Search results for: Padé approximation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 514

Search results for: Padé approximation

514 The Analysis of a Reactive Hydromagnetic Internal Heat Generating Poiseuille Fluid Flow through a Channel

Authors: Anthony R. Hassan, Jacob A. Gbadeyan

Abstract:

In this paper, the analysis of a reactive hydromagnetic Poiseuille fluid flow under each of sensitized, Arrhenius and bimolecular chemical kinetics through a channel in the presence of heat source is carried out. An exothermic reaction is assumed while the concentration of the material is neglected. Adomian Decomposition Method (ADM) together with Pade Approximation is used to obtain the solutions of the governing nonlinear non – dimensional differential equations. Effects of various physical parameters on the velocity and temperature fields of the fluid flow are investigated. The entropy generation analysis and the conditions for thermal criticality are also presented.

Keywords: chemical kinetics, entropy generation, thermal criticality, adomian decomposition method (ADM) and pade approximation

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513 High Accuracy Analytic Approximation for Special Functions Applied to Bessel Functions J₀(x) and Its Zeros

Authors: Fernando Maass, Pablo Martin, Jorge Olivares

Abstract:

The Bessel function J₀(x) is very important in Electrodynamics and Physics, as well as its zeros. In this work, a method to obtain high accuracy approximation is presented through an application to that function. In most of the applications of this function, the values of the zeros are very important. In this work, analytic approximations for this function have been obtained valid for all positive values of the variable x, which have high accuracy for the function as well as for the zeros. The approximation is determined by the simultaneous used of the power series and asymptotic expansion. The structure of the approximation is a combination of two rational functions with elementary functions as trigonometric and fractional powers. Here us in Pade method, rational functions are used, but now there combined with elementary functions us fractional powers hyperbolic or trigonometric functions, and others. The reason of this is that now power series of the exact function are used, but together with the asymptotic expansion, which usually includes fractional powers trigonometric functions and other type of elementary functions. The approximation must be a bridge between both expansions, and this can not be accomplished using only with rational functions. In the simplest approximation using 4 parameters the maximum absolute error is less than 0.006 at x ∼ 4.9. In this case also the maximum relative error for the zeros is less than 0.003 which is for the second zero, but that value decreases rapidly for the other zeros. The same kind of behaviour happens for the relative error of the maximum and minimum of the functions. Approximations with higher accuracy and more parameters will be also shown. All the approximations are valid for any positive value of x, and they can be calculated easily.

Keywords: analytic approximations, asymptotic approximations, Bessel functions, quasirational approximations

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512 Approximation Property Pass to Free Product

Authors: Kankeyanathan Kannan

Abstract:

On approximation properties of group C* algebras is everywhere; it is powerful, important, backbone of countless breakthroughs. For a discrete group G, let A(G) denote its Fourier algebra, and let M₀A(G) denote the space of completely bounded Fourier multipliers on G. An approximate identity on G is a sequence (Φn) of finitely supported functions such that (Φn) uniformly converge to constant function 1 In this paper we prove that approximation property pass to free product.

Keywords: approximation property, weakly amenable, strong invariant approximation property, invariant approximation property

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511 Analytical Design of IMC-PID Controller for Ideal Decoupling Embedded in Multivariable Smith Predictor Control System

Authors: Le Hieu Giang, Truong Nguyen Luan Vu, Le Linh

Abstract:

In this paper, the analytical tuning rules of IMC-PID controller are presented for the multivariable Smith predictor that involved the ideal decoupling. Accordingly, the decoupler is first introduced into the multivariable Smith predictor control system by a well-known approach of ideal decoupling, which is compactly extended for general nxn multivariable processes and the multivariable Smith predictor controller is then obtained in terms of the multiple single-loop Smith predictor controllers. The tuning rules of PID controller in series with filter are found by using Maclaurin approximation. Many multivariable industrial processes are employed to demonstrate the simplicity and effectiveness of the presented method. The simulation results show the superior performances of presented method in compared with the other methods.

