Search results for: Gholam Hossein Majzoobi
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 154

Search results for: Gholam Hossein Majzoobi

154 Experimental and Theoretical Investigation on Notched Specimens Life Under Bending Loading

Authors: Nasim Daemi, Gholam Hossein Majzoobi

Abstract:

In this work, bending fatigue life of notched specimens with various notch geometries and dimensions is investigated by experiment and Manson-Caffin theoretical method. In this theoretical method, fatigue life of notched specimens is calculated using the fatigue life obtained from the experiments for plain specimens (without notch). Three notch geometries including ∪-shape, ∨-shape and C -shape notches are considered in this investigation. The experiments are conducted on a rotary bending Moore machine. The specimens are made of a low carbon steel alloy, which has wide application in industry. The stress- life curves are captured for all notched specimen by experiment. The results indicate that Manson-Caffin analytical method cannot adequately predict the fatigue life of notched specimen. However, it seems that the difference between the experiments and Manson-Caffin predictions can be compensated by a proportional factor.

Keywords: fatigue life, Mason-Caffin method, notchedspecimen, stress-life curve.

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153 Effects of Electric Potential on Thermo-Mechanical Behavior of Functionally Graded Piezoelectric Hollow Cylinder under Non-Axisymmetric Loads

Authors: Amir Atrian, Javad Jafari Fesharaki, Gh. Hossein Majzoobi, Mahsa Sheidaee

Abstract:

The analytical solution of functionally graded piezoelectric hollow cylinder which is under radial electric potential and non-axisymmetric thermo-mechanical loads, are presented in this paper. Using complex Fourier series and estimation of power law for variations of material characterizations through the thickness, the electro thermo mechanical behavior of the FGPM cylinder is obtained. The stress and displacement distributions and the effect of electric potential field on the cylinder behavior are also presented and some applicable results are offered at the end of the paper.

Keywords: Analytical, FGM, Fourier series, Non-axisymmetric, Piezoelectric, Thermo-elasticity

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152 Assessing the Function of Light and Colorin Architectural View

Authors: Gholam Hossein Naseri, Manucher Tamizi

Abstract:

Light is one of the most important qualitative and symbolic factors and has a special position in architecture and urban development in regard to practical function. The main function of light, either natural or artificial, is lighting up the environment and the constructional forms which is called lighting. However, light is used to redefine the urban spaces by architectural genius with regard to three aesthetic, conceptual and symbolic factors. In architecture and urban development, light has a function beyond lighting up the environment, and the designers consider it as one of the basic components. The present research aims at studying the function of light and color in architectural view and their effects in buildings.

Keywords: Architectural View , Color , Light

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151 Compiler-Based Architecture for Context Aware Frameworks

Authors: Hossein Nejati, Seyed H. Mirisaee, Gholam H. Dastghaibifard

Abstract:

Computers are being integrated in the various aspects of human every day life in different shapes and abilities. This fact has intensified a requirement for the software development technologies which is ability to be: 1) portable, 2) adaptable, and 3) simple to develop. This problem is also known as the Pervasive Computing Problem (PCP) which can be implemented in different ways, each has its own pros and cons and Context Oriented Programming (COP) is one of the methods to address the PCP. In this paper a design for a COP framework, a context aware framework, is presented which has eliminated weak points of a previous design based on interpreter languages, while introducing the compiler languages power in implementing these frameworks. The key point of this improvement is combining COP and Dependency Injection (DI) techniques. Both old and new frameworks are analyzed to show advantages and disadvantages. Finally a simulation of both designs is proposed to indicating that the practical results agree with the theoretical analysis while the new design runs almost 8 times faster.

Keywords: Dependency Injection, Compiler-based architecture, Context-Oriented Programming, COP, Pervasive ComputingProblem

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150 A Model Predictive Control Based Virtual Active Power Filter Using V2G Technology

Authors: Mahdi Zolfaghari, Seyed Hossein Hosseinian, Hossein Askarian Abyaneh, Mehrdad Abedi

Abstract:

This paper presents a virtual active power filter (VAPF) using vehicle to grid (V2G) technology to maintain power quality requirements. The optimal discrete operation of the power converter of electric vehicle (EV) is based on recognizing desired switching states using the model predictive control (MPC) algorithm. A fast dynamic response, lower total harmonic distortion (THD) and good reference tracking performance are realized through the presented control strategy. The simulation results using MATLAB/Simulink validate the effectiveness of the scheme in improving power quality as well as good dynamic response in power transferring capability.

