Search results for: design and analysis of algorithms
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 13046

Search results for: design and analysis of algorithms

4046 Ray Tracing Modified 3D Image Method Simulation of Picocellular Propagation Channel Environment

Authors: F. Alwafie

Abstract:

In this paper, we present the simulation of the propagation characteristics of the picocellular propagation channel environment. The first aim has been to find a correct description of the environment for received wave.

The result of the first investigations is that the environment of the indoor wave significantly changes as we change the electric parameters of material constructions. A modified 3D ray tracing image method tool has been utilized for the coverage prediction. A detailed analysis of the dependence of the indoor wave on the wideband characteristics of the channel: root mean square (RMS) delay spread characteristics and Mean excess delay, is also investigated.

Keywords: Propagation, Ray Tracing.

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4045 Investigation of Relationship between Organizational Climate and Organizational Citizenship Behavior: A Research on Health Sector

Authors: Serdar Öge, Pınar Erdogan

Abstract:

The main objective of this research is to describe the relationship between organizational climate and organizational citizenship behavior. In order to examine this relationship, a research is intended to be carried out in relevant institutions and organizations operating in the health sector in Turkey. It will be researched that whether there is a statistically significant relationship between organizational climate and organizational citizenship behavior through elated scientific research methods and statistical analysis. In addition, relationships between the dimensions of organizational climate and organizational citizenship behavior subscales will be questioned statistically.

Keywords: Organizational climate, organizational citizenship, organizational citizenship behavior, climate.

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4044 An Improved Phenomenological Model for Polymer Desorption

Authors: Joanna Sooknanan, Donna Comissiong

Abstract:

We propose a phenomenological model for the process of polymer desorption. In so doing, we omit the usual theoretical approach of incorporating a fictitious viscoelastic stress term into the flux equation. As a result, we obtain a model that captures the essence of the phenomenon of trapping skinning, while preserving the integrity of the experimentally verified Fickian law for diffusion. An appropriate asymptotic analysis is carried out, and a parameter is introduced to represent the speed of the desorption front. Numerical simulations are performed to illustrate the desorption dynamics of the model. Recommendations are made for future modifications of the model, and provisions are made for the inclusion of experimentally determined frontal speeds.

Keywords: Phenomenological Model, Polymer, Desorption, Trapping Skinning

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4043 Liberation as a Method for Monument Valorisation: The Case of the Defence Heritage Restoration

Authors: Donatella R. Fiorino, Marzia Loddo

Abstract:

The practice of freeing monuments from subsequent additions crosses the entire history of conservation and it is traditionally connected to the aim of valorisation, both for cultural and educational purpose and recently even for touristic exploitation. Defence heritage has been widely interested by these cultural and technical moods from philological restoration to critic innovations. A renovated critical analysis of Italian episodes and in particular the Sardinian case of the area of San Pancrazio in Cagliari, constitute an important lesson about the limits of this practice and the uncertainty in terms of results, towards the definition of a sustainable good practice in the restoration of military architectures.

Keywords: Defensive architecture, Liberation, Valorisation for tourism, Historical restoration.

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4042 Study the Behavior of Different Composite Short Columns (DST) with Prismatic Sections under Bending Load

Authors: V. Sadeghi Balkanlou, M. Reza Bagerzadeh Karimi, A. Hasanbakloo, B. Bagheri Azar

Abstract:

In this paper, the behavior of different types of DST columns has been studied under bending load. Briefly, composite columns consist of an internal carbon steel tube and an external stainless steel wall that the between the walls are filled with concrete. Composite columns are expected to combine the advantages of all three materials and have the advantage of high flexural stiffness of CFDST columns. In this research, ABAQUS software is used for finite element analysis then the results of ultimate strength of the composite sections are illustrated.

Keywords: DST, Stainless steel, carbon steel, ABAQUS, Straigh Columns, Tapered Columns.

