Search results for: normal and log-normal distribution

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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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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Authors: Lenka Techniková, Maroš Tunák, Jiří Janáček

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This work deals with the determination and comparison of pill patterns in 2 sets of fabric samples which differ in way of pill creation. The first set contains fabric samples with the pills created by simulation on a Martindale abrasion machine, while pills in the second set originated during normal wearing and maintenance. The goal of the study is to determine whether the pattern of the fabric pills created by simulation is the same as the pattern of naturally occurring pills. The system of determination and comparison of the pills is based on image processing and spatial data analysis tools. Firstly, 3D reconstruction of the fabric surfaces with the pills is realized with using a gradient fields method. The gradient fields method creates a 3D fabric surface from a set of 4 images. Thereafter, the pills are detected in 3D fabric surfaces using image-processing tools in the MATLAB software. Determination and comparison of the pills patterns of two sets of fabric samples is based on spatial data analysis using tools in R software.

Keywords: 3D reconstruction of the surface, image analysis tools, distribution of the pills, spatial data analysis tools.

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Authors: T. Makkasap, T. Satapanajaru

Abstract:

The objective of this study was to evaluate the distribution patterns of Cd, Zn and Hg in groundwater by geospatial interpolation. The study was performed at Rayong province in the eastern part of Thailand, with high agricultural and industrial activities. Groundwater samples were collected twice a year from 31 tubewells around this area. Inductively Coupled Plasma-Atomic Emission Spectrometer (ICP-AES) was used to measure the concentrations of Cd, Zn, and Hg in groundwater samples. The results demonstrated that concentrations of Cd, Zn and Hg range from 0.000-0.297 mg/L (x = 0.021±0.033 mg/L), 0.022-33.236 mg/L (x = 4.214±4.766 mg/L) and 0.000-0.289 mg/L (x = 0.023±0.034 mg/L), respectively. Most of the heavy metals concentrations were exceeded groundwater quality standards as specified in the Ministry of Natural Resources and Environment, Thailand. The trend distribution of heavy metals were high concentrations at the southeastern part of the area that especially vulnerable to heavy metals and other contaminants.

Keywords: Groundwater, Heavy metals, Kriging, Rayong, Spatial distribution.

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Authors: Carolina B. Baguio

Abstract:

One of the purposes of the robust method of estimation is to reduce the influence of outliers in the data, on the estimates. The outliers arise from gross errors or contamination from distributions with long tails. The trimmed mean is a robust estimate. This means that it is not sensitive to violation of distributional assumptions of the data. It is called an adaptive estimate when the trimming proportion is determined from the data rather than being fixed a “priori-. The main objective of this study is to find out the robustness properties of the adaptive trimmed means in terms of efficiency, high breakdown point and influence function. Specifically, it seeks to find out the magnitude of the trimming proportion of the adaptive trimmed mean which will yield efficient and robust estimates of the parameter for data which follow a modified Weibull distribution with parameter λ = 1/2 , where the trimming proportion is determined by a ratio of two trimmed means defined as the tail length. Secondly, the asymptotic properties of the tail length and the trimmed means are also investigated. Finally, a comparison is made on the efficiency of the adaptive trimmed means in terms of the standard deviation for the trimming proportions and when these were fixed a “priori". The asymptotic tail lengths defined as the ratio of two trimmed means and the asymptotic variances were computed by using the formulas derived. While the values of the standard deviations for the derived tail lengths for data of size 40 simulated from a Weibull distribution were computed for 100 iterations using a computer program written in Pascal language. The findings of the study revealed that the tail lengths of the Weibull distribution increase in magnitudes as the trimming proportions increase, the measure of the tail length and the adaptive trimmed mean are asymptotically independent as the number of observations n becomes very large or approaching infinity, the tail length is asymptotically distributed as the ratio of two independent normal random variables, and the asymptotic variances decrease as the trimming proportions increase. The simulation study revealed empirically that the standard error of the adaptive trimmed mean using the ratio of tail lengths is relatively smaller for different values of trimming proportions than its counterpart when the trimming proportions were fixed a 'priori'.