Keywords: Virtual active power filter, V2G technology, model predictive control, electric vehicle, power quality.

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149 Time Series Modelling and Prediction of River Runoff: Case Study of Karkheh River, Iran

Authors: Karim Hamidi Machekposhti, Hossein Sedghi, Abdolrasoul Telvari, Hossein Babazadeh

Abstract:

Rainfall and runoff phenomenon is a chaotic and complex outcome of nature which requires sophisticated modelling and simulation methods for explanation and use. Time Series modelling allows runoff data analysis and can be used as forecasting tool. In the paper attempt is made to model river runoff data and predict the future behavioural pattern of river based on annual past observations of annual river runoff. The river runoff analysis and predict are done using ARIMA model. For evaluating the efficiency of prediction to hydrological events such as rainfall, runoff and etc., we use the statistical formulae applicable. The good agreement between predicted and observation river runoff coefficient of determination (R2) display that the ARIMA (4,1,1) is the suitable model for predicting Karkheh River runoff at Iran.

Keywords: Time series modelling, ARIMA model, River runoff, Karkheh River, CLS method.

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148 A Mixed Expert Evaluation System and Dynamic Interval-Valued Hesitant Fuzzy Selection Approach

Authors: Hossein Gitinavard, Mohammad Hossein Fazel Zarandi

Abstract:

In the last decades, concerns about the environmental issues lead to professional and academic efforts on green supplier selection problems. In this sake, one of the main issues in evaluating the green supplier selection problems, which could increase the uncertainty, is the preferences of the experts' judgments about the candidate green suppliers. Therefore, preparing an expert system to evaluate the problem based on the historical data and the experts' knowledge can be sensible. This study provides an expert evaluation system to assess the candidate green suppliers under selected criteria in a multi-period approach. In addition, a ranking approach under interval-valued hesitant fuzzy set (IVHFS) environment is proposed to select the most appropriate green supplier in planning horizon. In the proposed ranking approach, the IVHFS and the last aggregation approach are considered to margin the errors and to prevent data loss, respectively. Hence, a comparative analysis is provided based on an illustrative example to show the feasibility of the proposed approach.

Keywords: Green supplier selection, expert system, ranking approach, interval-valued hesitant fuzzy setting.

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147 Web Usability : A Fuzzy Approach to the Navigation Structure Enhancement in a Website System, Case of Iranian Civil Aviation Organization Website

Authors: Hamed Qahri Saremi, Gholam Ali Montazer

Abstract:

With the proliferation of World Wide Web, development of web-based technologies and the growth in web content, the structure of a website becomes more complex and web navigation becomes a critical issue to both web designers and users. In this paper we define the content and web pages as two important and influential factors in website navigation and paraphrase the enhancement in the website navigation as making some useful changes in the link structure of the website based on the aforementioned factors. Then we suggest a new method for proposing the changes using fuzzy approach to optimize the website architecture. Applying the proposed method to a real case of Iranian Civil Aviation Organization (CAO) website, we discuss the results of the novel approach at the final section.

Keywords: Web content, Web navigation, Website system, Webusage mining.

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146 Flood Predicting in Karkheh River Basin Using Stochastic ARIMA Model

Authors: Karim Hamidi Machekposhti, Hossein Sedghi, Abdolrasoul Telvari, Hossein Babazadeh

Abstract:

Floods have huge environmental and economic impact. Therefore, flood prediction is given a lot of attention due to its importance. This study analysed the annual maximum streamflow (discharge) (AMS or AMD) of Karkheh River in Karkheh River Basin for flood predicting using ARIMA model. For this purpose, we use the Box-Jenkins approach, which contains four-stage method model identification, parameter estimation, diagnostic checking and forecasting (predicting). The main tool used in ARIMA modelling was the SAS and SPSS software. Model identification was done by visual inspection on the ACF and PACF. SAS software computed the model parameters using the ML, CLS and ULS methods. The diagnostic checking tests, AIC criterion, RACF graph and RPACF graphs, were used for selected model verification. In this study, the best ARIMA models for Annual Maximum Discharge (AMD) time series was (4,1,1) with their AIC value of 88.87. The RACF and RPACF showed residuals’ independence. To forecast AMD for 10 future years, this model showed the ability of the model to predict floods of the river under study in the Karkheh River Basin. Model accuracy was checked by comparing the predicted and observation series by using coefficient of determination (R2).

