Search results for: lower bound method

Authors: R. Shivarudraswamy, D. N. Gaonkar

Abstract:

The continued interest in the use of distributed generation in recent years is leading to the growth in number of distributed generators connected to distribution networks. Steady state voltage rise resulting from the connection of these generators can be a major obstacle to their connection at lower voltage levels. The present electric distribution network is designed to keep the customer voltage within tolerance limit. This may require a reduction in connectable generation capacity, under utilization of appropriate generation sites. Thus distribution network operators need a proper voltage regulation method to allow the significant integration of distributed generation systems to existing network. In this work a voltage rise problem in a typical distribution system has been studied. A method for voltage regulation of distribution system with multiple DG system by coordinated operation distributed generator, capacitor and OLTC has been developed. A sensitivity based analysis has been carried out to determine the priority for individual generators in multiple DG environment. The effectiveness of the developed method has been evaluated under various cases through simulation results.

Keywords: Distributed generation, voltage control, sensitivity factor.

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Authors: Chien-Hui Yang, Che-Yang Lin, Ya-Chen Hsu

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Gold passbook is an investing tool that is especially suitable for investors to do small investment in the solid gold. The gold passbook has the lower risk than other ways investing in gold, but its price is still affected by gold price. However, there are many factors can cause influences on gold price. Therefore, building a model to predict the price of gold passbook can both reduce the risk of investment and increase the benefits. This study investigates the important factors that influence the gold passbook price, and utilize the Group Method of Data Handling (GMDH) to build the predictive model. This method can not only obtain the significant variables but also perform well in prediction. Finally, the significant variables of gold passbook price, which can be predicted by GMDH, are US dollar exchange rate, international petroleum price, unemployment rate, whole sale price index, rediscount rate, foreign exchange reserves, misery index, prosperity coincident index and industrial index.

Keywords: Gold price, Gold passbook price, Group Method ofData Handling (GMDH), Regression.

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Authors: Hironobu Murayama, Shohei Shimizu, Masakazu Ohnuki, Hisanori Mihara, Tohru Kanada

Abstract:

Disordered function of maniphalanx and difficulty with ambulation will occur insofar as a human has a failure in the spinal marrow. Cervical spondylotic myelopathy as one of the myelopathy emanates from not only external factors but also increased age. In addition, the diacrisis is difficult since cervical spondylotic myelopathy is evaluated by a doctor-s neurological remark and imaging findings. As a quantitative method for measuring the degree of disability, hand-operated triangle step test (for short, TST) has formulated. In this research, a full automatic triangle step counter apparatus is designed and developed to measure the degree of disability in an accurate fashion according to the principle of TST. The step counter apparatus whose shape is a low triangle pole displays the number of stepping upon each corner. Furthermore, the apparatus has two modes of operation. Namely, one is for measuring the degree of disability and the other for rehabilitation exercise. In terms of usefulness, clinical practice should be executed before too long.

Keywords: Cervical spondylotic myelopathy, disorder of lower limbs, measuringfunction, rehabilitation function, full automatic apparatus, triangle step test.

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Authors: Wook-Won Kim, Je-Seok Shin, Jin-O Kim

Abstract:

As the penetration of Energy Storage System (ESS) increases in the power system due to higher performance and lower cost than ever, ESS is expanding its role to the ancillary service as well as the storage of extra energy from the intermittent renewable energy resources. For multi-ESS with different capacity and SOC level each other, it is required to make the optimal schedule of SOC level use the multi-ESS effectively. This paper proposes the energy allocation method for the multiple battery ESS with reliability constraint, in order to make the ESS discharge the required energy as long as possible. A simple but effective method is proposed in this paper, to satisfy the power for the spinning reserve requirement while improving the system reliability. Modelling of ESS is also proposed, and reliability is evaluated by using the combined reliability model which includes the proposed ESS model and conventional generation one. In the case study, it can be observed that the required power is distributed to each ESS adequately and accordingly, the SOC is scheduled to improve the reliability indices such as Loss of Load Probability (LOLP) and Loss of Load Expectation (LOLE).

Keywords: Multiple energy storage system, energy allocation method, SOC schedule, reliability constraints.

