Search results for: distribution of resources
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3044

Search results for: distribution of resources

2924 The Role of Velocity Map Quality in Estimation of Intravascular Pressure Distribution

Authors: Ali Pashaee, Parisa Shooshtari, Gholamreza Atae, Nasser Fatouraee

Abstract:

Phase-Contrast MR imaging methods are widely used for measurement of blood flow velocity components. Also there are some other tools such as CT and Ultrasound for velocity map detection in intravascular studies. These data are used in deriving flow characteristics. Some clinical applications are investigated which use pressure distribution in diagnosis of intravascular disorders such as vascular stenosis. In this paper an approach to the problem of measurement of intravascular pressure field by using velocity field obtained from flow images is proposed. The method presented in this paper uses an algorithm to calculate nonlinear equations of Navier- Stokes, assuming blood as an incompressible and Newtonian fluid. Flow images usually suffer the lack of spatial resolution. Our attempt is to consider the effect of spatial resolution on the pressure distribution estimated from this method. In order to achieve this aim, velocity map of a numerical phantom is derived at six different spatial resolutions. To determine the effects of vascular stenoses on pressure distribution, a stenotic phantom geometry is considered. A comparison between the pressure distribution obtained from the phantom and the pressure resulted from the algorithm is presented. In this regard we also compared the effects of collocated and staggered computational grids on the pressure distribution resulted from this algorithm.

Keywords: Flow imaging, pressure distribution estimation, phantom, resolution.

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2923 Pragati Node Popularity (PNP) Approach to Identify Congestion Hot Spots in MPLS

Authors: E. Ramaraj, A. Padmapriya

Abstract:

In large Internet backbones, Service Providers typically have to explicitly manage the traffic flows in order to optimize the use of network resources. This process is often referred to as Traffic Engineering (TE). Common objectives of traffic engineering include balance traffic distribution across the network and avoiding congestion hot spots. Raj P H and SVK Raja designed the Bayesian network approach to identify congestion hors pots in MPLS. In this approach for every node in the network the Conditional Probability Distribution (CPD) is specified. Based on the CPD the congestion hot spots are identified. Then the traffic can be distributed so that no link in the network is either over utilized or under utilized. Although the Bayesian network approach has been implemented in operational networks, it has a number of well known scaling issues. This paper proposes a new approach, which we call the Pragati (means Progress) Node Popularity (PNP) approach to identify the congestion hot spots with the network topology alone. In the new Pragati Node Popularity approach, IP routing runs natively over the physical topology rather than depending on the CPD of each node as in Bayesian network. We first illustrate our approach with a simple network, then present a formal analysis of the Pragati Node Popularity approach. Our PNP approach shows that for any given network of Bayesian approach, it exactly identifies the same result with minimum efforts. We further extend the result to a more generic one: for any network topology and even though the network is loopy. A theoretical insight of our result is that the optimal routing is always shortest path routing with respect to some considerations of hot spots in the networks.

Keywords: Conditional Probability Distribution, Congestion hotspots, Operational Networks, Traffic Engineering.

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2922 Energy Resources Management for Sustainable Development in Nigeria Niger Delta Region: Women Issues and the Environment

Authors: Chizoba Chinweze, Gwen Abiola-Oloke, Chike Jideani

Abstract:

There is an urgent need to conserve the biological diversity of the Nigerian Environment for the future and present generation in the face of current energy resources development. This paper gives an in-depth analysis of the impact of oil and gas activities on the biological diversity of the Nigerian Niger Delta area and its consequences on the sustainable development of the host communities as it relates to their social, economic and environmental issues, particularly on the womenfolk who are the key managers of environmental resources. Also reviewed is the frustration of these communities that is reflected in unending conflicts.

Keywords: Biodiversity, energy resources, sustainable development, and women issues.

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2921 Reliability Analysis in Electrical Distribution System Considering Preventive Maintenance Applications on Circuit Breakers

Authors: Mahmud Fotuhi-Firuzabad, Saeed Afshar

Abstract:

This paper presents the results of a preventive maintenance application-based study and modeling of failure rates in breakers of electrical distribution systems. This is a critical issue in the reliability assessment of a system. In the analysis conducted in this paper, the impacts of failure rate variations caused by a preventive maintenance are examined. This is considered as a part of a Reliability Centered Maintenance (RCM) application program. A number of load point reliability indices is derived using the mathematical model of the failure rate, which is established using the observed data in a distribution system.

