Search results for: complex shifted linear system

Authors: Shweta Shah, Upena Dalal

Abstract:

The development of wireless communication technologies has changed our living style in global level. After the international success of mobile telephony standards, the location and time independent voice connection has become a default method in daily telecommunications. As for today, highly advanced multimedia messaging plays a key role in value added service handling. Along with evolving data services, the need for more complex applications can be seen, including the mobile usage of broadcast technologies. Here performance of a system design for terrestrial multimedia content is examined with emphasis on mobile reception. This review paper has accommodated the understanding of physical layer role and the flavour of terrestrial channel effects on the terrestrial multimedia transmission using OFDM keeping DVB-H as benchmark standard.

Keywords: Digital Video Broadcast-Handhelds, Multimedia, OFDM, Physical Layer

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Authors: Young-Seok Choi

Abstract:

We present a family of data-reusing and affine projection algorithms. For identification of a noisy linear finite impulse response channel, a partial knowledge of a channel, especially noise, can be used to improve the performance of the adaptive filter. Motivated by this fact, the proposed scheme incorporates an estimate of a knowledge of noise. A constraint, called the adaptive noise constraint, estimates an unknown information of noise. By imposing this constraint on a cost function of data-reusing and affine projection algorithms, a cost function based on the adaptive noise constraint and Lagrange multiplier is defined. Minimizing the new cost function leads to the adaptive noise constrained (ANC) data-reusing and affine projection algorithms. Experimental results comparing the proposed schemes to standard data-reusing and affine projection algorithms clearly indicate their superior performance.

Keywords: Data-reusing, affine projection algorithm, error constraint, system identification.

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Authors: K. Kemih, M. Benslama

Abstract:

This paper investigates the problem of spreading sequence and receiver code synchronization techniques for satellite based CDMA communications systems. The performance of CDMA system depends on the autocorrelation and cross-correlation properties of the used spreading sequences. In this paper we propose the uses of chaotic Lu system to generate binary sequences for spreading codes in a direct sequence spread CDMA system. To minimize multiple access interference (MAI) we propose the use of genetic algorithm for optimum selection of chaotic spreading sequences. To solve the problem of transmitter-receiver synchronization, we use the passivity controls. The concept of semipassivity is defined to find simple conditions which ensure boundedness of the solutions of coupled Lu systems. Numerical results are presented to show the effectiveness of the proposed approach.

Keywords: About Chaotic Lu system, synchronization, Spreading sequence, Genetic Algorithm. Passive System

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Authors: Ali Awde, Yacine Bellik, Chakib Tadj

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Our adaptive multimodal system aims at correctly presenting a mathematical expression to visually impaired users. Given an interaction context (i.e. combination of user, environment and system resources) as well as the complexity of the expression itself and the user-s preferences, the suitability scores of different presentation format are calculated. Unlike the current state-of-the art solutions, our approach takes into account the user-s situation and not imposes a solution that is not suitable to his context and capacity. In this wok, we present our methodology for calculating the mathematical expression complexity and the results of our experiment. Finally, this paper discusses the concepts and principles applied on our system as well as their validation through cases studies. This work is our original contribution to an ongoing research to make informatics more accessible to handicapped users.

Keywords: Adaptive system, intelligent multi-agent system, mathematics for visually-impaired users.

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Authors: Rahib H. Abiyev

Abstract:

In this paper the application of neuro-fuzzy system for equalization of channel distortion is considered. The structure and operation algorithm of neuro-fuzzy equalizer are described. The use of neuro-fuzzy equalizer in digital signal transmission allows to decrease training time of parameters and decrease the complexity of the network. The simulation of neuro-fuzzy equalizer is performed. The obtained result satisfies the efficiency of application of neurofuzzy technology in channel equalization.

Keywords: Neuro-fuzzy system, noise equalization, neuro-fuzzy equalizer, neural system.

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Authors: Gulshan Sachdeva, Vaibhav Jain

Abstract:

In present paper, the performance of various alternative refrigerants is compared to find the substitute of R22, the widely used hydrochlorofluorocarbon refrigerant in developing countries. These include the environmentally friendly hydrofluorocarbon (HFC) refrigerants such as R134A, R410A, R407C and M20. In the present study, a steady state thermodynamic model (includes both first and second law analysis) which simulates the working of an actual vapor-compression system is developed. The model predicts the performance of system with alternative refrigerants. Considering the recent trends of replacement of ozone depleting refrigerants and improvement in system efficiency, R407C is found to be potential candidate to replace R22 refrigerant in the present study.