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4041 Representing Data without Lost Compression Properties in Time Series: A Review

Authors: Nabilah Filzah Mohd Radzuan, Zalinda Othman, Azuraliza Abu Bakar, Abdul Razak Hamdan

Abstract:

Uncertain data is believed to be an important issue in building up a prediction model. The main objective in the time series uncertainty analysis is to formulate uncertain data in order to gain knowledge and fit low dimensional model prior to a prediction task. This paper discusses the performance of a number of techniques in dealing with uncertain data specifically those which solve uncertain data condition by minimizing the loss of compression properties.

Keywords: Compression properties, uncertainty, uncertain time series, mining technique, weather prediction.

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4040 Automatic Intelligent Analysis of Malware Behaviour

Authors: H. Dornhackl, K. Kadletz, R. Luh, P. Tavolato

Abstract:

In this paper, we describe the use of formal methods to model malware behaviour. The modelling of harmful behaviour rests upon syntactic structures that represent malicious procedures inside malware. The malicious activities are modelled by a formal grammar, where API calls’ components are the terminals and the set of API calls used in combination to achieve a goal are designated non-terminals. The combination of different non-terminals in various ways and tiers make up the attack vectors that are used by harmful software. Based on these syntactic structures a parser can be generated which takes execution traces as input for pattern recognition.

Keywords: Malware behaviour, modelling, parsing, search, pattern matching.

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4039 Are XBRL-based Financial Reports Better than Non-XBRL Reports? A Quality Assessment

Authors: Zhenkun Wang, Simon S. Gao

Abstract:

Using a scoring system, this paper provides a comparative assessment of the quality of data between XBRL formatted financial reports and non-XBRL financial reports. It shows a major improvement in the quality of data of XBRL formatted financial reports. Although XBRL formatted financial reports do not show much advantage in the quality at the beginning, XBRL financial reports lately display a large improvement in the quality of data in almost all aspects. With the improved XBRL web data managing, presentation and analysis applications, XBRL formatted financial reports have a much better accessibility, are more accurate and better in timeliness.

Keywords: Data Quality; Financial Report; Information; XBRL

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4038 Effect of Band Contact on the Temperature Distribution for Dry Friction Clutch

Authors: Oday I. Abdullah, J. Schlattmann

Abstract:

In this study, the two dimensional heat conduction problem for the dry friction clutch disc is modeled mathematically analysis and is solved numerically using finite element method, to determine the temperature field when band contacts occurs between the rubbing surfaces during the operation of an automotive clutch. Temperature calculation have been made for contact area of different band width and the results obtained compared with these attained when complete contact occurs. Furthermore, the effects of slipping time and sliding velocity function are investigated as well. Both single and repeated engagements made at regular interval are considered.

Keywords: Band contact, dry friction clutch, frictional heating, temperature field, 2D FEM.

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4037 Mobility Analysis of the Population of Rabat-Salé-Zemmour-Zaer

Authors: F. Ghaiti

Abstract:

In this paper, we present the 2006 survey study origin destination and price that we carried out during 2006 fall in the area in the Moroccan region of Rabat-Salé-Zemmour-Zaer. The survey concerns the people-s characteristics, their displacements behavior and the price that they will be able to pay for a tramway ticket. The main objective is to study a set of relative features to the households and to their displacement's habits and to their choices among public and privet transport modes. A comparison between this survey results and that of the 1996's is made. A pricing scheme is also given according to the tram capacity. (The Rabat-Salé tramway is under construction right now and it will be operational beginning 2010).

Keywords: Matrix O/D, Theory of pricing, Urban transport survey.

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4036 Analysis on Fun Elements of the SNG in ANIPANG

Authors: Jangwon Lee, Joonsung Yoon

Abstract:

This study analyzes on the Social Network Game (SNG), ANIPANG, in order to discover its unique fun elements, so that suggest new methodologies for development of SNGs. ANIPANG is the most popular SNG in the South Korea on 2012. Recently, the game industry is paying close attention to mobile-based SNGs due to the rapid prevalence of smart-phones and social network services. However, SNGs are not online games simply. Although the fun of most online games is the victory through competition with other players or the game system, the fun of SNG is the communication through the collaboration with other players. Thus, features of users and environments of game should be considered for the game industry and for the fun of SNG to users.