Keywords: Reliability-Centered Maintenance (RCM), failure rate, preventive maintenance (PM), Distribution System Reliability.

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2920 Determination of the Best Fit Probability Distribution for Annual Rainfall in Karkheh River at Iran

Authors: Karim Hamidi Machekposhti, Hossein Sedghi

Abstract:

This study was designed to find the best-fit probability distribution of annual rainfall based on 50 years sample (1966-2015) in the Karkheh river basin at Iran using six probability distributions: Normal, 2-Parameter Log Normal, 3-Parameter Log Normal, Pearson Type 3, Log Pearson Type 3 and Gumbel distribution. The best fit probability distribution was selected using Stormwater Management and Design Aid (SMADA) software and based on the Residual Sum of Squares (R.S.S) between observed and estimated values Based on the R.S.S values of fit tests, the Log Pearson Type 3 and then Pearson Type 3 distributions were found to be the best-fit probability distribution at the Jelogir Majin and Pole Zal rainfall gauging station. The annual values of expected rainfall were calculated using the best fit probability distributions and can be used by hydrologists and design engineers in future research at studied region and other region in the world.

Keywords: Log Pearson Type 3, SMADA, rainfall, Karkheh River.

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2919 Modeling Low Voltage Power Line as a Data Communication Channel

Authors: Eklas Hossain, Sheroz Khan, Ahad Ali

Abstract:

Power line communications may be used as a data communication channel in public and indoor distribution networks so that it does not require the installing of new cables. Industrial low voltage distribution network may be utilized for data transfer required by the on-line condition monitoring of electric motors. This paper presents a pilot distribution network for modeling low voltage power line as data transfer channel. The signal attenuation in communication channels in the pilot environment is presented and the analysis is done by varying the corresponding parameters for the signal attenuation.

Keywords: Data communication, indoor distribution networks, low voltage, power line.

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2918 Human Resources Management Practices in Hospitality Companies

Authors: Dora Martins, Susana Silva, Cândida Silva

Abstract:

Human Resources Management (HRM) has been recognized by academics and practitioners as an important element in organizations. Therefore, this paper explores the best practices of HRM and seeks to understand the level of participation in the development of these practices by human resources managers in the hospitality industry and compare it with other industries. Thus, the study compared the HRM practices of companies in the hospitality sector with HRM practices of companies in other sectors, and identifies the main differences between their HRM practices. The results show that the most frequent HRM practices in all companies, independently of its sector of activity, are hiring and training. When comparing hospitality sector with other sectors of activity, some differences were noticed, namely in the adoption of the practices of communication and information sharing, and of recruitment and selection. According to these results, the paper discusses the major theoretical and practical implications. Suggestions for future research are also presented.

Keywords: Human resources management practices, human resources manager, hospitality companies, Portuguese companies, exploratory study.

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2917 Optimal Analysis of Grounding System Design for Distribution Substation

Authors: T. Lantharthong, N. Rugthaicharoencheep, A. Phayomhom

Abstract:

This paper presents the electrical effect of two neighboring distribution substation during the construction phase. The size of auxiliary grounding grid have an effect on entire grounding system. The bigger the size of auxiliary grounding grid, the lower the GPR and maximum touch voltage, with the exception that when the two grids are unconnected, i.e. the bigger the size of auxiliary grounding grid, the higher the maximum step voltage. The results in this paper could be served as design guideline of grounding system, and perhaps remedy of some troublesome grounding grids in power distribution’s system. Modeling and simulation is carried out on the Current Distribution Electromagnetic interference Grounding and Soil structure (CDEGS) program. The simulation results exhibit the design and analysis of power system grounding and perhaps could be set as a standard in grounding system design and modification in distribution substations.

Keywords: Grounding System, Touch Voltage, Step Voltage, Safety Criteria.

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2916 Temperature Distribution Enhancement in a Conical Diffuser Fitted with Helical Screw-Tape with and without Center-Rod

Authors: Ehan Sabah Shukri, Wirachman Wisnoe

Abstract:

Temperature distribution investigation in a conical diffuser fitted with helical screw-tape with and without center-rod is studied numerically. A helical screw-tape is inserted in the diffuser to create swirl flow that helps to enhance the temperature distribution rate with inlet Reynolds number 4.3 x 104. Three pitch lengths ratios (Y/L = 0.153, 0.23 and 0.307) for the helical screw-tape with and without center-rod are simulated and compared. The geometry of the conical diffuser and the inlet condition for both arrangements are kept constant. Numerical findings show that the helical screw-tape inserts without center-rod perform significantly better than the helical tape inserts with center-rod in the conical diffuser.