Keywords: Refrigeration, compression system, performance study, modeling, R407C.

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Authors: Yongyoon Suh, Yongtae Park

Abstract:

The interaction among information and communication technology (ICT) industries is a recently ubiquitous phenomenon through fixed-mobile integration. To monitor the impact of interaction, previous research has mainly focused on measuring spillover effect among ICT industries using various methods. Among others, inter-industry analysis is one of the useful methods for examining spillover effect between industries. However, more complex ICT industries become, more important the impact within an industry is. Inter-industry analysis is limited in mirroring intra-relationships within an industry. Thus, this study applies the analytic network process (ANP) to measure the spillover effect, capturing all of the intra and inter-relationships. Using ANP-based intra and inter-industry analysis, the spillover effect is effectively measured, mirroring the complex structure of ICT industries. A main ICT industry and its linkages are also explored to show the current structure of ICT industries. The proposed approach is expected to allow policy makers to understand interactions of ICT industries and their impact.

Keywords: ANP, intra and inter-industry analysis, spillover effect

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Authors: Muhibul Haque Bhuyan, Quazi D. M. Khosru

Abstract:

Carriers scattering in the inversion channel of n- MOSFET dominates the drain current. This paper presents an effective electron mobility model for the pocket implanted nano scale n-MOSFET. The model is developed by using two linear pocket profiles at the source and drain edges. The channel is divided into three regions at source, drain and central part of the channel region. The total number of inversion layer charges is found for these three regions by numerical integration from source to drain ends and the number of depletion layer charges is found by using the effective doping concentration including pocket doping effects. These two charges are then used to find the effective normal electric field, which is used to find the effective mobility model incorporating the three scattering mechanisms, such as, Coulomb, phonon and surface roughness scatterings as well as the ballistic phenomena for the pocket implanted nano-scale n-MOSFET. The simulation results show that the derived mobility model produces the same results as found in the literatures.

Keywords: Linear Pocket Profile, Pocket Implanted n-MOSFET, Effective Electric Field and Effective Mobility Model.

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Authors: Smriti H. Bhandari, S. M. Deshpande

Abstract:

Surface metrology with image processing is a challenging task having wide applications in industry. Surface roughness can be evaluated using texture classification approach. Important aspect here is appropriate selection of features that characterize the surface. We propose an effective combination of features for multi-scale and multi-directional analysis of engineering surfaces. The features include standard deviation, kurtosis and the Canny edge detector. We apply the method by analyzing the surfaces with Discrete Wavelet Transform (DWT) and Dual-Tree Complex Wavelet Transform (DT-CWT). We used Canberra distance metric for similarity comparison between the surface classes. Our database includes the surface textures manufactured by three machining processes namely Milling, Casting and Shaping. The comparative study shows that DT-CWT outperforms DWT giving correct classification performance of 91.27% with Canberra distance metric.

Keywords: Dual-tree complex wavelet transform, surface metrology, surface roughness, texture classification.

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Authors: Mihai Rebenciuc, Simona Mihaela Bibic

Abstract:

Branch of modern mathematics, graphs represent instruments for optimization and solving practical applications in various fields such as economic networks, engineering, network optimization, the geometry of social action, generally, complex systems including contemporary urban problems (path or transport efficiencies, biourbanism, & c.). In this paper is studied the interconnection of some urban network, which can lead to a simulation problem of a digraph through another digraph. The simulation is made univoc or more general multivoc. The concepts of fragment and atom are very useful in the study of connectivity in the digraph that is simulation - including an alternative evaluation of k- connectivity. Rough set approach in (bi)digraph which is proposed in premier in this paper contribute to improved significantly the evaluation of k-connectivity. This rough set approach is based on generalized rough sets - basic facts are presented in this paper.

Keywords: (Bi)digraphs, rough set theory, systems of interacting agents, complex systems.

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Authors: N. Ebrahimi, J. Rashidinia

Abstract:

In this paper, numerical solution of system of Fredholm and Volterra integral equations by means of the Spline collocation method is considered. This approximation reduces the system of integral equations to an explicit system of algebraic equations. The solution is collocated by cubic B-spline and the integrand is approximated by the Newton-Cotes formula. The error analysis of proposed numerical method is studied theoretically. The results are compared with the results obtained by other methods to illustrate the accuracy and the implementation of our method.