Keywords: Social Network Game, Casual user, Fun, ANIPANG.

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4035 Research Analysis in Eclectic Theory (Kaboudan and Sfandiar)

Authors: Farideh Alizadeh, Mohd Nasir Hashim

Abstract:

Present research investigates eclecticism in Iranian theatre on the basis of eclectic theory. Eclectic theatre is a new theory in postmodernism. The theory appeared during 60th – 70th century in some theatres such as “Conference of the Birds”. Special theatrical forms have been developed in many geographical- cultural areas of the world and are indigenous to that area. These forms, as compared with original forms, are considered to be traditional while being comprehensive, the form is considered to be national. Kaboudan and Sfandiar theatre has been influenced by elements of traditional form of Iran.

Keywords: Eclectic theatre, theatrical forms, tradition, play.

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4034 Application of Pulse Doubling in Star-Connected Autotransformer Based 12-Pulse AC-DC Converter for Power Quality Improvement

Authors: Rohollah. Abdollahi, Alireza. Jalilian

Abstract:

This paper presents a pulse doubling technique in a 12-pulse ac-dc converter which supplies direct torque controlled motor drives (DTCIMD-s) in order to have better power quality conditions at the point of common coupling. The proposed technique increases the number of rectification pulses without significant changes in the installations and yields in harmonic reduction in both ac and dc sides. The 12-pulse rectified output voltage is accomplished via two paralleled six-pulse ac-dc converters each of them consisting of three-phase diode bridge rectifier. An autotransformer is designed to supply the rectifiers. The design procedure of magnetics is in a way such that makes it suitable for retrofit applications where a six-pulse diode bridge rectifier is being utilized. Independent operation of paralleled diode-bridge rectifiers, i.e. dc-ripple re-injection methodology, requires a Zero Sequence Blocking Transformer (ZSBT). Finally, a tapped interphase reactor is connected at the output of ZSBT to double the pulse numbers of output voltage up to 24 pulses. The aforementioned structure improves power quality criteria at ac mains and makes them consistent with the IEEE-519 standard requirements for varying loads. Furthermore, near unity power factor is obtained for a wide range of DTCIMD operation. A comparison is made between 6- pulse, 12-pulse, and proposed converters from view point of power quality indices. Results show that input current total harmonic distortion (THD) is less than 5% for the proposed topology at various loads.

Keywords: AC–DC converter, star-connected autotransformer, power quality, 24 pulse rectifier, Pulse Doubling, direct torquecontrolled induction motor drive (DTCIMD).

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4033 Social and Economic Effects of Mining Industry Restructuring in Romania -Case Studies

Authors: Andra Costache, Gica Pehoiu

Abstract:

As in other countries from Central and Eastern Europe, the economic restructuring occurred in the last decade of the twentieth century affected the mining industry in Romania, an oversize and heavily subsidized sector before 1989. After more than a decade since the beginning of mining restructuring, an evaluation of current social implications of the process it is required, together with an efficiency analysis of the adaptation mechanisms developed at governmental level. This article aims to provide an insight into these issues through case studies conducted in the most important coal basin of Romania, Petroşani Depression.

Keywords: case studies, government programs, miningrestructuring, social effects.

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4032 Learning Difficulties of Children with Disabilities

Authors: Chalise Kiran

Abstract:

The learning difficulties of children with disabilities are always a matter of concern when we talk about educational needs and quality education of children with disabilities. This paper is the outcome of the review of the literature focused on the educational needs and learning difficulties of children with disabilities. For the paper, different studies written on children with disabilities and their education were collected through search engines. The literature put together were analyzed from the angle of learning difficulties faced by children with disabilities and the same were used as a precursor to arrive at the findings on the learning of the children. The analysis showed that children with disabilities face learning difficulties. The reasons for these difficulties could be attributed to factors in terms of authority, structure, school environment and behaviors of teachers and parents and the society as a whole.