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Authors: Chirawat Wattanapanich, Hong Wei

Abstract:

This study presents new gait representations for improving gait recognition accuracy on cross gait appearances, such as normal walking, wearing a coat and carrying a bag. Based on the Gait Energy Image (GEI), two ideas are implemented to generate new gait representations. One is to append lower knee regions to the original GEI, and the other is to apply convolutional operations to the GEI and its variants. A set of new gait representations are created and used for training multi-class Support Vector Machines (SVMs). Tests are conducted on the CASIA dataset B. Various combinations of the gait representations with different convolutional kernel size and different numbers of kernels used in the convolutional processes are examined. Both the entire images as features and reduced dimensional features by Principal Component Analysis (PCA) are tested in gait recognition. Interestingly, both new techniques, appending the lower knee regions to the original GEI and convolutional GEI, can significantly contribute to the performance improvement in the gait recognition. The experimental results have shown that the average recognition rate can be improved from 75.65% to 87.50%.

Keywords: Convolutional image, lower knee, gait.

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Authors: Kalindi Kokal

Abstract:

India recognizes the personal laws of the various religious communities that reside in the country. At the same time all the institutions of the state in India are committed to the value of secularism. This paper has been developed on the basis of a case study that indicates the dynamics of religion in the working of the lower judiciary in India. Majority of the commentary on religion and the judiciary has focused on debates surrounding the existence and application of personal laws. This paper, through a case study in the lower judiciary, makes an attempt to examine whether the interface between religion and the judiciary goes beyond personal laws. The first part of this paper explains the history and application of personal laws in social, political and legal contexts in India. The second part examines the case study located in two courts of first instance, following into the third part which provides an analysis of the empirical evidence. The fourth part focuses on preliminary observations about why there is a hesitancy to speak about religion in relation to the working of the judicial system.

Keywords: Lower Courts, India, Legal Pluralism, Personal Law.

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Authors: Seifedine Kadry

Abstract:

In this article, our objective is the analysis of the resolution of non-linear differential systems by combining Newton and Continuation (N-C) method. The iterative numerical methods converge where the initial condition is chosen close to the exact solution. The question of choosing the initial condition is answered by N-C method.

Keywords: Continuation Method, Newton Method, Finite Difference Method, Numerical Analysis and Non-Linear partial Differential Equation.

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Authors: Kyoungwoo Park, Byeong Sam Kim, Hyo-Jae Lim, Ji Won Han, Park Kyoun Oh, Juhee Lee, Keun-Yeol Yu

Abstract:

Predictions of flow and heat transfer characteristics and shape optimization in internally finned circular tubes have been performed on three-dimensional periodically fully developed turbulent flow and thermal fields. For a trapezoidal fin profile, the effects of fin height h, upper fin widths d1, lower fin widths d2, and helix angle of fin ? on transport phenomena are investigated for the condition of fin number of N = 30. The CFD and mathematical optimization technique are coupled in order to optimize the shape of internally finned tube. The optimal solutions of the design variables (i.e., upper and lower fin widths, fin height and helix angle) are numerically obtained by minimizing the pressure loss and maximizing the heat transfer rate, simultaneously, for the limiting conditions of d1 = 0.5~1.5 mm, d2 = 0.5~1.5 mm, h= 0.5~1.5mm, ? = 10~30 degrees. The fully developed flow and thermal fields are predicted using the finite volume method and the optimization is carried out by means of the multi-objective genetic algorithm that is widely used in the constrained nonlinear optimization problem.

Keywords: Computational fluid dynamics, Genetic algorithm, Internally finned tube with helix angle, Optimization.

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Authors: Mohammadreza Vafaei, Amirali Moradi, Sophia C. Alih

Abstract:

The method selected for the design of structures not only can affect their seismic vulnerability but also can affect their construction cost. For the design of steel structures, two distinct methods have been introduced by existing codes, namely allowable stress design (ASD) and load resistant factor design (LRFD). This study investigates the effect of using the aforementioned design methods on the seismic vulnerability and construction cost of steel structures. Specifically, a 20-story building equipped with special moment resisting frame and an eccentrically braced system was selected for this study. The building was designed for three different intensities of peak ground acceleration including 0.2 g, 0.25 g, and 0.3 g using the ASD and LRFD methods. The required sizes of beams, columns, and braces were obtained using response spectrum analysis. Then, the designed frames were subjected to nine natural earthquake records which were scaled to the designed response spectrum. For each frame, the base shear, story shears, and inter-story drifts were calculated and then were compared. Results indicated that the LRFD method led to a more economical design for the frames. In addition, the LRFD method resulted in lower base shears and larger inter-story drifts when compared with the ASD method. It was concluded that the application of the LRFD method not only reduced the weights of structural elements but also provided a higher safety margin against seismic actions when compared with the ASD method.