Keywords: Diffuser, temperature distribution, CFD, pitch length ratio.

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2915 Speed Characteristics of Mixed Traffic Flow on Urban Arterials

Authors: Ashish Dhamaniya, Satish Chandra

Abstract:

Speed and traffic volume data are collected on different sections of four lane and six lane roads in three metropolitan cities in India. Speed data are analyzed to fit the statistical distribution to individual vehicle speed data and all vehicles speed data. It is noted that speed data of individual vehicle generally follows a normal distribution but speed data of all vehicle combined at a section of urban road may or may not follow the normal distribution depending upon the composition of traffic stream. A new term Speed Spread Ratio (SSR) is introduced in this paper which is the ratio of difference in 85th and 50th percentile speed to the difference in 50th and 15th percentile speed. If SSR is unity then speed data are truly normally distributed. It is noted that on six lane urban roads, speed data follow a normal distribution only when SSR is in the range of 0.86 – 1.11. The range of SSR is validated on four lane roads also.

Keywords: Normal distribution, percentile speed, speed spread ratio, traffic volume.

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2914 A Dynamic Programming Model for Maintenance of Electric Distribution System

Authors: Juha Korpijärvi, Jari Kortelainen

Abstract:

The paper presents dynamic programming based model as a planning tool for the maintenance of electric power systems. Every distribution component has an exponential age depending reliability function to model the fault risk. In the moment of time when the fault costs exceed the investment costs of the new component the reinvestment of the component should be made. However, in some cases the overhauling of the old component may be more economical than the reinvestment. The comparison between overhauling and reinvestment is made by optimisation process. The goal of the optimisation process is to find the cost minimising maintenance program for electric power distribution system.

Keywords: Dynamic programming, Electric distribution system, Maintenance

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2913 Effects of Distributed Generation on Voltage Profile for Reconfiguration of Distribution Networks

Authors: Mahdi Hayatdavudi, Ali Reza Rajabi, Mohammad Hassan Raouf, Mojtaba Saeedimoghadam, Amir Habibi

Abstract:

Generally, distributed generation units refer to small-scale electric power generators that produce electricity at a site close to the customer or an electric distribution system (in parallel mode). From the customers’ point of view, a potentially lower cost, higher service reliability, high power quality, increased energy efficiency, and energy independence can be the key points of a proper DG unit. Moreover, the use of renewable types of distributed generations such as wind, photovoltaic, geothermal or hydroelectric power can also provide significant environmental benefits. Therefore, it is of crucial importance to study their impacts on the distribution networks. A marked increase in Distributed Generation (DG), associated with medium voltage distribution networks, may be expected. Nowadays, distribution networks are planned for unidirectional power flows that are peculiar to passive systems, and voltage control is carried out exclusively by varying the tap position of the HV/MV transformer. This paper will compare different DG control methods and possible network reconfiguration aimed at assessing their effect on voltage profiles.

Keywords: Distribution Feeder Reconfiguration (DFR), Distributed Generator (DG), Voltage Profile, Control.

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2912 Study on the Heat Transfer Performance of the Annular Fin under Condensing Conditions

Authors: Abdenour Bourabaa, Malika Fekih, Mohamed Saighi

Abstract:

A numerical investigation of the fin efficiency and temperature distribution of an annular fin under dehumidification has been presented in this paper. The non-homogeneous second order differential equation that describes the temperature distribution from the fin base to the fin tip has been solved using the central finite difference method. The effects of variations in parameters including relative humidity, air temperature, air face velocity on temperature distribution and fin efficiency are investigated and compared with those under fully dry fin conditions. Also, the effect of fin pitch on the dimensionless temperature has been studied.

Keywords: Annular fin, Dehumidification, Fin efficiency, Heat and mass transfer, Wet fin.

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2911 Effect of Distributed Generators on the Optimal Operation of Distribution Networks

Authors: J. Olamaei , T. Niknam, M. Nayeripour

Abstract:

This paper presents an approach for daily optimal operation of distribution networks considering Distributed Generators (DGs). Due to private ownership of DGs, a cost based compensation method is used to encourage DGs in active and reactive power generation. The objective function is summation of electrical energy generated by DGs and substation bus (main bus) in the next day. A genetic algorithm is used to solve the optimal operation problem. The approach is tested on an IEEE34 buses distribution feeder.