Keywords: Children with disabilities, learning difficulties, education of children with disabilities, disabled children.

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4031 Travel Time Evaluation of an Innovative U-Turn Facility on Urban Arterial Roadways

Authors: Ali Pirdavani, Tom Brijs, Tom Bellemans, Geert Wets, Koen Vanhoof

Abstract:

Signalized intersections on high-volume arterials are often congested during peak hours, causing a decrease in through movement efficiency on the arterial. Much of the vehicle delay incurred at conventional intersections is caused by high left-turn demand. Unconventional intersection designs attempt to reduce intersection delay and travel time by rerouting left-turns away from the main intersection and replacing it with right-turn followed by Uturn. The proposed new type of U-turn intersection is geometrically designed with a raised island which provides a protected U-turn movement. In this study several scenarios based on different distances between U-turn and main intersection, traffic volume of major/minor approaches and percentage of left-turn volumes were simulated by use of AIMSUN, a type of traffic microsimulation software. Subsequently some models are proposed in order to compute travel time of each movement. Eventually by correlating these equations to some in-field collected data of some implemented U-turn facilities, the reliability of the proposed models are approved. With these models it would be possible to calculate travel time of each movement under any kind of geometric and traffic condition. By comparing travel time of a conventional signalized intersection with U-turn intersection travel time, it would be possible to decide on converting signalized intersections into this new kind of U-turn facility or not. However comparison of travel time is not part of the scope of this research. In this paper only travel time of this innovative U-turn facility would be predicted. According to some before and after study about the traffic performance of some executed U-turn facilities, it is found that commonly, this new type of U-turn facility produces lower travel time. Thus, evaluation of using this type of unconventional intersection should be seriously considered.

Keywords: Innovative U-turn facility, Microsimulation, Traveltime, Unconventional intersection design.

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4030 Influence of Sports Participation on Academic Performance among Afe Babalola University Student-Athletes

Authors: B. O. Diyaolu

Abstract:

The web created by sport in academics has made it difficult for it to be separated from adolescent educational development. The enthusiasm expressed towards sport by students in higher institutions is quite enormous. Primarily, academic performance should be the pride of all students but whether sports affect the academic performance of student-athletes remain an unknown fact. This study investigated the influence of sports participation on academic performance among Afe Babalola University student-athletes. Ex post facto research design was used. Two groups of students were used for the study; Student-athlete (SA) and Regular Students (RS). Purposive sampling technique was used to select 224 student-athletes, only those that are regular in the university sports team training were considered and their records (i.e. name, department, level, matriculation number, and phone number) were collected through the assistance of their coaches. For the regular students, purposive sampling technique was used to select 224 participants, only those that have no interest in sports were considered and their records were retrieved from the college registration officer. The first and second semester examination results of the two groups were compared in 10 general study courses without their knowledge, using descriptive statistics of frequency counts, mean, and standard deviation. Out of the 10 compared courses, 7 courses result showed no significant difference between students-athlete and regular students while student-athletes perform better in 3 practically oriented courses. Sports role in academics is quite significant. Exposure to sports can help build the confidence that athletes need especially when it comes to practical courses. Student-athletes can perform better in academics if the environment is friendly and not intimidating. Lecturers and coaches need to work together in order to build a well cultured and intelligent graduate.

Keywords: Academic performance, regular students, sports participation, student-athlete, university sports team.

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4029 Ginzburg-Landau Model for Curved Two-Phase Shallow Mixing Layers

Authors: Irina Eglite, Andrei A. Kolyshkin

Abstract:

Method of multiple scales is used in the paper in order to derive an amplitude evolution equation for the most unstable mode from two-dimensional shallow water equations under the rigid-lid assumption. It is assumed that shallow mixing layer is slightly curved in the longitudinal direction and contains small particles. Dynamic interaction between carrier fluid and particles is neglected. It is shown that the evolution equation is the complex Ginzburg-Landau equation. Explicit formulas for the computation of the coefficients of the equation are obtained.

