems and its validation process. Performed validation tests highlighted the capability of the simulation environment to guarantee in real-time the required functionalities and performance of the simulated avionics systems, as well as to reproduce the interaction between these systems, thus permitting a realistic and reliable simulation of a complete mission scenario.

Keywords: ADS-B, avionics, NAVAIDs, real time simulation, TCAS, UAS ground control station.

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Authors: Maryam Gallab, Hafida Bouloiz, Youness Chater, Mohamed Tkiouat

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The aim of this paper is to present a model based on multi-agent systems in order to manage the maintenance activities and to ensure the reliability and availability of machines just with the required resources (operators, tools). The interest of the simulation is to solve the complexity of the system and to find results without cost or wasting time. An implementation of the model is carried out on the AnyLogic platform to display the defined performance indicators.

Keywords: Maintenance, complexity, simulation, multi-agent systems, AnyLogic platform.

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Authors: Mwafak Shakoor

Abstract:

The purpose of this study was to reduce patient waiting times, improve system throughput and improve resources utilization in radiology department. A discrete event simulation model was developed using Arena simulation software to investigate different alternatives to improve the overall system delivery based on adding resource scenarios due to the linkage between patient waiting times and resource availability. The study revealed that there is no addition investment need to procure additional scanner but hospital management deploy managerial tactics to enhance machine utilization and reduce the long waiting time in the department.

Keywords: Arena, Computed Tomography (CT), Discrete event simulation, Healthcare modeling, Radiology department, Waiting time.

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Authors: V. Karri, W. K. Yap, J. Titchen

Abstract:

A renewable energy system discussed in this paper is a stand-alone wind-hydrogen system for a remote island in Australia. The analysis of an existing wind-diesel power system was performed. Simulation technique was used to model the power system currently employed on the island, and simulated different configurations of additional hydrogen energy system. This study aims to determine the suitable hydrogen integrated configuration to setting up the prototype system for the island, which helps to reduce the diesel consumption on the island. A set of configurations for the hydrogen system and associated parameters that consists of wind turbines, electrolysers, hydrogen internal combustion engines, and storage tanks has been purposed. The simulation analyses various configurations that perfectly balances the system to meet the demand on the island.

Keywords: Hydrogen power systems, hydrogen internal combustion engine, modeling and simulation of hydrogen power systems.

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Authors: Benmabrouk. Zaineb, Ben Hamed. Mouna, Lassad. Sbita

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This article deals to describe the simulation investigation of the digital phase locked loop implemented in software (SDPLL). SDPLL has been developed for speed drives of an induction motor in scalar strategy. A drive was implemented and simulation results are presented to verify the robustness against motor parameter variation and regulation speed.

Keywords: Induction motor, Software Digital Phase LockedLoop, Speed control, Simulation.

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Authors: Stephen Kirkup

Abstract:

This paper discusses the implementation of the boundary element method (BEM) on an Excel spreadsheet and how it can be used in teaching vector calculus and simulation. There are two separate spreadheets, within which Laplace equation is solved by the BEM in two dimensions (LIBEM2) and axisymmetric three dimensions (LBEMA). The main algorithms are implemented in the associated programming language within Excel, Visual Basic for Applications (VBA). The BEM only requires a boundary mesh and hence it is a relatively accessible method. The BEM in the open spreadsheet environment is demonstrated as being useful as an aid to teaching and learning. The application of the BEM implemented on a spreadsheet for educational purposes in introductory vector calculus and simulation is explored. The development of assignment work is discussed, and sample results from student work are given. The spreadsheets were found to be useful tools in developing the students’ understanding of vector calculus and in simulating heat conduction.

Keywords: Boundary element method, laplace equation, vector calculus, simulation, education.

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Authors: Ahmed Sh. Khusheef, Ganesh Kothapalli, Majid Tolouei-Rad

Abstract:

Utilization of various sensors has made it possible to extend capabilities of industrial robots. Among these are vision sensors that are used for providing visual information to assist robot controllers. This paper presents a method of integrating a vision system and a simulation program with an industrial robot. The vision system is employed to detect a target object and compute its location in the robot environment. Then, the target object-s information is sent to the robot controller via parallel communication port. The robot controller uses the extracted object information and the simulation program to control the robot arm for approaching, grasping and relocating the object. This paper presents technical details of system components and describes the methodology used for this integration. It also provides a case study to prove the validity of the methodology developed.

