Search results for: wall thickness distribution.

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: H. Meddah, M. Berediaf-Bourahla, B. El-Djouzi, N. Bourahla

Abstract:

Shear walls made of cold formed steel are used as lateral force resisting components in residential and low-rise commercial and industrial constructions. The seismic design analysis of such structures is often complex due to the slenderness of members and their instability prevalence. In this context, a simplified modeling technique across the panel is proposed by using the finite element method. The approach is based on idealizing the whole panel by a nonlinear shear link element which reflects its shear behavior connected to rigid body elements which transmit the forces to the end elements (studs) that resist the tension and the compression. The numerical model of the shear wall panel was subjected to cyclic loads in order to evaluate the seismic performance of the structure in terms of lateral displacement and energy dissipation capacity. In order to validate this model, the numerical results were compared with those from literature tests. This modeling technique is particularly useful for the design of cold formed steel structures where the shear forces in each panel and the axial forces in the studs can be obtained using spectrum analysis.

Keywords: Cold-formed steel, cyclic loading, modeling technique, nonlinear analysis, shear wall panel.

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Authors: T. Y. Huang, B. Z. Wang, S. C. Lin, S. Y. Hsu

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A CFD software was employed to analyze the characteristics of the flat round porous aerostatic bearings. The effects of gap between the bearing and the guide way and the porosity of the porous material on the load capacity of the bearing were studied. The adequacy of the simulation model and the approach was verified. From the parametric study, it is found that the depth of the flow path does not influence the load capacity of the bearing; the load capacity of the bearing will decrease if the thickness of the porous material increases or the porous material protrudes above the bearing housing; the variation of the chamfer at the edge of the bearing does not affect the bearing load capacity. For a bearing with an air gap of 5μm and a porosity of 0.1, the average load capacity and the pressure distribution of the bearing are nearly unchanged no matter the bearing moves at a constant or a varying speed.

Keywords: Aerostatic bearing, Load capacity, Porosity, Porous material.

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Authors: Abdenour Bourabaa, Malika Fekih, Mohamed Saighi

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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: Barzin Gavtash, Khalid Hussain, Mohammad Layeghi, Saeed Sadeghi Lafmejani

Abstract:

This research aims at modeling and simulating the effects of nanofluids on cylindrical heat pipes thermal performance using the ANSYS-FLUENT CFD commercial software. The heat pipe outer wall temperature distribution, thermal resistance, liquid pressure and axial velocity in presence of suspended nano-scaled solid particle (i.e. Cu, Al2O3 and TiO2) within the fluid (water) were investigated. The effect of particle concentration and size were explored and it is concluded that the thermal performance of the heat pipe is improved when using nanofluid as the system working fluid. Additionally, it was observed that the thermal resistance of the heat pipe drops as the particle concentration level increases and particle radius decreases.

Keywords: CFD, Heat Pipe, Nanofluid, Thermal resistance

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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: T. Tchawe Moukam, N. Ngongang François, D. Thomas, K. Bienvenu, T. -Toko Dénis

Abstract:

Since the expression of the coefficient of friction by Colebrook-White which turns out to be an implicit equation, equations have been developed to facilitate their applicability. In this work, this equation was applied to the penstock of the Three Gorges dam in order to observe the evolution of the turbulent boundary layer and the friction along the walls. Thus, the study is being carried out using a 3D digital approach in FLUENT in order to take into account the wall effects. It appears that according to the position of the portions, we have a variation in the evolutions of the turbulent friction and of the values of the boundary layer. We also observe that the inclination of the pipe has a significant influence on this turbulent friction; similarly, one could not make a fair evaluation of the latter without specifying the choice and location of the wall.

Keywords: Hydroelectric dam, penstock, turbulent friction, boundary layer, CFD.

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Authors: Omid Ghasemalizadeh, Mohammad Reza Mirzaee, Hossein Sadeghi, Mohammad Taghi Ahmadian

Abstract:

There are lots of different ways to find the natural frequencies of a rotating system. One of the most effective methods which is used because of its precision and correctness is the application of the transfer matrix. By use of this method the entire continuous system is subdivided and the corresponding differential equation can be stated in matrix form. So to analyze shaft that is this paper issue the rotor is divided as several elements along the shaft which each one has its own mass and moment of inertia, which this work would create possibility of defining the named matrix. By Choosing more elements number, the size of matrix would become larger and as a result more accurate answers would be earned. In this paper the dynamics of a rotor-bearing system is analyzed, considering the gyroscopic effect. To increase the accuracy of modeling the thickness of the disk and bearings is also taken into account which would cause more complicated matrix to be solved. Entering these parameters to our modeling would change the results completely that these differences are shown in the results. As said upper, to define transfer matrix to reach the natural frequencies of probed system, introducing some elements would be one of the requirements. For the boundary condition of these elements, bearings at the end of the shaft are modeled as equivalent spring and dampers for the discretized system. Also, continuous model is used for the shaft in the system. By above considerations and using transfer matrix, exact results are taken from the calculations. Results Show that, by increasing thickness of the bearing the amplitude of vibration would decrease, but obviously the stiffness of the shaft and the natural frequencies of the system would accompany growth. Consequently it is easily understood that ignoring the influences of bearing and disk thicknesses would results not real answers.