Keywords: ideal decoupler, IMC-PID controller, multivariable smith predictor, Padé approximation

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510 Numerical Evolution Methods of Rational Form for Diffusion Equations

Authors: Said Algarni

Abstract:

The purpose of this study was to investigate selected numerical methods that demonstrate good performance in solving PDEs. We adapted alternative method that involve rational polynomials. Padé time stepping (PTS) method, which is highly stable for the purposes of the present application and is associated with lower computational costs, was applied. Furthermore, PTS was modified for our study which focused on diffusion equations. Numerical runs were conducted to obtain the optimal local error control threshold.

Keywords: Padé time stepping, finite difference, reaction diffusion equation, PDEs

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509 Caputo-Type Fuzzy Fractional Riccati Differential Equations with Fuzzy Initial Conditions

Authors: Trilok Mathur, Shivi Agarwal

Abstract:

This paper deals with the solutions of fuzzy-fractional-order Riccati equations under Caputo-type fuzzy fractional derivatives. The Caputo-type fuzzy fractional derivatives are defined based on Hukuhura difference and strongly generalized fuzzy differentiability. The Laplace-Adomian-Pade method is used for solving fractional Riccati-type initial value differential equations of fractional order. Moreover, we also displayed some examples to illustrate our methods.

Keywords: Caputo-type fuzzy fractional derivative, Fractional Riccati differential equations, Laplace-Adomian-Pade method, Mittag Leffler function

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508 Modified Approximation Methods for Finding an Optimal Solution for the Transportation Problem

Authors: N. Guruprasad

Abstract:

This paper presents a modification of approximation method for transportation problems. The initial basic feasible solution can be computed using either Russel's or Vogel's approximation methods. Russell’s approximation method provides another excellent criterion that is still quick to implement on a computer (not manually) In most cases Russel's method yields a better initial solution, though it takes longer than Vogel's method (finding the next entering variable in Russel's method is in O(n1*n2), and in O(n1+n2) for Vogel's method). However, Russel's method normally has a lesser total running time because less pivots are required to reach the optimum for all but small problem sizes (n1+n2=~20). With this motivation behind we have incorporated a variation of the same – what we have proposed it has TMC (Total Modified Cost) to obtain fast and efficient solutions.

Keywords: computation, efficiency, modified cost, Russell’s approximation method, transportation, Vogel’s approximation method

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507 Constant Factor Approximation Algorithm for p-Median Network Design Problem with Multiple Cable Types

Authors: Chaghoub Soraya, Zhang Xiaoyan

Abstract:

This research presents the first constant approximation algorithm to the p-median network design problem with multiple cable types. This problem was addressed with a single cable type and there is a bifactor approximation algorithm for the problem. To the best of our knowledge, the algorithm proposed in this paper is the first constant approximation algorithm for the p-median network design with multiple cable types. The addressed problem is a combination of two well studied problems which are p-median problem and network design problem. The introduced algorithm is a random sampling approximation algorithm of constant factor which is conceived by using some random sampling techniques form the literature. It is based on a redistribution Lemma from the literature and a steiner tree problem as a subproblem. This algorithm is simple, and it relies on the notions of random sampling and probability. The proposed approach gives an approximation solution with one constant ratio without violating any of the constraints, in contrast to the one proposed in the literature. This paper provides a (21 + 2)-approximation algorithm for the p-median network design problem with multiple cable types using random sampling techniques.

Keywords: approximation algorithms, buy-at-bulk, combinatorial optimization, network design, p-median

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506 Approximation of the Time Series by Fractal Brownian Motion

Authors: Valeria Bondarenko

Abstract:

In this paper, we propose two problems related to fractal Brownian motion. First problem is simultaneous estimation of two parameters, Hurst exponent and the volatility, that describe this random process. Numerical tests for the simulated fBm provided an efficient method. Second problem is approximation of the increments of the observed time series by a power function by increments from the fractional Brownian motion. Approximation and estimation are shown on the example of real data, daily deposit interest rates.