Keywords: Time series modelling, stochastic processes, ARIMA model, Karkheh River.

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145 Foundation Retrofitting of Storage Tank under Seismic Load

Authors: Seyed Abolhasan Naeini, Mohammad Hossein Zade, E. Izadi, M. Hossein Zade

Abstract:

The different seismic behavior of liquid storage tanks rather than conventional structures makes their responses more complicated. Uplifting and excessive settlement due to liquid sloshing are the most frequent damages in cylindrical liquid tanks after shell bucking failure modes. As a matter of fact, uses of liquid storage tanks because of the simple construction on compact layer of soil as a foundation are very conventional, but in some cases need to retrofit are essential. The tank seismic behavior can be improved by modifying dynamic characteristic of tank with verifying seismic loads as well as retrofitting and improving base ground. This paper focuses on a typical steel tank on loose, medium and stiff sandy soil and describes an evaluation of displacement of the tank before and after retrofitting. The Abaqus program was selected for its ability to include shell and structural steel elements, soil-structure interaction, and geometrical nonlinearities and contact type elements. The result shows considerable decreasing in settlement and uplifting in the case of retrofitted tank. Also, by increasing shear strength parameter of soil, the performance of the liquid storage tank under the case of seismic load increased.

Keywords: Steel tank, soil-structure, sandy soil, seismic load.

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144 A Study on Explicitation Strategies Employed in Persian Subtitling of English Crime Movies

Authors: Hossein Heidari Tabrizi, Azizeh Chalak, Hossein Enayat

Abstract:

The present study seeks to investigate the application of expansion strategy in Persian subtitles of English crime movies. More precisely, this study aims at classifying the different types of expansion used in subtitles as well as investigating the appropriateness or inappropriateness of the application of each type. To achieve this end, three movies; namely, The Net (1995), Contact (1997) and Mission Impossible 2 (2000), available with Persian subtitles, were selected for the study. To collect the data, the above mentioned movies were watched and those parts of the Persian subtitles in which expansion had been used were identified and extracted along with their English dialogs. Then, the extracted Persian subtitles were classified based on the reason that led to expansion in each case. Next, the appropriateness or inappropriateness of using expansion in the extracted Persian subtitles was descriptively investigated. Finally, an equivalent not containing any expansion was proposed for those cases in which the meaning could be fully transferred without this strategy. The findings of the study indicated that the reasons range from explicitation (explicitation of visual, co-textual and contextual information), mistranslation and paraphrasing to the preferences of subtitlers. Furthermore, it was found that the employment of expansion strategy was inappropriate in all cases except for those caused by explicitation of contextual information since correct and shorter equivalents which were equally capable of conveying the intended meaning could be posited for the original dialogs.

Keywords: Audiovisual translation, English crime movies, expansion strategies, Persian subtitles.

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143 Free Vibration Analysis of Functionally Graded Beams

Authors: Gholam Reza Koochaki

Abstract:

This work presents the highly accurate numerical calculation of the natural frequencies for functionally graded beams with simply supported boundary conditions. The Timoshenko first order shear deformation beam theory and the higher order shear deformation beam theory of Reddy have been applied to the functionally graded beams analysis. The material property gradient is assumed to be in the thickness direction. The Hamilton-s principle is utilized to obtain the dynamic equations of functionally graded beams. The influences of the volume fraction index and thickness-to-length ratio on the fundamental frequencies are discussed. Comparison of the numerical results for the homogeneous beam with Euler-Bernoulli beam theory results show that the derived model is satisfactory.

Keywords: Functionally graded beam, Free vibration, Hamilton's principle.

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142 Study of Aluminum, Copper and Molybdenum Pollution in Groundwater Sources Surrounding (Miduk) Shahr-E- Babak Copper Complex Tailings Dam

Authors: Maryam Kargar, Neamatolah Khorasani, Mahmoud Karami, Gholam-Reza Rafiee, Reza Naseh

Abstract:

Interpolated contour maps drawn for aluminum, copper and molybdenum in downstream monitoring boreholes of water dam in Miduk Copper Complex and the values of pH, redox potential (Eh) and distance from water dam indicate different trends of variation and behavior of these three elements in downward groundwater resources. As these maps exhibit, aluminum is dominant in the most alkaline (pH = 9-11) borehole (MB5) to water dam. The highest concentration of molybdenum is found in the nearest borehole (MB6) to water dam. Main concentration of copper is observed in the most oxidized borehole (MB3 with Eh=293.2mV). The spatial difference among sampling stations can be attributed to the existence of faults and diaclases in the geologic structure of Miduk region which causes the groundwater sampling sites to be impressed by different contamination sources (toe seepage and upper seepage water originated from different zones of tailings dump).