Keywords: Allowable stress design, load resistant factor design, nonlinear time history analysis, seismic vulnerability, steel structures.

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Authors: Ahmed M. Farag, Wael F. Mohamed, Atef A. Ata, Burhamy M. Burhamy

Abstract:

The main objective of the present paper is to derive an easy numerical technique for the analysis of the free vibration through the stepped regions of plates. Based on the utilities of the step by step integration initial values IV and Finite differences FD methods, the present improved Initial Value Finite Differences (IVFD) technique is achieved. The first initial conditions are formulated in convenient forms for the step by step integrations while the upper and lower edge conditions are expressed in finite difference modes. Also compatibility conditions are created due to the sudden variation of plate thickness. The present method (IVFD) is applied to solve the fourth order partial differential equation of motion for stepped plate across two different panels under the sudden step compatibility in addition to different types of end conditions. The obtained results are examined and the validity of the present method is proved showing excellent efficiency and rapid convergence.

Keywords: Vibrations, Step by Step Integration, Stepped plate, Boundary.

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Authors: Ampon Dhamacharoen, Kanittha Chompuvised

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In this work, we solve multipoint boundary value problems where the boundary value conditions are equations using the Newton-Broyden Shooting method (NBSM).The proposed method is tested upon several problems from the literature and the results are compared with the available exact solution. The experiments are given to illustrate the efficiency and implementation of the method.

Keywords: Boundary value problem; Multipoint equation boundary value problems, Shooting Method, Newton-Broyden method.

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Authors: M. F. Patricio, P. M. Rosa

Abstract:

In this paper a class of numerical methods to solve linear and nonlinear PDEs and also systems of PDEs is developed. The Differential Transform method associated with the Method of Lines (MoL) is used. The theory for linear problems is extended to the nonlinear case, and a recurrence relation is established. This method can achieve an arbitrary high-order accuracy in time. A variable stepsize algorithm and some numerical results are also presented.

Keywords: Method of Lines, Differential Transform Method.

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Authors: Z. Veselý, M. Honner

Abstract:

High power laser – total emissivity method (HPL-TE method) for determination of coatings relative total emissivity dependent on the temperature is introduced. Method principle, experimental and evaluation parts of the method are described. Computer model of HPL-TE method is employed to perform the sensitivity analysis of the effect of method parameters on the sample surface temperature in the positions where the surface temperature and radiation heat flux are measured.

Keywords: High temperature laser testing, measurement ofthermal properties, emissivity, coatings.

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Authors: Ibrahim Abu-Alshaikh

Abstract:

In this study, a new root-finding method for solving nonlinear equations is proposed. This method requires two starting values that do not necessarily bracketing a root. However, when the starting values are selected to be close to a root, the proposed method converges to the root quicker than the secant method. Another advantage over all iterative methods is that; the proposed method usually converges to two distinct roots when the given function has more than one root, that is, the odd iterations of this new technique converge to a root and the even iterations converge to another root. Some numerical examples, including a sine-polynomial equation, are solved by using the proposed method and compared with results obtained by the secant method; perfect agreements are found.

Keywords: Iterative method, root-finding method, sine-polynomial equations, nonlinear equations.

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Authors: A. Nielen, S. Mütze-Niewöhner, C. M. Schlick

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In view of growing competition in the service sector, services are as much in need of modeling, analysis and improvement as business or working processes. Graphical process models are important means to capture process-related know-how for an effective management of the service process. In this contribution, a human performance analysis of process model development paying special attention to model development time and the working method was conducted. It was found that modelers with higher application experience need significantly less time for mental activities than modelers with lower application experience, spend more time on labeling graphical elements, and achieved higher process model quality in terms of activity label quality.

Keywords: Model quality, predetermined motion time system, process modeling, working method.

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Authors: N. M. Kamoh, M. C. Soomiyol

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In this work, a five step continuous method for the solution of third order ordinary differential equations was developed in block form using collocation and interpolation techniques of the shifted Legendre polynomial basis function. The method was found to be zero-stable, consistent and convergent. The application of the method in solving third order initial value problem of ordinary differential equations revealed that the method compared favorably with existing methods.