Keywords: fractional Brownian motion, Gausssian processes, approximation, time series, estimation of properties of the model

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505 Approximation of Periodic Functions Belonging to Lipschitz Classes by Product Matrix Means of Fourier Series

Authors: Smita Sonker, Uaday Singh

Abstract:

Various investigators have determined the degree of approximation of functions belonging to the classes W(L r , ξ(t)), Lip(ξ(t), r), Lip(α, r), and Lipα using different summability methods with monotonocity conditions. Recently, Lal has determined the degree of approximation of the functions belonging to Lipα and W(L r , ξ(t)) classes by using Ces`aro-N¨orlund (C 1 .Np)- summability with non-increasing weights {pn}. In this paper, we shall determine the degree of approximation of 2π - periodic functions f belonging to the function classes Lipα and W(L r , ξ(t)) by C 1 .T - means of Fourier series of f. Our theorems generalize the results of Lal and we also improve these results in the light off. From our results, we also derive some corollaries.

Keywords: Lipschitz classes, product matrix operator, signals, trigonometric Fourier approximation

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504 High-Pressure Calculations of the Elastic Properties of ZnSx Se 1−x Alloy in the Virtual-Crystal Approximation

Authors: N. Lebga, Kh. Bouamama, K. Kassali

Abstract:

We report first-principles calculation results on the structural and elastic properties of ZnS x Se1−x alloy for which we employed the virtual crystal approximation provided with the ABINIT program. The calculations done using density functional theory within the local density approximation and employing the virtual-crystal approximation, we made a comparative study between the numerical results obtained from ab-initio calculation using ABINIT or Wien2k within the Density Functional Theory framework with either Local Density Approximation or Generalized Gradient approximation and the pseudo-potential plane-wave method with the Hartwigzen Goedecker Hutter scheme potentials. It is found that the lattice parameter, the phase transition pressure, and the elastic constants (and their derivative with respect to the pressure) follow a quadratic law in x. The variation of the elastic constants is also numerically studied and the phase transformations are discussed in relation to the mechanical stability criteria.

Keywords: density functional theory, elastic properties, ZnS, ZnSe,

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503 Approximation of Convex Set by Compactly Semidefinite Representable Set

Authors: Anusuya Ghosh, Vishnu Narayanan

Abstract:

The approximation of convex set by semidefinite representable set plays an important role in semidefinite programming, especially in modern convex optimization. To optimize a linear function over a convex set is a hard problem. But optimizing the linear function over the semidefinite representable set which approximates the convex set is easy to solve as there exists numerous efficient algorithms to solve semidefinite programming problems. So, our approximation technique is significant in optimization. We develop a technique to approximate any closed convex set, say K by compactly semidefinite representable set. Further we prove that there exists a sequence of compactly semidefinite representable sets which give tighter approximation of the closed convex set, K gradually. We discuss about the convergence of the sequence of compactly semidefinite representable sets to closed convex set K. The recession cone of K and the recession cone of the compactly semidefinite representable set are equal. So, we say that the sequence of compactly semidefinite representable sets converge strongly to the closed convex set. Thus, this approximation technique is very useful development in semidefinite programming.

Keywords: semidefinite programming, semidefinite representable set, compactly semidefinite representable set, approximation

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502 Approximation of Analytic Functions of Several Variables by Linear K-Positive Operators in the Closed Domain

Authors: Tulin Coskun

Abstract:

We investigate the approximation of analytic functions of several variables in polydisc by the sequences of linear k-positive operators in Gadjiev sence. The approximation of analytic functions of complex variable by linear k-positive operators was tackled, and k-positive operators and formulated theorems of Korovkin's type for these operators in the space of analytic functions on the unit disc were introduced in the past. Recently, very general results on convergence of the sequences of linear k-positive operators on a simply connected bounded domain within the space of analytic functions were proved. In this presentation, we extend some of these results to the approximation of analytic functions of several complex variables by sequences of linear k-positive operators.