Keywords: Contour maps, Monitoring borehole, Toe seepage, Upper seepage.

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141 Roundabout Optimal Entry and Circulating Flow Induced by Road Hump

Authors: Amir Hossein Pakshir, A. Hossein Pour, N. Jahandar, Ali Paydar

Abstract:

Roundabout work on the principle of circulation and entry flows, where the maximum entry flow rates depend largely on circulating flow bearing in mind that entry flows must give away to circulating flows. Where an existing roundabout has a road hump installed at the entry arm, it can be hypothesized that the kinematics of vehicles may prevent the entry arm from achieving optimum performance. Road humps are traffic calming devices placed across road width solely as speed reduction mechanism. They are the preferred traffic calming option in Malaysia and often used on single and dual carriageway local routes. The speed limit on local routes is 30mph (50 km/hr). Road humps in their various forms achieved the biggest mean speed reduction (based on a mean speed before traffic calming of 30mph) of up to 10mph or 16 km/hr according to the UK Department of Transport. The underlying aim of reduced speed should be to achieve a 'safe' distribution of speeds which reflects the function of the road and the impacts on the local community. Constraining safe distribution of speeds may lead to poor drivers timing and delayed reflex reaction that can probably cause accident. Previous studies on road hump impact have focused mainly on speed reduction, traffic volume, noise and vibrations, discomfort and delay from the use of road humps. The paper is aimed at optimal entry and circulating flow induced by road humps. Results show that roundabout entry and circulating flow perform better in circumstances where there is no road hump at entrance.

Keywords: Road hump, Roundabout, Speed Reduction

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140 Grading and Sequencing Tasks in Task-Based Syllabus: A Critical Look at Criterion Selection

Authors: Hossein Ahmadi, Ogholgol Nazari

Abstract:

The necessity of grading and sequencing tasks has led to the development of different criteria in this regard. However, appropriateness of these criteria in different situations is less discussed. This paper attempts to shed more light on the priority of different criteria in relation with different factors including learners, teachers, educational, and cultural factors.

Keywords: Criteria, Grading, Sequencing, Language learning tasks.

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139 HClO4-SiO2 Nanoparticles as an Efficient Catalyst for Three-Component Synthesis of Triazolo[1,2-a]Indazole- Triones

Authors: Hossein Anaraki-Ardakani, Tayebe Heidari-Rakati

Abstract:

An environmentally benign protocol for the one-pot, three-component synthesis of Triazolo[1,2-a]indazole-1,3,8-trione derivatives by condensation of dimedone, urazole and aromatic aldehydes catalyzed by HClO4/SiO2 NPS as an ecofriendly catalyst with high catalytic activity and reusability at 100ºC under solventfree conditions is reported. The reaction proceeds to completion within 20-30 min in 77-86% yield.

Keywords: One-pot reaction, Dimedone, Triazoloindazole, Urazole.

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138 Improvement of Energy Efficiency using Porous Fins in Heat Exchangers

Authors: Hadi Niknami Esfahani , Hossein Shokouhmand, Fahim Faraji

Abstract:

The forced convection heat transfer in high porosity metal-foam filled tube heat exchangers are studied in this paper. The Brinkman Darcy momentum model and two energy equations for both solid and fluid phases in porous media are employed .The study shows that using metal-foams can significantly improve the heat transfer in heat exchangers.

Keywords: Metal foam, Nusselt number, heat exchanger, heat flux.

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137 Grey Prediction Based Handoff Algorithm

Authors: Seyed Saeed Changiz Rezaei, Babak Hossein Khalaj

Abstract:

As the demand for higher capacity in a cellular environment increases, the cell size decreases. This fact makes the role of suitable handoff algorithms to reduce both number of handoffs and handoff delay more important. In this paper we show that applying the grey prediction technique for handoff leads to considerable decrease in handoff delay with using a small number of handoffs, compared with traditional hystersis based handoff algorithms.

Keywords: Cellular network, Grey prediction, Handoff.