Keywords: Shifted Legendre polynomials, third order block method, discrete method, convergent.

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Authors: Tushar Vasant Salunkhe, Sariput M. Nawghare, Maheboobsab B. Nadaf, Sushovan Dutta, J. N. Mandal

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The model tests were conducted in the laboratory without and with Plastic recycled polymer in fly ash steep slopes overlaying soft foundation soils like fly ash and powai soil in order to check the stability of steep slope. In this experiment, fly ash is used as a filling material and Plastic Recycled Polymers of diameter = 3mm and length = 4mm were made from waste plastic product (lower grade plastic product). The properties of fly ash and Plastic recycled polymers are determined. From the experiments, load and settlement have measured. From these data, load –settlement curves have reported. It has been observed from test results that load carrying capacity of mixture fly ash with Plastic Recycled Polymers slope is more than that of fly ash slope. The deformation of Plastic Recycled Polymers slope is slightly more than that of fly ash slope. A Finite Element Method (F.E.M.) was also evaluated using PLAXIS 3D version. The failure pattern, deformations and factor of safety are reported based on analytical programme. The results from experimental data and analytical programme are compared and reported.

Keywords: Fly ash, Plastic recycled polymer, Factor of safety, Finite element method (FEM), Bishop’s simplified method.

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Authors: Marie Pavelková, Hana Lukášová

Abstract:

Pupils´ inquisitiveness at the beginning of their school attendance is reflected by characteristics of the questions they ask. Clearly most of the classroom communication sequences are initiated by the teacher. But the teaching process also includes questions initiated by pupils in the need to satisfy their need for knowledge. The purpose of our research is to present the results of our pre-research strategy of occurrence of pupil-initiated questions in math lessons at the lower elementary school level, and to reveal the extent to which they are influenced by the teacher´s teaching strategy. We used the research methods of direct and indirect observations of fifth year classes in primary school. We focused on questions asked by the pupils in their math lessons. Our research sample for the pre-research observation method was a collection of video recordings available online. We used them for analysing the nature of pupils´ questions identified there. On the basis of the analysis, we hereby present the results concerning the nature of pupils´ questions asked in math lessons on the lower elementary school level. The interpretation of the collected results will be the starting point for the selection of research strategies in the next research stages concerning pupils’ questions in the future.

Keywords: Alternative strategies, 1ower elementary school level, pupil´s question, teaching strategies.

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Authors: A. Gandomkar, K. Fouladi

Abstract:

One of the efficient factors in comprehensive development of an area is to provide water sources and on the other hand the appropriate management of them. Population growth and nourishment security for such a population necessitate the achievement of constant development besides the reforming of traditional management in order to increase the profit of sources; In this case, the constant exploitation of sources for the next generations will be considered in this program. The achievement of this development without the consideration and possibility of water development will be too difficult. Zayanderood basin with 41500 areas in square kilometers contains 7 sub-basins and 20 units of hydrologic. In this basin area, from the entire environment descending, just a small part will enter into the river currents and the rest will be out of efficient usage by various ways. The most important surface current of this basin is Zayanderood River with 403 kilometers length which is originated from east slopes of Zagros mount and after draining of this basin area it will enter into Gaavkhooni pond. The existence of various sources and consumptions of water in Zayanderood basin, water transfer of the other basin areas into this basin, of course the contradiction between the upper and lower beneficiaries, the existence of worthwhile natural ecosystems such as Gaavkhooni swamp in this basin area and finally, the drought condition and lack of water in this area all necessitate the existence of comprehensive management of water sources in this central basin area of Iran as this method is a kind of management which considers the development and the management of water sources as an equilibrant way to increase the economical and social benefits. In this study, it is tried to survey the network of surface water sources of basin in upper and lower sections; at the most, according to the difficulties and deficiencies of an efficient management of water sources in this basin area, besides the difficulties of water draining and the destructive phenomenon of flood-water, the appropriate guidelines according to the region conditions are presented in order to prevent the deviation of water in upper sections and development of regions in lower sections of Zayanderood dam.

Keywords: Zayanderood Basin, Efficient Management, Hydrology Climate.