Keywords: analytic functions, approximation of analytic functions, Linear k-positive operators, Korovkin type theorems

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501 Degree of Approximation of Functions by Product Means

Authors: Hare Krishna Nigam

Abstract:

In this paper, for the first time, (E,q)(C,2) product summability method is introduced and two quite new results on degree of approximation of the function f belonging to Lip (alpha,r)class and W(L(r), xi(t)) class by (E,q)(C,2) product means of Fourier series, has been obtained.

Keywords: Degree of approximation, (E, q)(C, 2) means, Fourier series, Lebesgue integral, Lip (alpha, r)class, W(L(r), xi(t))class of functions

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500 Approximation to the Hardy Operator on Topological Measure Spaces

Authors: Kairat T. Mynbaev, Elena N. Lomakina

Abstract:

We consider a Hardy-type operator generated by a family of open subsets of a Hausdorff topological space. The family is indexed with non-negative real numbers and is totally ordered. For this operator, we obtain two-sided bounds of its norm, a compactness criterion, and bounds for its approximation numbers. Previously, bounds for its approximation numbers have been established only in the one-dimensional case, while we do not impose any restrictions on the dimension of the Hausdorff space. The bounds for the norm and conditions for compactness earlier have been found using different methods by G. Sinnamon and K. Mynbaev. Our approach is different in that we use domain partitions for all problems under consideration.

Keywords: approximation numbers, boundedness and compactness, multidimensional Hardy operator, Hausdorff topological space

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499 Degree of Approximation by the (T.E^1) Means of Conjugate Fourier Series in the Hölder Metric

Authors: Kejal Khatri, Vishnu Narayan Mishra

Abstract:

We compute the degree of approximation of functions\tilde{f}\in H_w, a new Banach space using (T.E^1) summability means of conjugate Fourier series. In this paper, we extend the results of Singh and Mahajan which in turn generalizes the result of Lal and Yadav. Some corollaries have also been deduced from our main theorem and particular cases.

Keywords: conjugate Fourier series, degree of approximation, Hölder metric, matrix summability, product summability

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498 On Modeling Data Sets by Means of a Modified Saddlepoint Approximation

Authors: Serge B. Provost, Yishan Zhang

Abstract:

A moment-based adjustment to the saddlepoint approximation is introduced in the context of density estimation. First applied to univariate distributions, this methodology is extended to the bivariate case. It then entails estimating the density function associated with each marginal distribution by means of the saddlepoint approximation and applying a bivariate adjustment to the product of the resulting density estimates. The connection to the distribution of empirical copulas will be pointed out. As well, a novel approach is proposed for estimating the support of distribution. As these results solely rely on sample moments and empirical cumulant-generating functions, they are particularly well suited for modeling massive data sets. Several illustrative applications will be presented.

Keywords: empirical cumulant-generating function, endpoints identification, saddlepoint approximation, sample moments, density estimation

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497 Degree of Approximation of Functions Conjugate to Periodic Functions Belonging to Lipschitz Classes by Product Matrix Means

Authors: Smita Sonker

Abstract:

Various investigators have determined the degree of approximation of conjugate signals (functions) of functions belonging to different classes Lipα, Lip(α,p), Lip(ξ(t),p), W(Lr,ξ(t), (β ≥ 0)) by matrix summability means, lower triangular matrix operator, product means (i.e. (C,1)(E,1), (C,1)(E,q), (E,q)(C,1) (N,p,q)(E,1), and (E,q)(N,pn) of their conjugate trigonometric Fourier series. In this paper, we shall determine the degree of approximation of 2π-periodic function conjugate functions of f belonging to the function classes Lipα and W(Lr; ξ(t); (β ≥ 0)) by (C1.T) -means of their conjugate trigonometric Fourier series. On the other hand, we shall review above-mentioned work in the light of Lenski.