Keywords: Shallow water equations, mixing layer, weakly nonlinear analysis, Ginzburg-Landau equation

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4028 Thermoelastic Damping of Inextensional Hemispherical Shell

Authors: S. Y. Choi, Y. H. Na, J. H. Kim

Abstract:

In this work, thermoelastic damping effect on the hemi- spherical shells is investigated. The material is selected silicon, and heat conduction equation for thermal flow is solved to obtain the temperature profile in which bending approximation with inextensional assumption of the model. Using the temperature profile, eigen-value analysis is performed to get the natural frequencies of hemispherical shells. Effects of mode numbers, radii and radial thicknesses of the model on the natural frequencies are analyzed in detail. Furthermore, the quality factor (Q-factor) is defined, and discussed for the ring and hemispherical shell.

Keywords: Thermoelastic damping, hemispherical shell, quality factor

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4027 Gamification as a Tool for Influencing Customers' Behaviour

Authors: B. Zatwarnicka-Madura

Abstract:

The objective of the article was to identify the impacts of gamification on customers' behaviour. The most important applications of games in marketing and mechanisms of gamification are presented in the article. A detailed analysis of the influence of gamification on customers using two brands, Foursquare and Nike, was also presented. Research studies using auditory survey methods were carried out among 176 young respondents, who are potential targets of gamification. The studies confirmed a huge participation of young people in customer loyalty programs with relatively low participation in other gamificationbased marketing activities. The research findings clearly indicate that gamification mechanisms are the most attractive.

Keywords: Customer loyalty, games, gamification, social aspects.

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4026 Synthesis of the Robust Regulators on the Basis of the Criterion of the Maximum Stability Degree

Authors: S. A. Gayvoronsky, T. A. Ezangina

Abstract:

The robust control system objects with interval- undermined parameters is considers in this paper. Initial information about the system is its characteristic polynomial with interval coefficients. On the basis of coefficient estimations of quality indices and criterion of the maximum stability degree, the methods of synthesis of a robust regulator parametric is developed. The example of the robust stabilization system synthesis of the rope tension is given in this article.

Keywords: An interval polynomial, controller synthesis, analysis of quality factors, maximum degree of stability, robust degree of stability, robust oscillation, system accuracy.

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4025 Classification of Germinatable Mung Bean by Near Infrared Hyperspectral Imaging

Authors: Kaewkarn Phuangsombat, Arthit Phuangsombat, Anupun Terdwongworakul

Abstract:

Hard seeds will not grow and can cause mold in sprouting process. Thus, the hard seeds need to be separated from the normal seeds. Near infrared hyperspectral imaging in a range of 900 to 1700 nm was implemented to develop a model by partial least squares discriminant analysis to discriminate the hard seeds from the normal seeds. The orientation of the seeds was also studied to compare the performance of the models. The model based on hilum-up orientation achieved the best result giving the coefficient of determination of 0.98, and root mean square error of prediction of 0.07 with classification accuracy was equal to 100%.

Keywords: Mung bean, near infrared, germinatability, hard seed.

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4024 Measuring the Efficiency of Medical Equipment

Authors: Panagiotis H. Tsarouhas

Abstract:

the reliability analysis of the medical equipments can help to increase the availability and the efficiency of the systems. In this manuscript we present a simple method of decomposition that could be easily applied on the complex medical systems. Using this method we can easily calculate the effect of the subsystems or components on the reliability of the overall system. Furthermore, to investigate the effect of subsystems or components on system performance, we perform a numerical study varying every time the worst reliability of subsystem or component with another which has higher reliability. It can also be useful to engineers and designers of medical equipment, who wishes to optimize the complex systems.

Keywords: Reliability, Availability, Series-parallel System, medical equipment.

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4023 Optimal Assessment of Faulted Area around an Industrial Customer for Critical Sag Magnitudes

Authors: Marios N. Moschakis

Abstract:

This paper deals with the assessment of faulted area around an industrial customer connected to a particular electric grid that will cause a certain sag magnitude on this customer. The faulted (critical or exposed) area’s length is calculated by adding all line lengths in the neighborhood of the critical node (customer). The applied method is the so-called Method of Critical Distances. By using advanced short-circuit analysis, the Critical Area can be accurately calculated for radial and meshed power networks due to all symmetrical and asymmetrical faults. For the demonstration of the effectiveness of the proposed methodology, a study case is used.