Keywords: Convergence analysis, Cubic B-spline, Newton- Cotes formula, System of Fredholm and Volterra integral equations.

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Authors: A. Retbi, M. Khalidi Idrissi, S. Bennani

Abstract:

The success of an e-learning system is highly dependent on the quality of its educational content and how effective, complete, and simple the design tool can be for teachers. Educational modeling languages (EMLs) are proposed as design languages intended to teachers for modeling diverse teaching-learning experiences, independently of the pedagogical approach and in different contexts. However, most existing EMLs are criticized for being too abstract and too complex to be understood and manipulated by teachers. In this paper, we present a visual EML that simplifies the process of designing learning scenarios for teachers with no programming background. Based on the conceptual framework of the activity theory, our resulting visual EML focuses on using Domainspecific modeling techniques to provide a pedagogical level of abstraction in the design process.

Keywords: Educational modeling language, Domain Specific Modeling, authoring systems, learning scenario.

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Authors: Kai Wang, Yanling Zu

Abstract:

In this paper, a delayed predator-prey system with Hassell-Varley-Holling type functional response is studied. A sufficient criterion for the permanence of the system is presented, and further some sufficient conditions for the global attractivity and exponential stability of the system are established. And an example is to show the feasibility of the results by simulation.

Keywords: Predator-prey system, Hassell-Varley-Holling, delay, permanence, exponential stability.

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Authors: Ahmad B. Habieb, Gabriele Milani, Tavio Tavio, Federico Milani

Abstract:

Housings in developing countries have often inadequate seismic protection, particularly for masonry. People choose this type of structure since the cost and application are relatively cheap. Seismic protection of masonry remains an interesting issue among researchers. In this study, we develop a low-cost seismic isolation system for masonry using fiber reinforced elastomeric isolators. The elastomer proposed consists of few layers of rubber pads and fiber lamina, making it lower in cost comparing to the conventional isolators. We present a finite element (FE) analysis to predict the behavior of the low cost rubber isolators undergoing moderate deformations. The FE model of the elastomer involves a hyperelastic material property for the rubber pad. We adopt a Yeoh hyperelasticity model and estimate its coefficients through the available experimental data. Having the shear behavior of the elastomers, we apply that isolation system onto small masonry housing. To attach the isolators on the building, we model the shear behavior of the isolation system by means of a damped nonlinear spring model. By this attempt, the FE analysis becomes computationally inexpensive. Several ground motion data are applied to observe its sensitivity. Roof acceleration and tensile damage of walls become the parameters to evaluate the performance of the isolators. In this study, a concrete damage plasticity model is used to model masonry in the nonlinear range. This tool is available in the standard package of Abaqus FE software. Finally, the results show that the low-cost isolators proposed are capable of reducing roof acceleration and damage level of masonry housing. Through this study, we are also capable of monitoring the shear deformation of isolators during seismic motion. It is useful to determine whether the isolator is applicable. According to the results, the deformations of isolators on the benchmark one story building are relatively small.

Keywords: Masonry, low cost elastomeric isolator, finite element analysis, hyperelasticity, damped non-linear spring, concrete damage plasticity.

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Authors: N. A. Salim, M. M. Othman, I. Musirin, M. S. Serwan

Abstract:

Uncertainty of system operating conditions is one of the causative reasons which may render to the instability of a transmission system. For that reason, accurate assessment of transmission reliability margin (TRM) is essential to ensure effective power transfer between areas during the occurrence of system uncertainties. The power transfer is also called as the available transfer capability (ATC) which is the information required by the utilities and marketers to instigate selling and buying the electric energy. This paper proposes a computationally effective approach to estimate TRM and ATC by considering the uncertainties of system cascading collapse and transmission line outages. In accordance to the results that have been obtained, the proposed method is essential for the transmission providers which could help the power marketers and planning sectors in the operation and reserving transmission services based on the ATC calculated.

Keywords: Available transfer capability, System cascading collapse, Transmission line outages, Transmission reliability margin.