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136 Project Risk Management Techniques in Resource Allocation, Scheduling and Planning

Authors: Hossein Amoozad Khalili, Anahita Maleki

Abstract:

Normally business changes are made in order to change a level of activity in some way, whether it is sales, cash flow, productivity, or product portfolio. When attempts are made to make such changes, too often the business reverts to the old levels of activity as soon as management attention is diverted. Risk management is a field of growing interest to project managers as well as in general business and organizational management. There are several approaches used to manage risk in projects and this paper is a brief outline of some that you might encounter, with an indication of their strengths and weaknesses.

Keywords: Risk Management, Project Management, Scheduling, Planning

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135 A Study of Methods for Preservation of River Banks in order to Reduce Sediments

Authors: Emad Hazbkhah. Abdolreza Zahiri, Hossein Ghorbanizade Kharazi

Abstract:

Reducing river sediments through path correction and preservation of river walls leads to considerable reduction of sedimentation at the pumping stations. Path correction and preservation of walls is not limited to one particular method but, depending on various conditions, a combination of several methods can be employed. In this article, we try to review and evaluate methods for preservation of river banks in order to reduce sediments.

Keywords: Erosion , River Banks , Sediments

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134 Zero Divisor Graph of a Poset with Respect to Primal Ideals

Authors: Hossein Pourali

Abstract:

In this paper, we extend the concepts of primal and weakly primal ideals for posets. Further, the diameter of the zero divisor graph of a poset with respect to a non-primal ideal is determined. The relation between primary and primal ideals in posets is also studied.

Keywords: Zero divisors graph, ideal, prime ideal, semiprime ideal, primal ideal, weakly primal ideal, associated prime ideal, primary ideal.

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133 A Blind Digital Watermark in Hadamard Domain

Authors: Saeid Saryazdi, Hossein Nezamabadi-pour

Abstract:

A new blind gray-level watermarking scheme is described. In the proposed method, the host image is first divided into 4*4 non-overlapping blocks. For each block, two first AC coefficients of its Hadamard transform are then estimated using DC coefficients of its neighbor blocks. A gray-level watermark is then added into estimated values. Since embedding watermark does not change the DC coefficients, watermark extracting could be done by estimating AC coefficients and comparing them with their actual values. Several experiments are made and results suggest the robustness of the proposed algorithm.

Keywords: Digital Watermarking, Image watermarking, Information Hiden, Steganography.

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132 Backplane Serial Signaling and Protocol for Telecom Systems

Authors: Ali Poureslami, Hossein Borhanifar, Seyed Ali Alavian

Abstract:

In this paper, we implement a modern serial backplane platform for telecommunication inter-rack systems. For combination high reliability and low cost protocol property, we applied high level data link control (HDLC) protocol with low voltage differential signaling (LVDS) bus for card to card communicated over backplane. HDLC protocol is a high performance with several operation modes and is famous in telecommunication systems. LVDS bus is a high reliability with high immunity against electromagnetic interference (EMI) and noise.

Keywords: Backplane, BLVDS, HDLC, EMI, I2C, LCT, OSC, SFP, SNMP.

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131 Simulated Annealing Application for Structural Optimization

Authors: Farhad Kolahan, M. Hossein Abolbashari, Samaeddin Mohitzadeh

Abstract:

Several methods are available for weight and shape optimization of structures, among which Evolutionary Structural Optimization (ESO) is one of the most widely used methods. In ESO, however, the optimization criterion is completely case-dependent. Moreover, only the improving solutions are accepted during the search. In this paper a Simulated Annealing (SA) algorithm is used for structural optimization problem. This algorithm differs from other random search methods by accepting non-improving solutions. The implementation of SA algorithm is done through reducing the number of finite element analyses (function evaluations). Computational results show that SA can efficiently and effectively solve such optimization problems within short search time.

Keywords: Simulated annealing, Structural optimization, Compliance, C.V. product.

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130 Artemisia Species from Iran as Valuable Resources for Medicinal Uses

Authors: Mohammad Reza Naghavi, Farzad Alaeimoghadam, Hossein Ghafoori

Abstract:

Artemisia species, which are medically beneficial, are widespread in temperate regions of both Northern and Southern hemispheres among which Iran is located. About 35 species of Artemisia are indigenous in Iran among them some are widespread in all or most provinces, yet some are restricted to some specific regions. In this review paper, initially, GC-Mass results of some experiments done in different provinces of Iran are mentioned among them some compounds are common among species, some others are mostly restricted to other species; after that, medical advantages based on some researches on species of this genus are reviewed; different qualities such as anti-leishmania, anti-bacteria, antiviral as well as anti-proliferative could be mentioned.