Keywords: Distributed Generator, Daily Optimal Operation, Genetic Algorithm.

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2910 Comparison of the Amount of Resources and Expansion Support Policy of Photovoltaic Power Generation: A Case on Hokkaido and Aichi Prefecture, Japan

Authors: Hiroaki Sumi, Kiichiro Hayashi

Abstract:

Now, the use of renewable energy power generation has been advanced. In this paper, we compared the usable amount of resource for photovoltaic power generation which was estimated using the NEDO formula and the expansion support policy of photovoltaic power generation which was researched using Internet in the municipality level in Hokkaido and Aichi Prefecture, Japan. This paper will contribute to grasp the current situation especially about the policy. As a result, there were municipalities which seemed to be no consideration of fitting the amount of resources. We think it would need to consider the suitability between the resources and policies.

Keywords: Photovoltaic power generation, expansion support policy, amount of resources, Japan.

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2909 Sustainable Development in Iranian South Coastal and Islands Using Wind Energy

Authors: Amir Gandomkar

Abstract:

The development incompatible with environment cannot be sustainable. Using renewable energy sources such as solar energy, geothermal energy and wind energy can make sustainable development in a region. Iran has a lot of renewable and nonrenewable energy resources. Since Iran has a special geographic position, it has lot of solar and wind energy resources. Both solar and wind energy are free, renewable and adaptable with environment. The study of 10 year wind data in Iranian South coastal and Islands synoptic stations shows that the production of wind power electricity and water pumping is possible in this region. In this research, we studied the local and temporal distribution of wind using three – hour statistics of windspeed in Iranian South coastal and Islands synoptic stations. This research shows that the production of wind power electricity is possible in this region all the year.

Keywords: Wind energy, wind regime, wind electricity, synoptic station.

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2908 Unsteady Temperature Distribution in a Finite Functionally Graded Cylinder

Authors: A. Amiri Delouei

Abstract:

In the current study, two-dimensional unsteady heat conduction in a functionally graded cylinder is studied analytically. The temperature distribution is in radial and longitudinal directions. Heat conduction coefficients are considered a power function of radius both in radial and longitudinal directions. The proposed solution can exactly satisfy the boundary conditions. Analytical unsteady temperature distribution for different parameters of functionally graded cylinder is investigated. The achieved exact solution is useful for thermal stress analysis of functionally graded cylinders. Regarding the analytical approach, this solution can be used to understand the concepts of heat conduction in functionally graded materials.

Keywords: Functionally graded materials, unsteady heat conduction, cylinder, Temperature distribution.

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2907 Welfare States vs. States of Resources: A Question of Governance

Authors: Nikoloudi Anastasia, Tsalampouni Aikaterini

Abstract:

The present paper aims to present the significant role that the concept of governance can play in order to combine naturals resources as useful funding basis for the formation of a stable and effective welfare state model. The combination of those two different fields aims to represent the modern trends of our era as the means to solve the severe financial and economic issues caused mostly due to the malfunction of the welfare state and its public sector. European Union and Asian countries (especially China) are the main areas of interest since EU experiences a fiscal and economic crisis while China rules the area of the natural resources exploiting 97% of rare earths elements worldwide.

Keywords: Governance, natural resources, rare earths elements, welfare state.

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2906 Analysis of Distribution of Thrust, Torque and Efficiency of a Constant Chord, Constant Pitch C.R.P. Fan by H.E.S. Method

Authors: Morteza Abbaszadeh, Parvin Nikpoorparizi, Mina Shahrooz

Abstract:

For the first time since 1940 and presentation of theodorson-s theory, distribution of thrust, torque and efficiency along the blade of a counter rotating propeller axial fan was studied with a novel method in this research. A constant chord, constant pitch symmetric fan was investigated with Reynolds Stress Turbulence method in this project and H.E.S. method was utilized to obtain distribution profiles from C.F.D. tests outcome. C.F.D. test results were validated by estimation from Playlic-s analytical method. Final results proved ability of H.E.S. method to obtain distribution profiles from C.F.D test results and demonstrated interesting facts about effects of solidity and differences between distributions in front and rear section.