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Authors: Aroonsri Priprem, Sucharat Limsitthichaikoon, Suttasinee Thappasarapong

Abstract:

Anthocyanins are natural pigments with effective UV protection but their topical use could be limited due to their physicochemical characteristics. An attempt to overcome such limitations by complexation of 2 major anthocyanin-rich sources, C. ternatea and Z. mays, has potentiated its use as topical antiinflammatory. Cell studies indicate no cytotoxicity of the anthocyanin complex (AC) up to 1 mg/ml tested in HaCaT and human fore head fibroblasts by MTT. Croton oil-induced ear edema in Wistar rats suggests an effective dose of 5 mg/cm2 of AC as a topical anti-inflammatory in comparison to 0.5 mg/cm2 of fluocinolone acetonide. Niosomal encapsulation of the AC significantly prolonged the anti-inflammatory activity particularly at 8 h after topical application (p = 0.0001). The AC was not cytotoxic and its anti-inflammatory and activity was dose-dependent and prolonged by niosomal encapsulation. It has also shown to promote collagen type 1 production in cell culture. Thus, AC could be a potential candidate for topical anti-inflammatory agent from natural resources.

Keywords: Anthocyanin complex, ear edema, inflammation, niosomes, skin.

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Authors: Weiwen Li, Hao Huang, Chengmao You, Jianji Liao, Lei Wang, Lina An

Abstract:

Zooplankton are a central issue in the ecology which makes a great contribution to maintaining the balance of an ecosystem. It is critical in promoting the material cycle and energy flow within the ecosystems. A generalized additive model (GAM) was applied to analyze the relationships between the density (individuals per m³) of zooplankton and other variables in West Daya Bay. All data used in this analysis (the survey month, survey station (longitude and latitude), the depth of the water column, the superficial concentration of chlorophyll a, the benthonic concentration of chlorophyll a, the number of zooplankton species and the number of zooplankton species) were collected through monthly scientific surveys during January to December 2016. GLM model (generalized linear model) was used to choose the significant variables’ impact on the density of zooplankton, and the GAM was employed to analyze the relationship between the density of zooplankton and the significant variables. The results showed that the density of zooplankton increased with an increase of the benthonic concentration of chlorophyll a, but decreased with a decrease in the depth of the water column. Both high numbers of zooplankton species and the overall total number of zooplankton individuals led to a higher density of zooplankton.

Keywords: Density, generalized linear model, generalized additive model, the West Daya Bay, zooplankton.

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Authors: Joseph V. M. Halim, Hesham El-Badawy, Hadia M. El-Hennawy

Abstract:

In this paper, an adaptive polarized Multiple-Input Multiple-Output (MIMO) Multicarrier Spread Spectrum Code Division Multiple Access (MC-SS-CDMA) system is designed for downlink mobile communications. The proposed system will be examined in Frequency Division Duplex (FDD) mode for both macro urban and suburban environments. For the same transmission bandwidth, a performance comparison between both nonoverlapped and orthogonal Frequency Division Multiplexing (FDM) schemes will be presented. Also, the proposed system will be compared with both the closed loop vertical MIMO MC-SS-CDMA system and the synchronous vertical STBC-MIMO MC-SS-CDMA system. As will be shown, the proposed system introduces a significant performance gain as well as reducing the spatial dimensions of the MIMO system and simplifying the receiver implementation. The effect of the polarization diversity characteristics on the BER performance will be discussed. Also, the impact of excluding the cross-polarization MCSS- CDMA blocks in the base station will be investigated. In addition, the system performance will be evaluated under different Feedback Information (FBI) rates for slowly-varying channels. Finally, a performance comparison for vehicular and pedestrian environments will be presented

Keywords: Closed loop technique, MC-SS-CDMA, Polarized MIMO systems, Transmit diversity.

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Authors: Ibrahim F. Jasim

Abstract:

This paper presents a new stable robust adaptive controller and observer design for a class of nonlinear systems that contain i. Coupling of unmeasured states and unknown parameters ii. Unknown dead zone at the system actuator. The system is firstly cast into a modified form in which the observer and parameter estimation become feasible. Then a stable robust adaptive controller, state observer, parameter update laws are derived that would provide global adaptive system stability and desirable performance. To validate the approach, simulation was performed to a single-link mechanical system with a dynamic friction model and unknown dead zone exists at the system actuation. Then a comparison is presented with the results when there is no dead zone at the system actuation.