Keywords: Rotor System, Disk and Bearing Thickness, Transfer Matrix, Amplitude.

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Authors: S. M. Abdul Khader, Anurag Ayachit, Raghuvir Pai, K. A. Ahmed, V. R. K. Rao, S. Ganesh Kamath

Abstract:

The numerical simulation has made tremendous advances in investigating the blood flow phenomenon through elastic arteries. Such study can be useful in demonstrating the disease progression and hemodynamics of cardiovascular diseases such as atherosclerosis. In the present study, patient specific case diagnosed with partially stenosed complete right ICA and normal left carotid bifurcation without any atherosclerotic plaque formation is considered. 3D patient specific carotid bifurcation model is generated based on CT scan data using MIMICS-4.0 and numerical analysis is performed using FSI solver in ANSYS-14.5. The blood flow is assumed to be incompressible, homogenous and Newtonian, while the artery wall is assumed to be linearly elastic. The two-way sequentially coupled transient FSI analysis is performed using FSI solver for three pulse cycles. The hemodynamic parameters such as flow pattern, Wall Shear Stress, pressure contours and arterial wall deformation are studied at the bifurcation and critical zones such as stenosis. The variation in flow behavior is studied throughout the pulse cycle. Also, the simulation results reveal that there is a considerable increase in the flow behavior in stenosed carotid in contrast to the normal carotid bifurcation system. The investigation also demonstrates the disturbed flow pattern especially at the bifurcation and stenosed zone elevating the hemodynamics, particularly during peak systole and later part of the pulse cycle. The results obtained agree well with the clinical observation and demonstrates the potential of patient specific numerical studies in prognosis of disease progression and plaque rupture.

Keywords: Fluid-Structure Interaction, arterial stenosis, Wall Shear Stress, Carotid Artery Bifurcation.

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Authors: Yalda Safaralipour, Seyed Ahmad Shahgoli

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Nowadays over-consumption of fossil energy in buildings especially in residential buildings and also considering the increase in populations, the crisis of energy shortage in a near future is predictable. The recent performance of developed countries in construction with the aim of decreasing fossil energies shows that these countries have understood the incoming crisis and has taken reasonable and basic actions in this regard. However, Iranian architecture, with several thousands years of history, has acquired and executed invaluable experiences in designing, adapting and coordinating with the nature. Architectural studies during the recent decades show that imitating modern western architecture results in high energy wastage beside the fact that it not reasonably adaptable and corresponded with the habits and customs of people unlike the architecture in the past which was compatible and adaptable with the climatic conditions and this necessitates optimal using of renewable energies more than ever. This paper studies problems of design, execution and living in today's houses and reviews the characteristics of climatic elements paying special attention to the performance of trombe wall and solar greenhouse in traditional houses and offers some suggestions for combining these two elements and a climatic strategy.

Keywords: Climatic Designing, Housing in Hot & Dry Area, Solar Greenhouse, Trombe Wall.

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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: R. Ziaie Moayed, V. Rashidian, E. Izadi

Abstract:

This paper utilizes a finite element analysis to study the bearing capacity of ring footings on a two-layered soil. The upper layer, that the footing is placed on it, is soft clay and the underneath layer is a cohesionless sand. For modeling soils, Mohr–Coulomb plastic yield criterion is employed. The effects of two factors, the clay layer thickness and the ratio of internal radius of the ring footing to external radius of the ring, have been analyzed. It is found that the bearing capacity decreases as the value of ri / ro increases. Although, as the clay layer thickness increases the bearing capacity was alleviated gradually.

Keywords: Bearing capacity, Ring footing, Two-layered soil

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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: Ali Rabiee, Hessam Ghasemnejad

Abstract:

Extensive experimental investigation on the effect of stitching pattern on tubular composite structures was conducted. The effect of stitching reinforcement through thickness on using glass flux yarn on energy absorption of fiber-reinforced polymer (FRP) was investigated under high speed loading conditions at axial loading. Keeping the mass of the structure at 125 grams and applying different pattern of stitching at various locations in theory enables better energy absorption, and also enables the control over the behaviour of force-crush distance curve. The study consists of simple non-stitch absorber comparison with single and multi-location stitching behaviour and its effect on energy absorption capabilities. The locations of reinforcements are 10 mm, 20 mm, 30 mm, 10-20 mm, 10-30 mm, 20-30 mm, 10-20-30 mm and 10-15-20-25-30-35 mm from the top of the specimen. The effect of through the thickness reinforcements has shown increase in energy absorption capabilities and crushing load. The significance of this is that as the stitching locations are closer, the crushing load increases and consequently energy absorption capabilities are also increased. The implementation of this idea would improve the mean force by applying stitching and controlling the behaviour of force-crush distance curve.

Keywords: Through-thickness, stitching, reinforcement, Tulbular composite structures, energy absorption.