Keywords: industrial robot, integration, simulation, vision system

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Authors: Ahmad M. Abdel Fattah, Ayman M. Bahaa El-Din, Hossam M.A. Fahmy

Abstract:

Modular multiplication is the basic operation in most public key cryptosystems, such as RSA, DSA, ECC, and DH key exchange. Unfortunately, very large operands (in order of 1024 or 2048 bits) must be used to provide sufficient security strength. The use of such big numbers dramatically slows down the whole cipher system, especially when running on embedded processors. So far, customized hardware accelerators - developed on FPGAs or ASICs - were the best choice for accelerating modular multiplication in embedded environments. On the other hand, many algorithms have been developed to speed up such operations. Examples are the Montgomery modular multiplication and the interleaved modular multiplication algorithms. Combining both customized hardware with an efficient algorithm is expected to provide a much faster cipher system. This paper introduces an enhanced architecture for computing the modular multiplication of two large numbers X and Y modulo a given modulus M. The proposed design is compared with three previous architectures depending on carry save adders and look up tables. Look up tables should be loaded with a set of pre-computed values. Our proposed architecture uses the same carry save addition, but replaces both look up tables and pre-computations with an enhanced version of sign detection techniques. The proposed architecture supports higher frequencies than other architectures. It also has a better overall absolute time for a single operation.

Keywords: Montgomery multiplication, modular multiplication, efficient architecture, FPGA, RSA

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Authors: Yanyan Yu, Haiping Ding, Pengjun Chen, Yiou Sun

Abstract:

Fault depth is an important parameter to be determined in ground motion simulation, and peak ground velocity (PGV) demonstrates good application prospect. Using numerical simulation method, the variations of distribution and peak value of near-fault PGV with different fault depth were studied in detail, and the reason of some phenomena were discussed. The simulation results show that the distribution characteristics of PGV of fault-parallel (FP) component and fault-normal (FN) component are distinctly different; the value of PGV FN component is much larger than that of FP component. With the increase of fault depth, the distribution region of the FN component strong PGV moves forward along the rupture direction, while the strong PGV zone of FP component becomes gradually far away from the fault trace along the direction perpendicular to the strike. However, no matter FN component or FP component, the strong PGV distribution area and its value are both quickly reduced with increased fault depth. The results above suggest that the fault depth have significant effect on both FN component and FP component of near-fault PGV.

Keywords: Fault depth, near-fault, PGV, numerical simulation.

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Authors: Marco Intelvi, Apolinar Picado, Joaquín Martínez

Abstract:

In this work, simulation algorithms for contact drying of agitated particulate materials under vacuum and at atmospheric pressure were developed. The implementation of algorithms gives a predictive estimation of drying rate curves and bulk bed temperature during contact drying. The calculations are based on the penetration model to describe the drying process, where all process parameters such as heat and mass transfer coefficients, effective bed properties, gas and liquid phase properties are estimated with proper correlations. Simulation results were compared with experimental data from the literature. In both cases, simulation results were in good agreement with experimental data. Few deviations were identified and the limitations of the predictive capabilities of the models are discussed. The programs give a good insight of the drying behaviour of the analysed powders.

Keywords: Agitated bed, Atmospheric pressure, Penetrationmodel, Vacuum

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Authors: Kedit J.

Abstract:

This paper is the tomographic images reconstruction simulation for defects detection in specimen. The specimen is the thin cylindrical steel contained with low density materials. The defects in material are simulated in three shapes.The specimen image function will be transformed to projection data. Radon transform and its inverse provide the mathematical for reconstructing tomographic images from projection data. The result of the simulation show that the reconstruction images is complete for defect detection.

Keywords: Tomography, Tomography Reconstruction, Radon Transform

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Authors: Hiroyuki Nishida, Taku Nonomura, Takashi Abe

Abstract:

Wall-surface jet induced by the dielectric barrier discharge (DBD) has been proposed as an actuator for active flow control in aerodynamic applications. Discharge plasma evolution of the DBD plasma actuator was simulated based on a simple fluid model, in which the electron, one type of positive ion and negative ion were taken into account. Two-dimensional simulation was conducted, and the results are in agreement with the insights obtained from experimental studies. The simulation results indicate that the discharge mode changes depending on applied voltage slope; when the applied voltage is positive-going with high applied voltage slope, the corona-type discharge mode turns into the streamer-type discharge mode and the threshold voltage slope is around 300 kV/ms in this simulation. The characteristics of the electrohydrodynamic (EHD) force, which is the source of the wall-surface jet, also change depending on the discharge mode; the tentative peak value of the EHD force during the positive-going voltage phase is saturated by the periodical formation of the streamer-type discharge.