Keywords: Dead Zone, Nonlinear Systems, Observer, Robust Adaptive Control.

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Authors: Hosein Hamisheh Bahar, Mohammad Hossein Fazel Zarandi, Akbar Esfahanipour

Abstract:

In this paper, a hybrid expert system is developed by using fuzzy genetic network programming with reinforcement learning (GNP-RL). In this system, the frame-based structure of the system uses the trading rules extracted by GNP. These rules are extracted by using technical indices of the stock prices in the training time period. For developing this system, we applied fuzzy node transition and decision making in both processing and judgment nodes of GNP-RL. Consequently, using these method not only did increase the accuracy of node transition and decision making in GNP's nodes, but also extended the GNP's binary signals to ternary trading signals. In the other words, in our proposed Fuzzy GNP-RL model, a No Trade signal is added to conventional Buy or Sell signals. Finally, the obtained rules are used in a frame-based system implemented in Kappa-PC software. This developed trading system has been used to generate trading signals for ten companies listed in Tehran Stock Exchange (TSE). The simulation results in the testing time period shows that the developed system has more favorable performance in comparison with the Buy and Hold strategy.

Keywords: Fuzzy genetic network programming, hybrid expert system, technical trading signal, Tehran stock exchange.

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Authors: Elionai Moura, José A. da Cunha, César Analide

Abstract:

This paper introduces a proposal scheme for an Intelligent System applied to Pedagogical Advising using Case-Based Reasoning, to find consolidated solutions before used for the new problems, making easier the task of advising students to the pedagogical staff. We do intend, through this work, introduce the motivation behind the choices for this system structure, justifying the development of an incremental and smart web system who learns bests solutions for new cases when it’s used, showing technics and technology.

Keywords: Case-based Reasoning, Pedagogical Advising, Educational Data-Mining (EDM), Machine Learning.

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Authors: Jing Yu, Hongyang Liu, Dong Hao

Abstract:

On-Orbit Refueling is of great significance in extending space crafts' lifetime. The problem of minimum-fuel, time-fixed, Peer-to-Peer On-Orbit Refueling mission planning is addressed here with the particular aim of assigning fuel-insufficient satellites to the fuel-sufficient satellites and optimizing each rendezvous trajectory. Constraints including perturbation, communication link, sun illumination, hold points for different rendezvous phases, and sensor switching are considered. A planning model has established as well as a two-level solution method. The upper level deals with target assignment based on fuel equilibrium criterion, while the lower level solves constrained trajectory optimization using special maneuver strategies. Simulations show that the developed method could effectively resolve the Peer-to-Peer On-Orbit Refueling mission planning problem and deal with complex constraints.

Keywords: Mission planning, orbital rendezvous, on-orbit refueling, space mission.

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Authors: Leehter Yao, Chin-Chin Lin

Abstract:

An adaptive fuzzy PID controller with gain scheduling is proposed in this paper. The structure of the proposed gain scheduled fuzzy PID (GS_FPID) controller consists of both fuzzy PI-like controller and fuzzy PD-like controller. Both of fuzzy PI-like and PD-like controllers are weighted through adaptive gain scheduling, which are also determined by fuzzy logic inference. A modified genetic algorithm called accumulated genetic algorithm is designed to learn the parameters of fuzzy inference system. In order to learn the number of fuzzy rules required for the TSK model, the fuzzy rules are learned in an accumulated way. In other words, the parameters learned in the previous rules are accumulated and updated along with the parameters in the current rule. It will be shown that the proposed GS_FPID controllers learned by the accumulated GA perform well for not only the regular linear systems but also the higher order and time-delayed systems.

Keywords: Gain scheduling, fuzzy PID controller, adaptive control, genetic algorithm.

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Authors: Jian Zheng, Yoshiyasu Takahashi, Yuichi Kobayashi, Tatsuhiro Sato

Abstract:

In the study, we present a conceptual framework for developing a scheduling system that can generate self-explanatory and easy-understanding schedules. To this end, a user interface is conceived to help planners record factors that are considered crucial in scheduling, as well as internal and external sources relating to such factors. A hybrid approach combining machine learning and constraint programming is developed to generate schedules and the corresponding factors, and accordingly display them on the user interface. Effects of the proposed system on scheduling are discussed, and it is expected that scheduling efficiency and system understandability will be improved, compared with previous scheduling systems.