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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: Majid Yazdandoust

Abstract:

This study, tries to suggest a design method based on displacement using finite difference numerical modeling in reinforcing soil retaining wall with steel strip. In this case, dynamic loading characteristics such as duration, frequency, peak ground acceleration, geometrical characteristics of reinforced soil structure and type of the site are considered to correct the pseudo static method and finally introduce the pseudo static coefficient as a function of seismic performance level and peak ground acceleration. For this purpose, the influence of dynamic loading characteristics, reinforcement length, height of reinforced system and type of the site are investigated on seismic behavior of reinforcing soil retaining wall with steel strip. Numerical results illustrate that the seismic response of this type of wall is highly dependent to cumulative absolute velocity, maximum acceleration, and height and reinforcement length so that the reinforcement length can be introduced as the main factor in shape of failure. Considering the loading parameters, geometric parameters of the wall and type of the site showed that the used method in this study leads to efficient designs in comparison with other methods, which are usually based on limit-equilibrium concept. The outputs show the over-estimation of equilibrium design methods in comparison with proposed displacement based methods here.

Keywords: Pseudo static coefficient, seismic performance design, numerical modeling, steel strip reinforcement, retaining walls, cumulative absolute velocity, failure shape.

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

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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: Yong-Taeg Lee, Jun-Ho Na, Seung-Hun Kim, Seong-Uk Hong

Abstract:

Damages from noise and vibration are increasing every year, most of which are noises between floors in deteriorated building caused by floor impact sound. In this study, the concrete slab measured vibration impact sound for evaluation floor vibration of deteriorated buildings that fails to satisfy with the minimum thickness. In this experimental study, the vibration scale by impact sound was calibrated and compared with ISO and AIJ standard for vibration. The results show that vibration in slab with thickness used in existing building reach human perception levels.

Keywords: Vibration, Frequency, Accelerometer, Concrete slab.

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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: Pei-Syuan Ruan, Ya-Chi Yu, Shao-Wen Chen, Jin-Der Lee, Jong-Rong Wang, Chunkuan Shih

Abstract:

This study investigated the void fraction characteristics under low superficial gas velocity (J_g) and low superficial fluid velocity (J_f) conditions in a 3x3 rod bundle geometry. Three arrangements of conductivity probes were set to measure the void fraction at various cross-sectional regions, including rod-gap, sub-channel and rod-wall regions. The experimental tests were performed under the flow conditions of J_g = 0-0.236 m/s and J_f = 0-0.142 m/s, and the time-averaged void fractions were recorded at each flow condition. It was observed that while the superficial gas velocity increases, the small bubbles started to cluster together and become big bubbles. As the superficial fluid velocity increases, the local void fractions of the three test regions will get closer and the bubble distribution will be more uniform across the cross section.

Keywords: Conductivity probes, rod bundles, two-phase flow, void fraction.

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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: Zhao Wang, Hong Yan

Abstract:

In this paper, a unified-gas kinetic scheme (UGKS) for the gas-particle flow is constructed. UGKS is a direct modeling method for both continuum and rarefied flow computations. The dynamics of particle and gas are described as rarefied and continuum flow, respectively. Therefore, we use the Bhatnagar-Gross-Krook (BGK) equation for the particle distribution function. For the gas phase, the gas kinetic scheme for Navier-Stokes equation is solved. The momentum transfer between gas and particle is achieved by the acceleration term added to the BGK equation. The new scheme is tested by a 2cm-in-thickness dense bed comprised of glass particles with 1.5mm in diameter, and reasonable agreement is achieved.

Keywords: Gas-particle flow, unified gas-kinetic scheme, momentum transfer, shock-induced fluidization.

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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: W. C. Bracken

Abstract:

Given that concrete masonry walls are expected to experience shrinkage combined with thermal expansion and contraction, and in some cases even carbonation, throughout their service life, cracking is to be expected. However, after concrete masonry walls have been placed into service, originally anticipated and accounted for cracking is often misdiagnosed as a structural defect. Such misdiagnoses often result in or are used to support litigation. This paper begins by discussing the causes and types of anticipated cracking within concrete masonry walls followed by a discussion on the processes and analyses that exists for properly evaluating them and their significance. From here, the paper then presents a case of misdiagnosed concrete masonry cracking and the flawed logic employed to support litigation.

Keywords: Concrete masonry, masonry wall cracking, structural defect, structural damage, construction defect, forensic investigation.

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Authors: M. Kucukali Ozturk, B. Nergis, C. Candan

Abstract:

Air permeability plays an important role for applications such as filtration, thermal and acoustic insulation. The study discussed in this paper was conducted in an attempt to investigate air permeability property of various combinations of nonwovens. The PROWHITE air permeability tester was used for the measurement of the air permeability of the samples in accordance with the relevant standards and a comparative study of the results were made. It was found that the fabric mass per unit area was closely related to the air-permeability. The air permeability decreased with the increase in mass per unit area. Additionally, the air permeability of nonwoven fabrics decreased with the increase in thickness. Moreover, air permeability of multilayered SMS nonwoven structures was lower than those of single layered ones.

Keywords: Air permeability, mass per unit area, nonwoven structure, polypropylene nonwoven, thickness.

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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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