Keywords: Dielectric barrier discharge, Plasma actuator, Fluid simulation.

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Authors: Thomas M. Prinz Wilhelm R. Rossak, Kai Gebhardt

Abstract:

A straightforward and intuitive combination of single simulations into an aggregated master-simulation is not trivial. There are lots of problems, which trigger-specific difficulties during the modeling and execution of such a simulation. In this paper we identify these problems and aim to solve them by mapping the task to the field of multi agent systems. The solution is a new meta-model named AGENTMAP, which is able to mitigate most of the problems and to support intuitive modeling at the same time. This meta-model will be introduced and explained on basis of an example from the e-commerce domain.

Keywords: Multi Agent System, Agent-based Simulation, Distributed Systems, Meta-models.

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Authors: Ciprian Dobre

Abstract:

The scale, complexity and worldwide geographical spread of the LHC computing and data analysis problems are unprecedented in scientific research. The complexity of processing and accessing this data is increased substantially by the size and global span of the major experiments, combined with the limited wide area network bandwidth available. We present the latest generation of the MONARC (MOdels of Networked Analysis at Regional Centers) simulation framework, as a design and modeling tool for large scale distributed systems applied to HEP experiments. We present simulation experiments designed to evaluate the capabilities of the current real-world distributed infrastructure to support existing physics analysis processes and the means by which the experiments bands together to meet the technical challenges posed by the storage, access and computing requirements of LHC data analysis within the CMS experiment.

Keywords: Modeling and simulation, evaluation, large scale distributed systems, LHC experiments, CMS.

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Authors: Yin Yin Phyo, Tun Lin Naing

Abstract:

This paper investigated the simulation of two-phase interleaved boost converter (IBC) with free and open-source software Scilab/Xcos. By using interleaved method, it can reduce current stress on components, components size, input current ripple and output voltage ripple. The required mathematical model is obtained from the equivalent circuit of its different four modes of operation for simulation. The equivalent circuits are considered in continuous conduction mode (CCM). The average values of the system variables are derived from the state-space equation to find the equilibrium point. Scilab is now becoming more and more popular among students, engineers and scientists because it is open-source software and free of charge. It gives a great convenience because it has powerful computation and simulation function. The waveforms of output voltage, input current and inductors current are obtained by using Scilab/Xcos.

Keywords: Two-phase boost converter, continuous conduction mode, free and open-source, interleaved method, dynamic simulation.

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Authors: Mohd Fairuz Iskandar Othman, Nazrulazhar Bahaman, Zulkiflee Muslim, Faizal Abdollah

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This paper discusses a curriculum approach that will give emphasis on practical portions of teaching network security subjects in information and communication technology courses. As we are well aware, the need to use a practice and application oriented approach in education is paramount. Research on active learning and cooperative groups have shown that students grasps more and have more tendency towards obtaining and realizing soft skills like leadership, communication and team work as opposed to the more traditional theory and exam based teaching and learning. While this teaching and learning paradigm is relatively new in Malaysia, it has been practiced widely in the West. This paper examines a certain approach whereby students learning wireless security are divided into and work in small and manageable groups where there will be 2 teams which consist of black hat and white hat teams. The former will try to find and expose vulnerabilities in a wireless network while the latter will try their best to prevent such attacks on their wireless networks using hardware, software, design and enforcement of security policy and etc. This paper will try to show that the approach taken plus the use of relevant and up to date software and hardware and with suitable environment setting will hopefully expose students to a more fruitful outcome in terms of understanding of concepts, theories and their motivation to learn.

Keywords: Curriculum approach, wireless networks, wirelesssecurity.