Keywords: Critical area, fault-induced voltage sags, industrial customers, power quality.

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4022 Design and Validation of an Aerodynamic Model of the Cessna Citation X Horizontal Stabilizer Using both OpenVSP and Digital Datcom

Authors: Marine Segui, Matthieu Mantilla, Ruxandra Mihaela Botez

Abstract:

This research is the part of a major project at the Research Laboratory in Active Controls, Avionics and Aeroservoelasticity (LARCASE) aiming to improve a Cessna Citation X aircraft cruise performance with an application of the morphing wing technology on its horizontal tail. However, the horizontal stabilizer of the Cessna Citation X turns around its span axis with an angle between -8 and 2 degrees. Within this range, the horizontal stabilizer generates certainly some unwanted drag. To cancel this drag, the LARCASE proposes to trim the aircraft with a horizontal stabilizer equipped by a morphing wing technology. This technology aims to optimize aerodynamic performances by changing the conventional horizontal tail shape during the flight. As a consequence, this technology will be able to generate enough lift on the horizontal tail to balance the aircraft without an unwanted drag generation. To conduct this project, an accurate aerodynamic model of the horizontal tail is firstly required. This aerodynamic model will finally allow precise comparison between a conventional horizontal tail and a morphed horizontal tail results. This paper presents how this aerodynamic model was designed. In this way, it shows how the 2D geometry of the horizontal tail was collected and how the unknown airfoil’s shape of the horizontal tail has been recovered. Finally, the complete horizontal tail airfoil shape was found and a comparison between aerodynamic polar of the real horizontal tail and the horizontal tail found in this paper shows a maximum difference of 0.04 on the lift or the drag coefficient which is very good. Aerodynamic polar data of the aircraft horizontal tail are obtained from the CAE Inc. level D research aircraft flight simulator of the Cessna Citation X.

Keywords: Aerodynamic, Cessna, Citation X, coefficient, Datcom, drag, lift, longitudinal, model, OpenVSP.

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4021 Performance Analysis of Polycrystalline and Monocrystalline Solar Module in Dhaka, Bangladesh

Authors: N. J. Imu, N. Rabbani, Md E. Hossain

Abstract:

Achieving national climate goals requires transforming the energy system and increasing the use of renewable energy in Bangladesh as renewable energy offers an environmentally friendly energy supply. In view of this, Bangladesh has set a goal of 100% renewable power generation by 2050. Among all the renewable energy, solar is the most effective and popular source of renewable energy in Bangladesh. In order to build up on-grid and off-grid solar systems to increase energy transformation, monocrystalline type (highly efficient) solar module, and the polycrystalline type (low-efficient) solar module are commonly used. Due to their low price and availability, polycrystalline-type solar modules dominated the local market in the past years. However, in recent times the use of monocrystalline types modules has increased considerably owing to the significant decrease in price difference that existed between these two modules. Despite the deployment of both mono- and poly-crystalline modules in the market, the proliferation of low-quality solar panels are dominating the market resulting in reduced generation of solar electricity than expected. This situation is further aggravated by insufficient information regarding the effect of solar irradiation on solar module performance in relation to the quality of the materials used for the production of the module. This research aims to evaluate the efficiency of monocrystalline and polycrystalline solar modules that are available in Bangladesh by considering seasonal variations. Both types of solar modules have been tested for three different capacities 45W, 60W, and 100W in Dhaka regions to evaluate their power generation capability under Standard Test Conditions (STC). Module testing data were recorded twelve months in a full year from January to December. Data for solar irradiation were collected using HT304N while HT I-V400 multifunction instrument was used for testing voltage and current of photovoltaic (PV) systems and complete power quality analyzer. Results obtained in this study indicated differences between the efficiencies of polycrystalline and monocrystalline solar modules under the country’s solar irradiation. The average efficiencies of 45W, 60W, and 100W monocrystalline solar panels were recorded as 11.73%, 13.41%, and 15.37% respectively while for polycrystalline panels were 8.66%, 9.37%, and 12.34%. Monocrystalline solar panels, which offer greater working output than polycrystalline ones, are also represented by the Pearson Correlation value. The output of polycrystalline solar panels fluctuated highly with the changes in irradiation and temperature whereas monocrystalline panels were much stable.