Keywords: C.F.D Test, Counter Rotating Propeller, H.E.S. Method, R.S.M. Method

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2905 Artificial Neural Network Model for a Low Cost Failure Sensor: Performance Assessment in Pipeline Distribution

Authors: Asar Khan, Peter D. Widdop, Andrew J. Day, Aliaster S. Wood, Steve, R. Mounce, John Machell

Abstract:

This paper describes an automated event detection and location system for water distribution pipelines which is based upon low-cost sensor technology and signature analysis by an Artificial Neural Network (ANN). The development of a low cost failure sensor which measures the opacity or cloudiness of the local water flow has been designed, developed and validated, and an ANN based system is then described which uses time series data produced by sensors to construct an empirical model for time series prediction and classification of events. These two components have been installed, tested and verified in an experimental site in a UK water distribution system. Verification of the system has been achieved from a series of simulated burst trials which have provided real data sets. It is concluded that the system has potential in water distribution network management.

Keywords: Detection, leakage, neural networks, sensors, water distribution networks

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2904 Technical and Economic Impacts of Distributed Generation on Distribution System

Authors: N. Rugthaicharoencheep, S. Auchariyamet

Abstract:

Distributed Generation (DG) in the form of renewable power generation systems is currently preferred for clean power generation. It has a significant impact on the distribution systems. This impact may be either positively or negatively depending on the distribution system, distributed generator and load characteristics. In this works, an overview of DG is briefly introduced. The technology of DG is also listed while the technical impacts and economic impacts are explained.

Keywords: Distributed Generation, Technical Impacts, Economic Impacts.

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2903 Alternative Robust Estimators for the Shape Parameters of the Burr XII Distribution

Authors: F. Z. Doğru, O. Arslan

Abstract:

In general, classical methods such as maximum likelihood (ML) and least squares (LS) estimation methods are used to estimate the shape parameters of the Burr XII distribution. However, these estimators are very sensitive to the outliers. To overcome this problem we propose alternative robust estimators based on the M-estimation method for the shape parameters of the Burr XII distribution. We provide a small simulation study and a real data example to illustrate the performance of the proposed estimators over the ML and the LS estimators. The simulation results show that the proposed robust estimators generally outperform the classical estimators in terms of bias and root mean square errors when there are outliers in data.

Keywords: Burr XII distribution, robust estimator, M-estimator, maximum likelihood, least squares.

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2902 Distributed Generator Placement and Sizing in Unbalanced Radial Distribution System

Authors: J. B. V. Subrahmanyam, C. Radhakrishna

Abstract:

To minimize power losses, it is important to determine the location and size of local generators to be placed in unbalanced power distribution systems. On account of some inherent features of unbalanced distribution systems, such as radial structure, large number of nodes, a wide range of X/R ratios, the conventional techniques developed for the transmission systems generally fail on the determination of optimum size and location of distributed generators (DGs). This paper presents a simple method for investigating the problem of contemporaneously choosing best location and size of DG in three-phase unbalanced radial distribution system (URDS) for power loss minimization and to improve the voltage profile of the system. Best location of the DG is determined by using voltage index analysis and size of DG is computed by variational technique algorithm according to available standard size of DGs. This paper presents the results of simulations for 25-bus and IEEE 37- bus Unbalanced Radial Distribution system.

Keywords: Distributed generator, unbalanced radial distributionsystem, voltage index analysis, variational algorithm.

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2901 The Possibility Distribution for the Controlled Bloodstream Concentrations of Any Physiologically Active Substance

Authors: Arkady Bolotin

Abstract:

In many ways, biomedical analysis is analogous to possibilistic reasoning. In spite of that, there are hardly any applications of possibility theory in biology or medicine. The aim of this work is to demonstrate the use of possibility theory in an epidemiological study. In the paper, we build the possibility distribution for the controlled bloodstream concentrations of any physiologically active substance through few approximate considerations. This possibility distribution is tested later against the empirical histograms obtained from the panel study of the eight different physiologically active substances in 417 individuals.

Keywords: Possibility distributions, physiologically activesubstances, bloodstream concentrations.

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2900 Effect of Specimen Thickness on Probability Distribution of Grown Crack Size in Magnesium Alloys

Authors: Seon Soon Choi

Abstract:

The fatigue crack growth is stochastic because of the fatigue behavior having an uncertainty and a randomness. Therefore, it is necessary to determine the probability distribution of a grown crack size at a specific fatigue crack propagation life for maintenance of structure as well as reliability estimation. The essential purpose of this study is to present the good probability distribution fit for the grown crack size at a specified fatigue life in a rolled magnesium alloy under different specimen thickness conditions. Fatigue crack propagation experiments are carried out in laboratory air under three conditions of specimen thickness using AZ31 to investigate a stochastic crack growth behavior. The goodness-of-fit test for probability distribution of a grown crack size under different specimen thickness conditions is performed by Anderson-Darling test. The effect of a specimen thickness on variability of a grown crack size is also investigated.