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Authors: V. Ten

Abstract:

An approach of design of stable of control systems with ultimately wide ranges of uncertainly disturbed parameters is offered. The method relies on using of nonlinear structurally stable functions from catastrophe theory as controllers. Theoretical part presents an analysis of designed nonlinear second-order control systems. As more important the integrators in series, canonical controllable form and Jordan forms are considered. The analysis resumes that due to added controllers systems become stable and insensitive to any disturbance of parameters. Experimental part presents MATLAB simulation of design of control systems of epidemic spread, aircrafts angular motion and submarine depth. The results of simulation confirm the efficiency of offered method of design. KeywordsCatastrophes, robust control, simulation, uncertain parameters.

Keywords: Catastrophes, robust control, simulation, uncertain parameters.

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Authors: Sofien Chtourou, Mohamed Chtourou, Omar Hammami

Abstract:

Embedded systems need to respect stringent real time constraints. Various hardware components included in such systems such as cache memories exhibit variability and therefore affect execution time. Indeed, a cache memory access from an embedded microprocessor might result in a cache hit where the data is available or a cache miss and the data need to be fetched with an additional delay from an external memory. It is therefore highly desirable to predict future memory accesses during execution in order to appropriately prefetch data without incurring delays. In this paper, we evaluate the potential of several artificial neural networks for the prediction of instruction memory addresses. Neural network have the potential to tackle the nonlinear behavior observed in memory accesses during program execution and their demonstrated numerous hardware implementation emphasize this choice over traditional forecasting techniques for their inclusion in embedded systems. However, embedded applications execute millions of instructions and therefore millions of addresses to be predicted. This very challenging problem of neural network based prediction of large time series is approached in this paper by evaluating various neural network architectures based on the recurrent neural network paradigm with pre-processing based on the Self Organizing Map (SOM) classification technique.

Keywords: Address, data set, memory, prediction, recurrentneural network.

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Authors: Santanu Santra, Utpal Roy

Abstract:

Quantum-dot Cellular Automata (QCA) is one of the most substitute emerging nanotechnologies for electronic circuits, because of lower power consumption, higher speed and smaller size in comparison with CMOS technology. The basic devices, a Quantum-dot cell can be used to implement logic gates and wires. As it is the fundamental building block on nanotechnology circuits. By applying XOR gate the hardware requirements for a QCA circuit can be decrease and circuits can be simpler in terms of level, delay and cell count. This article present a modest approach for implementing novel optimized XOR gate, which can be applied to design many variants of complex QCA circuits. Proposed XOR gate is simple in structure and powerful in terms of implementing any digital circuits. In order to verify the functionality of the proposed design some complex implementation of parity generator and parity checker circuits are proposed and simulating by QCA Designer tool and compare with some most recent design. Simulation results and physical relations confirm its usefulness in implementing every digital circuit.

Keywords: Clock, CMOS technology, Logic gates, QCA Designer, Quantum-dot Cellular Automata (QCA).

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Authors: Salem El-t. Ashoor, Ibtisam M. Ediab

Abstract:

Zirconium diamine and triamine complexes can possess biological activities. These complexes were synthesised via the reaction of equimolar quantities of 1,10-phenanthroline {NC₃H₃(C₆H₂)NC₃H₃} (L1) or 4-4-amino phenazone {ONC₆H₅(NH)CH(NH₂} (L2) or diphenyl carbizon {HNNCO(NH)₂(C₆H₅)} (L3) with a Zirconium Salt {ZrOCl₂} in a 1:1 ratio to form complexes [{NC₃H₃(C₆H₂)NC₃H₃}ZrOCl₂}] [ZrOCl₂L₁], [{(O₂NC₆H₄(NH)(NH₂)}ZrOCl₂] [ZrOCl₂L₂] and [{HNNCO(NH)₂(C₆H₅)ZrOCl₂}] [ZrOCl₂L₃] respectively. They were characterised using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes was completed, using UV-Visible spectroscopy to observe electronic transitions under temperature control. Also a DFT study was done on these complexes via the information from FT-IR and UV-Visible spectroscopy.

These complexes were found to show different inhibition to the growth of bacterial strains of Bacillus spp. & Klebsiella spp. & E. coli & Proteus spp. & Pseudomona spp. at different concentrations (0.001, 0.2 and 1M). For better understanding these complexes were examined by using a Density Functional Theory (DFT) calculation.

Keywords: (1:10-phenanthroline) (L1), 4-4-amino phenazone (L2), diphenyl carbizon (L3), DFT study, antibacterial.

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