Keywords: Constraint programming, Factors considered in scheduling, machine learning, scheduling system.

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Authors: Collins C. Chiemeke, I. B. Osazuwa, Ibe S. O., Egwuonwu G. N., Ani C. D., Chii E. C.

Abstract:

The study area is Zaria, located in the basement complex of northern Nigeria. The rock type forming the major part of the Zaria batholith is granite. This research work was carried out to compare the responses of seismic refraction tomography and resistivity tomography in the same geologic environment and under the same conditions. Hence, the choice of the site that has a visible granitic outcrop that extends across a narrow stream channel and is flanked by unconsolidated overburden, a neutral profile that was covered by plain overburden and a site with thick lateritic cover became necessary. The results of the seismic and resistivity tomography models reveals that seismic velocity and resistivity does not always simultaneously increase with depth, but their responses in any geologic environment are determined by changes in the mechanical and chemical content of the rock types rather than depth.

Keywords: Environment, Resistivity, Response, Seismic, Velocity.

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Authors: Vasana M. Don, Eldad J. Avital, Fariborz Motallebi

Abstract:

Supersonic open and closed cavity flows are investigated experimentally and computationally. Free stream Mach number of two is set. Schlieren imaging is used to visualise the flow behaviour showing stark differences between open and closed. Computational Fluid Dynamics (CFD) is used to simulate open cavity of flow with aspect ratio of 4. A rear wall treatment is implemented in order to pursue a simple passive control approach. Good qualitative agreement is achieved between the experimental flow visualisation and the CFD in terms of the expansion-shock waves system. The cavity oscillations are shown to be dominated by the first and third Rossister modes combining to high fluctuations of non-linear nature above the cavity rear edge. A simple rear wall treatment in terms of a hole shows mixed effect on the flow oscillations, RMS contours, and time history density fluctuations are given and analysed.

Keywords: Supersonic, Schlieren, open-cavity, flow simulation, passive control.

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Authors: Hyung-Keun Jee, Sung-Uk Jung, Jang-Hee Yoo

Abstract:

To increase reliability of face recognition system, the system must be able to distinguish real face from a copy of face such as a photograph. In this paper, we propose a fast and memory efficient method of live face detection for embedded face recognition system, based on the analysis of the movement of the eyes. We detect eyes in sequential input images and calculate variation of each eye region to determine whether the input face is a real face or not. Experimental results show that the proposed approach is competitive and promising for live face detection.

Keywords: Liveness Detection, Eye detection, SQI.

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Authors: K. Kamalanand, P. Mannar Jawahar

Abstract:

Many systems in the natural world exhibit chaos or non-linear behavior, the complexity of which is so great that they appear to be random. Identification of chaos in experimental data is essential for characterizing the system and for analyzing the predictability of the data under analysis. The Lyapunov exponents provide a quantitative measure of the sensitivity to initial conditions and are the most useful dynamical diagnostic for chaotic systems. However, it is difficult to accurately estimate the Lyapunov exponents of chaotic signals which are corrupted by a random noise. In this work, a method for estimation of Lyapunov exponents from noisy time series using unscented transformation is proposed. The proposed methodology was validated using time series obtained from known chaotic maps. In this paper, the objective of the work, the proposed methodology and validation results are discussed in detail.

Keywords: Lyapunov exponents, unscented transformation, chaos theory, neural networks.

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Authors: Sung-Hun Lee, Yun-Seong Lee, Jin-O Kim

Abstract:

Reliability Centered Maintenance(RCM) is one of most widely used methods in the modern power system to schedule a maintenance cycle and determine the priority of inspection. In order to apply the RCM method to the Smart Grid, a precedence study for the new structure of rearranged system should be performed due to introduction of additional installation such as renewable and sustainable energy resources, energy storage devices and advanced metering infrastructure. This paper proposes a new method to evaluate the priority of maintenance and inspection of the power system facilities in the Smart Grid using the Risk Priority Number. In order to calculate that risk index, it is required that the reliability block diagram should be analyzed for the Smart Grid system. Finally, the feasible technical method is discussed to estimate the risk potential as part of the RCM procedure.

Keywords: Expert System, FMECA, Fuzzy Theory, Reliability Centered Maintenance, Risk Priority Number

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Authors: Salem El-tohami Ashoor

Abstract:

Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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