Keywords: Crack size, Fatigue crack propagation, Magnesium alloys, Probability distribution, Specimen thickness.

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2899 DIAL Measurements of Vertical Distribution of Ozone at the Siberian Lidar Station in Tomsk

Authors: Oleg A. Romanovskii, Vladimir D. Burlakov, Sergey I. Dolgii, Olga V. Kharchenko, Alexey A. Nevzorov, Alexey V. Nevzorov

Abstract:

The paper presents the results of DIAL measurements of the vertical ozone distribution. The ozone lidar operate as part of the measurement complex at Siberian Lidar Station (SLS) of V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk (56.5ºN; 85.0ºE) and designed for study of the vertical ozone distribution in the upper troposphere–lower stratosphere. Most suitable wavelengths for measurements of ozone profiles are selected. We present an algorithm for retrieval of vertical distribution of ozone with temperature and aerosol correction during DIAL lidar sounding of the atmosphere. The temperature correction of ozone absorption coefficients is introduced in the software to reduce the retrieval errors. Results of lidar measurement at wavelengths of 299 and 341 nm agree with model estimates, which point to acceptable accuracy of ozone sounding in the 6–18 km altitude range.

Keywords: Lidar, ozone distribution, atmosphere, DIAL.

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2898 Challenges and Opportunities in Nuclear Energy: Promising Option in Turkey?

Authors: I. Mahariq, I. Arpacı

Abstract:

Dramatic growth in the population requires a parallel increase in the total installed capacity of electricity. Diversity, independency of resources and global warming call for installing renewable and nuclear energy plants. Several types of energy plants exist in Turkey; however, nuclear energy with its several attractive features is not utilized at all. This study presents the available energy resources in Turkey and reviews major challenges and opportunities in nuclear energy. At the end of this paper, some conclusions are stated.

Keywords: Nuclear, energy resources, challenges, opportunities, Turkey.

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2897 Estimation of R= P [Y < X] for Two-parameter Burr Type XII Distribution

Authors: H.Panahi, S.Asadi

Abstract:

In this article, we consider the estimation of P[Y < X], when strength, X and stress, Y are two independent variables of Burr Type XII distribution. The MLE of the R based on one simple iterative procedure is obtained. Assuming that the common parameter is known, the maximum likelihood estimator, uniformly minimum variance unbiased estimator and Bayes estimator of P[Y < X] are discussed. The exact confidence interval of the R is also obtained. Monte Carlo simulations are performed to compare the different proposed methods.

Keywords: Stress-Strength model, Maximum likelihood estimator, Bayes estimator, Burr type XII distribution.

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2896 A Review on Impacts of Grid-Connected PV System on Distribution Networks

Authors: Davud Mostafa Tobnaghi

Abstract:

This paper aims to investigate and emphasize the importance of the grid-connected photovoltaic (PV) systems regarding the intermittent nature of renewable generation, and the characterization of PV generation with regard to grid code compliance. The development of Photovoltaic systems and expansion plans relating to the futuristic in worldwide is elaborated. The most important impacts of grid connected photovoltaic systems on distribution networks as well as the Penetration level of PV system was investigated.

Keywords: Grid-connected photovoltaic system, distribution network, penetration levels, power quality.

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2895 Structural Modelling of the LiCl Aqueous Solution: Using the Hybrid Reverse Monte Carlo (HRMC) Simulation

Authors: M. Habchi, S.M. Mesli, M. Kotbi

Abstract:

The Reverse Monte Carlo (RMC) simulation is applied in the study of an aqueous electrolyte LiCl6H2O. On the basis of the available experimental neutron scattering data, RMC computes pair radial distribution functions in order to explore the structural features of the system. The obtained results include some unrealistic features. To overcome this problem, we use the Hybrid Reverse Monte Carlo (HRMC), incorporating an energy constraint in addition to the commonly used constraints derived from experimental data. Our results show a good agreement between experimental and computed partial distribution functions (PDFs) as well as a significant improvement in pair partial distribution curves. This kind of study can be considered as a useful test for a defined interaction model for conventional simulation techniques.

Keywords: RMC simulation, HRMC simulation, energy constraint, screened potential, glassy state, liquid state, partial distribution function, pair partial distribution function.

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