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Authors: Wenlong Liu, Yucheng Liu

Abstract:

This paper introduces the application of seismic wave method in earthquake prediction and early estimation. The advantages of the seismic wave method over the traditional earthquake prediction method are demonstrated. An example is presented in this study to show the accuracy and efficiency of using the seismic wave method in predicting a medium-sized earthquake swarm occurred in Wencheng, Zhejiang, China. By applying this method, correct predictions were made on the day after this earthquake swarm started and the day the maximum earthquake occurred, which provided scientific bases for governmental decision-making.

Keywords: earthquake prediction, earthquake swarm, seismicactivity method, seismic wave method, Wencheng earthquake

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Authors: Mu-Jen Young, Cheng-Yen Wu, Wen-Yuan Hsieh

Abstract:

Iron oxide nanoparticle was synthesized by reactive-precipitation method followed by high speed centrifuge and phase transfer in order to stabilized nanoparticles in the solvent. Particle size of SPIO was 8.2 nm by SEM, and the hydraulic radius was 17.5 nm by dynamic light scattering method. Coercivity and saturated magnetism were determined by VSM (vibrating sample magnetometer), coercivity of nanoparticle was lower than 10 Hc, and the saturated magnetism was higher than 65 emu/g. Stabilized SPIO was then transferred to aqueous phase by reacted with excess amount of poly (ethylene glycol) (PEG) silane. After filtration and dialysis, the SPIO T2 contrast agent was ready to use. The hydraulic radius of final product was about 70~100 nm, the relaxation rates R2 (1/T2) measured by magnetic resonance imaging (MRI) was larger than 200(sec-1).

Keywords: Contrast Agent, Iron Oxide Nanoparticle, Magnetic Resonance Imaging, Nanoparticle Stabilization

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Authors: P. Visutsak

Abstract:

The study of the interaction between humans and computers has been emerging during the last few years. This interaction will be more powerful if computers are able to perceive and respond to human nonverbal communication such as emotions. In this study, we present the image-based approach to emotion classification through lower facial expression. We employ a set of feature points in the lower face image according to the particular face model used and consider their motion across each emotive expression of images. The vector of displacements of all feature points input to the Adaptive Support Vector Machines (A-SVMs) classifier that classify it into seven basic emotions scheme, namely neutral, angry, disgust, fear, happy, sad and surprise. The system was tested on the Japanese Female Facial Expression (JAFFE) dataset of frontal view facial expressions [7]. Our experiments on emotion classification through lower facial expressions demonstrate the robustness of Adaptive SVM classifier and verify the high efficiency of our approach.

Keywords: emotion classification, facial expression, adaptive support vector machines, facial expression classifier.

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Authors: Foad Saadi, M. Jalali Azizpour, S.A. Zahedi

Abstract:

The objective of this paper is to present a comparative study of Homotopy Perturbation Method (HPM), Variational Iteration Method (VIM) and Homotopy Analysis Method (HAM) for the semi analytical solution of Kortweg-de Vries (KdV) type equation called KdV. The study have been highlighted the efficiency and capability of aforementioned methods in solving these nonlinear problems which has been arisen from a number of important physical phenomenon.

Keywords: Variational Iteration Method (VIM), HomotopyPerturbation Method (HPM), Homotopy Analysis Method (HAM), KdV Equation.

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Authors: Rabah Haoui

Abstract:

The aim of this work is to analyze a viscous flow around the axisymmetric blunt body taken into account the mesh size both in the free stream and into the boundary layer. The resolution of the Navier-Stokes equations is realized by using the finite volume method to determine the flow parameters and detached shock position. The numerical technique uses the Flux Vector Splitting method of Van Leer. Here, adequate time stepping parameter, CFL coefficient and mesh size level are selected to ensure numerical convergence. The effect of the mesh size is significant on the shear stress and velocity profile. The best solution is obtained with using a very fine grid. This study enabled us to confirm that the determination of boundary layer thickness can be obtained only if the size of the mesh is lower than a certain value limits given by our calculations.

Keywords: Supersonic flow, viscous flow, finite volume, blunt body.