Keywords: Solar energy, solar irradiation, efficiency, polycrystalline solar module, monocrystalline solar module, SPSS analysis.

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4020 Determining Occurrence in FMEA Using Hazard Function

Authors: Hazem J. Smadi

Abstract:

FMEA has been used for several years and proved its efficiency for system’s risk analysis due to failures. Risk priority number found in FMEA is used to rank failure modes that may occur in a system. There are some guidelines in the literature to assign the values of FMEA components known as Severity, Occurrence and Detection. This paper propose a method to assign the value for occurrence in more realistic manner representing the state of the system under study rather than depending totally on the experience of the analyst. This method uses the hazard function of a system to determine the value of occurrence depending on the behavior of the hazard being constant, increasing or decreasing.

Keywords: FMEA, Hazard Function, Risk Priority Number.

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4019 Electron Density Discrepancy Analysis of Energy Metabolism Coenzymes

Authors: Alan Luo, Hunter N. B. Moseley

Abstract:

Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.

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4018 Surface and Guided Waves in Composites with Nematic Coatings

Authors: Dmitry D. Zakharov

Abstract:

The theoretical prediction of the acoustical polarization effects in the heterogeneous composites, made of thick elastic solids with thin nematic films, is presented. The numericalanalytical solution to the problem of the different wave propagation exhibits some new physical effects in the low frequency domain: the appearance of the critical frequency and the existence of the narrow transition zone where the wave rapidly changes its speed. The associated wave attenuation is highly perturbed in this zone. We also show the possible appearance of the critical frequencies where the attenuation changes the sign. The numerical results of parametrical analysis are presented and discussed.

Keywords: Surface wave, guided wave, heterogeneous composite, nematic coating.

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4017 Neutronic Study of Two Reactor Cores Cooled with Light and Heavy Water Using Computation Method

Authors: Z. Gholamzadeh, A. Zali, S. A. H. Feghhi, C. Tenreiro, Y. Kadi, M. Rezazadeh, M. Aref

Abstract:

Most HWRs currently use natural uranium fuel. Using enriched uranium fuel results in a significant improvement in fuel cycle costs and uranium utilization. On the other hand, reactivity changes of HWRs over the full range of operating conditions from cold shutdown to full power are small. This reduces the required reactivity worth of control devices and minimizes local flux distribution perturbations, minimizing potential problems due to transient local overheating of fuel. Analyzing heavy water effectiveness on neutronic parameters such as enrichment requirements, peaking factor and reactivity is important and should pay attention as primary concepts of a HWR core designing. Two nuclear nuclear reactors of CANDU-type and hexagonal-type reactor cores of 33 fuel assemblies and 19 assemblies in 1.04 P/D have been respectively simulated using MCNP-4C code. Using heavy water and light water as moderator have been compared for achieving less reactivity insertion and enrichment requirements. Two fuel matrixes of (232Th/235U)O2 and (238/235U)O2 have been compared to achieve more economical and safe design. Heavy water not only decreased enrichment needs, but it concluded in negative reactivity insertions during moderator density variations. Thorium oxide fuel assemblies of 2.3% enrichment loaded into the core of heavy water moderator resulted in 0.751 fission to absorption ratio and peaking factor of 1.7 using. Heavy water not only provides negative reactivity insertion during temperature raises which changes moderator density but concluded in 2 to 10 kg reduction of enrichment requirements, depend on geometry type.

Keywords: MCNP-4C, Reactor core, Multiplication factor, Reactivity, Peaking factor.

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