Keywords: Adaptive robust estimate, asymptotic efficiency, breakdown point, influence function, L-estimates, location parameter, tail length, Weibull distribution.

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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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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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Authors: Alireza Mallahzadeh, Hamid Dehghani, Iman Elyasi

Abstract:

A new method, based on the normal shrink and modified version of Katssagelous and Lay, is proposed for multiscale blind image restoration. The method deals with the noise and blur in the images. It is shown that the normal shrink gives the highest S/N (signal to noise ratio) for image denoising process. The multiscale blind image restoration is divided in two sections. The first part of this paper proposes normal shrink for image denoising and the second part of paper proposes modified version of katssagelous and Lay for blur estimation and the combination of both methods to reach a multiscale blind image restoration.

Keywords: Multiscale blind image restoration, image denoising, blur estimation.

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Authors: B. Tayebani, N. Hosseinibalam, D. Mostofinejad

Abstract:

Interest in using bacteria in cement materials due to its positive influences has been increased. Cement materials such as mortar and concrete basically suffer from higher porosity and water absorption compared to other building materials such as steel materials. Because of the negative side-effects of certain chemical techniques, biological methods have been proposed as a desired and environmentally friendly strategy for reducing concrete porosity and diminishing water absorption. This paper presents the results of an experimental investigation carried out to evaluate the influence of Sporosarcina pasteurii bacteria on the behaviour of two types of concretes (light weight aggregate concrete and normal weight concrete). The resistance of specimens to water penetration by testing water absorption and evaluating the electrical resistance of those concretes was examined and compared. As a conclusion, 20% increase in electrical resistance and 10% reduction in water absorption of lightweight aggregate concrete (LWAC) and for normal concrete the results show 7% decrease in water absorption and almost 10% increase in electrical resistance.

Keywords: Bacteria, biological method, normal weight concrete, lightweight aggregate concrete, water absorption, electrical resistance.

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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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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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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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Authors: Najmeh Bolbolamiri, Maryam Setayesh Sanai, Ahmad Mirabadi

Abstract:

This paper deals with condition monitoring of electric switch machine for railway points. Point machine, as a complex electro-mechanical device, switch the track between two alternative routes. There has been an increasing interest in railway safety and the optimal management of railway equipments maintenance, e.g. point machine, in order to enhance railway service quality and reduce system failure. This paper explores the development of Kolmogorov- Smirnov (K-S) test to detect some point failures (external to the machine, slide chairs, fixing, stretchers, etc), while the point machine (inside the machine) is in its proper condition. Time-domain stator Current signatures of normal (healthy) and faulty points are taken by 3 Hall Effect sensors and are analyzed by K-S test. The test is simulated by creating three types of such failures, namely putting a hard stone and a soft stone between stock rail and switch blades as obstacles and also slide chairs- friction. The test has been applied for those three faults which the results show that K-S test can effectively be developed for the aim of other point failures detection, which their current signatures deviate parametrically from the healthy current signature. K-S test as an analysis technique, assuming that any defect has a specific probability distribution. Empirical cumulative distribution functions (ECDF) are used to differentiate these probability distributions. This test works based on the null hypothesis that ECDF of target distribution is statistically similar to ECDF of reference distribution. Therefore by comparing a given current signature (as target signal) from unknown switch state to a number of template signatures (as reference signal) from known switch states, it is possible to identify which is the most likely state of the point machine under analysis.

Keywords: stator currents monitoring, railway points, point failures, fault detection and diagnosis, Kolmogorov-Smirnov test, time-domain analysis.