Keywords: Artemisia, GC-Mass analysis, medical advantage.

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129 A Parallel Quadtree Approach for Image Compression using Wavelets

Authors: Hamed Vahdat Nejad, Hossein Deldari

Abstract:

Wavelet transforms are multiresolution decompositions that can be used to analyze signals and images. Image compression is one of major applications of wavelet transforms in image processing. It is considered as one of the most powerful methods that provides a high compression ratio. However, its implementation is very time-consuming. At the other hand, parallel computing technologies are an efficient method for image compression using wavelets. In this paper, we propose a parallel wavelet compression algorithm based on quadtrees. We implement the algorithm using MatlabMPI (a parallel, message passing version of Matlab), and compute its isoefficiency function, and show that it is scalable. Our experimental results confirm the efficiency of the algorithm also.

Keywords: Image compression, MPI, Parallel computing, Wavelets.

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128 A Low-Voltage Tunable Channel Selection Filter for WiMAX Applications

Authors: Kayvan Ahmadi, Hossein Shamsi

Abstract:

This paper proposes a low-voltage and low-power fully integrated digitally tuned continuous-time channel selection filter for WiMAX applications. A 5th-order elliptic low-pass filter is realized in a Gm-C topology. The bandwidth of the fully differential filter is reconfigurable from 2.5MHz to 20MHz (8x) for different requirements in WiMAX applications. The filter is simulated in a standard 90nm CMOS process. Simulation results show the THD (@Vout =100mVpp) is less than -66dB. The in-band ripple of the filter is about 0.15dB. The filter consumes 1.5mW from a supply voltage of 0.9V.

Keywords: Common-mode feedback, continuous-time, fully differential transconductor, Gm-C topology, low-voltage

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127 A Joint Routing-Scheduling Approach for Throughput Optimization in WMNs

Authors: Hossein Nourkhiz Mahjoub, Mohsen Shiva

Abstract:

Wireless Mesh Networking is a promising proposal for broadband data transmission in a large area with low cost and acceptable QoS. These features- trade offs in WMNs is a hot research field nowadays. In this paper a mathematical optimization framework has been developed to maximize throughput according to upper bound delay constraints. IEEE 802.11 based infrastructure backhauling mode of WMNs has been considered to formulate the MINLP optimization problem. Proposed method gives the full routing and scheduling procedure in WMN in order to obtain mentioned goals.

Keywords: Mixed-Integer Non Linear Programming (MINLP), routing and scheduling, throughput, wireless mesh networks (WMNs)

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126 A Robust Redundant Residue Representation in Residue Number System with Moduli Set(rn-2,rn-1,rn)

Authors: Hossein Khademolhosseini, Mehdi Hosseinzadeh

Abstract:

The residue number system (RNS), due to its properties, is used in applications in which high performance computation is needed. The carry free nature, which makes the arithmetic, carry bounded as well as the paralleling facility is the reason of its capability of high speed rendering. Since carry is not propagated between the moduli in this system, the performance is only restricted by the speed of the operations in each modulus. In this paper a novel method of number representation by use of redundancy is suggested in which {rn- 2,rn-1,rn} is the reference moduli set where r=2k+1 and k =1, 2,3,.. This method achieves fast computations and conversions and makes the circuits of them much simpler.

Keywords: Binary to RNS converter, Carry save adder, Computer arithmetic, Residue number system.

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125 Density Functional Calculations of 27Al, 11B,and 14N and NQR Parameters in the (6, 0) BN_AlN Nanotube Junction

Authors: Morteza Farahani, Ahmad Seif, Asadallah Boshra, Hossein Aghaie

Abstract:

Density functional theory (DFT) calculations were performed to calculate aluminum-27, boron-11, and nitrogen-14 quadrupole coupling constant (CQ) in the representative considered model of (6, 0) boron nitride-aluminum nitride nanotube junction (BN-AlNNT) for the first time. To this aim, 1.3 nm length of BNAlN consisting of 18 Al, 18 B, and 36 N atoms was selected where the end atoms capped by hydrogen atoms. The calculated CQ values for optimized BN-AlNNT system reveal different electrostatic environment in the mentioned system. The calculations were performed using the Gaussian 98 package of program.

Keywords: Nanotube Junction, Density functional, Nuclear Quadrupole Resonance.

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