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Authors: Arash Karimipour, A. Hossein Nezhad, E. Shirani, A. Safaei

Abstract:

In this paper, Lattice Boltzmann Method (LBM) is used to study laminar flow with mixed convection heat transfer inside a two-dimensional inclined lid-driven rectangular cavity with aspect ratio AR = 3. Bottom wall of the cavity is maintained at lower temperature than the top lid, and its vertical walls are assumed insulated. Top lid motion results in fluid motion inside the cavity. Inclination of the cavity causes horizontal and vertical components of velocity to be affected by buoyancy force. To include this effect, calculation procedure of macroscopic properties by LBM is changed and collision term of Boltzmann equation is modified. A computer program is developed to simulate this problem using BGK model of lattice Boltzmann method. The effects of the variations of Richardson number and inclination angle on the thermal and flow behavior of the fluid inside the cavity are investigated. The results are presented as velocity and temperature profiles, stream function contours and isotherms. It is concluded that LBM has good potential to simulate mixed convection heat transfer problems.

Keywords: gravity, inclined lid driven cavity, lattice Boltzmannmethod, mixed convection.

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Authors: O. Zarrin, M. Ramezan Shirazi

Abstract:

The quality of concrete is usually defined by compressive strength, but flexural strength is the most important characteristic of concrete in a pavement which control the mix design of concrete instead of compressive strength. Therefore, the aggregates which are selected for the pavements are affected by higher flexural strength. Roller Compacting Concrete Pavement (RCCP) is not a new construction method. The other characteristic of this method is no bleeding and less shrinkage due to the lower amount of water. For this purpose, a roller is needed for placing and compacting. The surface of RCCP is not smooth; therefore, the most common use of this pavement is in an industrial zone with slower traffic speed which requires durable and tough pavement. For preparing a smoother surface, it can be achieved by asphalt paver. RCCP decrease the finishing cost because there are no bars, formwork, and the lesser labor need for placing the concrete. In this paper, different aspect of RCCP such as mix design, flexural, compressive strength and focus on the different part of RCCP on detail have been investigated.

Keywords: Flexural Strength, Compressive Strength, Pavement, Asphalt.

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Authors: Guangbin Wang, Deyu Sun, Fuping Tan

Abstract:

In this paper, we present new preconditioned modified accelerated overrelaxation (MAOR) method for solving linear systems. We compare the spectral radii of the iteration matrices of the preconditioned and the original methods. The comparison results show that the preconditioned MAOR method converges faster than the MAOR method whenever the MAOR method is convergent. Finally, we give one numerical example to confirm our theoretical results.

Keywords: preconditioned, MAOR method, linear system, convergence, comparison.

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Authors: Hemanth KumarA.R, Sudhakara G., Satyanarayana B.S.

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The Cluster Dimension of a network is defined as, which is the minimum cardinality of a subset S of the set of nodes having the property that for any two distinct nodes x and y, there exist the node Si, s2 (need not be distinct) in S such that ld(x,s1) — d(y, s1)1 > 1 and d(x,s2) < d(x,$) for all s E S — {s2}. In this paper, strictly non overlap¬ping clusters are constructed. The concept of LandMarks for Unique Addressing and Clustering (LMUAC) routing scheme is developed. With the help of LMUAC routing scheme, It is shown that path length (upper bound)PLN,d < PLD, Maximum memory space requirement for the networkMSLmuAc(Az) < MSEmuAc < MSH3L < MSric and Maximum Link utilization factor MLLMUAC(i=3) < MLLMUAC(z03) < M Lc

Keywords: Metric dimension, Cluster dimension, Cluster.

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Authors: Aleš Florian, Lenka Ševelová, Jaroslav Žák

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Formation of tensile cracks in concrete slabs of rigid pavement can be (among others) the initiation point of the other, more serious failures which can ultimately lead to complete degradation of the concrete slab and thus the whole pavement. Two measures can be used for reliability assessment of this phenomenon - the probability of failure and/or the reliability index. Different methods can be used for their calculation. The simple ones are called moment methods and simulation techniques. Two methods - FOSM Method and Simple Random Sampling Method - are verified and their comparison is performed. The influence of information about the probability distribution and the statistical parameters of input variables as well as of the limit state function on the calculated reliability index and failure probability are studied in three points on the lower surface of concrete slabs of the older type of rigid pavement formerly used in the Czech Republic.

Keywords: Failure, pavement, probability, reliability index, simulation, tensile crack.

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Authors: M. Asato, C. Liu, N. Fujima, T. Hoshino, Y. Chen, T. Mohri

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We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: Full-potential KKR-Green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect.

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