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

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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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Authors: Mazin Alqhazo, Ayat Bani Rashaid

Abstract:

This study examines the levels of dopamine and serotonin in blood samples of children who stutter compared with normal fluent speakers. Blood specimens from 50 children who stutter (6 females, 44 males) and 50 normal children matched age and gender were collected for the purpose of the current study. The concentrations of dopamine and serotonin were measured using the 1100 series high-performance liquid chromatography coupled with ultraviolet detector instrument (HPLC-UV). It was revealed that dopamine level in the blood samples of stuttering group and fluent group was not significant (P = 0.769), whereas the level of serotonin was significantly higher in the blood samples of stuttering group than the blood samples of fluent normal group (P = 0.015). It is concluded that serotonin blockers could be used in future studies to evaluate its role as a medication for the treatment of stuttering.

Keywords: Dopamine, serotonin, stuttering, fluent.

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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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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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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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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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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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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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Authors: C. Lanzerstorfer, M. Hinterberger

Abstract:

The iron content of the ore used is crucial for the productivity and coke consumption rate in blast furnace pig iron production. Therefore, most iron ore deposits are processed in beneficiation plants to increase the iron content and remove impurities. In several comminution stages, the particle size of the ore is reduced to ensure that the iron oxides are physically liberated from the gangue. Subsequently, physical separation processes are applied to concentrate the iron ore. The fine-grained ore concentrates produced need to be transported, stored, and processed. For smooth operation of these processes, the flow properties of the material are crucial. The flowability of powders depends on several properties of the material: grain size, grain size distribution, grain shape, and moisture content of the material. The flowability of powders can be measured using ring shear testers. In this study, the influence of the moisture content on the flowability for the Krivoy Rog magnetite iron ore concentrate was investigated. Dry iron ore concentrate was mixed with varying amounts of water to produce samples with a moisture content in the range of 0.2 to 12.2%. The flowability of the samples was investigated using a Schulze ring shear tester. At all measured values of the normal stress (1.0 kPa – 20 kPa), the flowability decreased significantly from dry ore to a moisture content of approximately 3-5%. At higher moisture contents, the flowability was nearly constant, while at the maximum moisture content the flowability improved for high values of the normal stress only. The results also showed an improving flowability with increasing consolidation stress for all moisture content levels investigated. The wall friction angle of the dust with carbon steel (S235JR), and an ultra-high molecule low-pressure polyethylene (Robalon) was also investigated. The wall friction angle increased significantly from dry ore to a moisture content of approximately 3%. For higher moisture content levels, the wall friction angles were nearly constant. Generally, the wall friction angle was approximately 4° lower at the higher wall normal stress.

Keywords: Iron ore concentrate, flowability, moisture content, wall friction angle.

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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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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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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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Authors: S.K. Sardar, D. Mandal, R. Mukherjee

Abstract:

The notions of intuitionistic fuzzy h-ideal and normal intuitionistic fuzzy h-ideal in Γ-hemiring are introduced and some of the basic properties of these ideals are investigated. Cartesian product of intuitionistic fuzzy h-ideals is also defined. Finally a characterization of intuitionistic fuzzy h-ideals in terms of fuzzy relations is obtained.

Keywords: Γ-hemiring, fuzzy h-ideal, normal, cartesian product.Mathematics Subject Classification[2000] :08A72, 16Y99

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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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Authors: Yahya A. Sadiq, Grace F. Balogun, Olufemi J. Anjorin

Abstract:

This study analyzed the spatial distribution of socio-economic factors in Kogi state with a view to examining its implications on the development of the state. Consequently, questionnaires were administered on both the selected individual respondents (784) in the state and on the administrative offices (local council offices, 21) to solicit relevant information on the spatial distribution of socio-economic factors in their areas. The collected data were tabulated and analyzed using percentages. The study revealed commerce/trade, education, and health care, etc. as the major socio-economic factors in the state but with marked variation/imbalance in their spatial distribution across the study area. The rural-based local government areas have far less of such important facilities. Conclusively, it was recommended that there is need for socio-economic transformation of living conditions of people in the study area especially by positively redistributing local political power and the resources that are abound in the state will be felt by everybody including the commoners.

Keywords: Development, local government areas, socio-economic factors, spatial distribution.

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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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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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