Keywords: signals, trigonometric fourier approximation, class W(L^r, \xi(t), conjugate fourier series

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496 Orthogonal Basis Extreme Learning Algorithm and Function Approximation

Authors: Ying Li, Yan Li

Abstract:

A new algorithm for single hidden layer feedforward neural networks (SLFN), Orthogonal Basis Extreme Learning (OBEL) algorithm, is proposed and the algorithm derivation is given in the paper. The algorithm can decide both the NNs parameters and the neuron number of hidden layer(s) during training while providing extreme fast learning speed. It will provide a practical way to develop NNs. The simulation results of function approximation showed that the algorithm is effective and feasible with good accuracy and adaptability.

Keywords: neural network, orthogonal basis extreme learning, function approximation

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495 Active Linear Quadratic Gaussian Secondary Suspension Control of Flexible Bodied Railway Vehicle

Authors: Kaushalendra K. Khadanga, Lee Hee Hyol

Abstract:

Passenger comfort has been paramount in the design of suspension systems of high speed cars. To analyze the effect of vibration on vehicle ride quality, a vertical model of a six degree of freedom railway passenger vehicle, with front and rear suspension, is built. It includes car body flexible effects and vertical rigid modes. A second order linear shaping filter is constructed to model Gaussian white noise into random rail excitation. The temporal correlation between the front and rear wheels is given by a second order Pade approximation. The complete track and the vehicle model are then designed. An active secondary suspension system based on a Linear Quadratic Gaussian (LQG) optimal control method is designed. The results show that the LQG control method reduces the vertical acceleration, pitching acceleration and vertical bending vibration of the car body as compared to the passive system.

Keywords: active suspension, bending vibration, railway vehicle, vibration control

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494 Structural and Electronic Properties of the Rock-salt BaxSr1−xS Alloys

Authors: B. Bahloul, K. Babesse, A. Dkhira, Y. Bahloul, L. Amirouche

Abstract:

Structural and electronic properties of the rock-salt BaxSr1−xS are calculated using the first-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation (GGA), the local density approximation (LDA) and the virtual-crystal approximation (VCA). The calculated lattice parameters at equilibrium volume for x=0 and x=1 are in good agreement with the literature data. The BaxSr1−xS alloys are found to be an indirect band gap semiconductor. Moreoever, for the composition (x) ranging between [0-1], we think that our results are well discussed and well predicted.

Keywords: semiconductor, Ab initio calculations, rocksalt, band structure, BaxSr1−xS

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493 An Optimized RDP Algorithm for Curve Approximation

Authors: Jean-Pierre Lomaliza, Kwang-Seok Moon, Hanhoon Park

Abstract:

It is well-known that Ramer Douglas Peucker (RDP) algorithm greatly depends on the method of choosing starting points. Therefore, this paper focuses on finding such starting points that will optimize the results of RDP algorithm. Specifically, this paper proposes a curve approximation algorithm that finds flat points, called essential points, of an input curve, divides the curve into corner-like sub-curves using the essential points, and applies the RDP algorithm to the sub-curves. The number of essential points play a role on optimizing the approximation results by balancing the degree of shape information loss and the amount of data reduction. Through experiments with curves of various types and complexities of shape, we compared the performance of the proposed algorithm with three other methods, i.e., the RDP algorithm itself and its variants. As a result, the proposed algorithm outperformed the others in term of maintaining the original shapes of the input curve, which is important in various applications like pattern recognition.

Keywords: curve approximation, essential point, RDP algorithm

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492 Polynomially Adjusted Bivariate Density Estimates Based on the Saddlepoint Approximation

Authors: S. B. Provost, Susan Sheng

Abstract:

An alternative bivariate density estimation methodology is introduced in this presentation. The proposed approach involves estimating the density function associated with the marginal distribution of each of the two variables by means of the saddlepoint approximation technique and applying a bivariate polynomial adjustment to the product of these density estimates. Since the saddlepoint approximation is utilized in the context of density estimation, such estimates are determined from empirical cumulant-generating functions. In the univariate case, the saddlepoint density estimate is itself adjusted by a polynomial. Given a set of observations, the coefficients of the polynomial adjustments are obtained from the sample moments. Several illustrative applications of the proposed methodology shall be presented. Since this approach relies essentially on a determinate number of sample moments, it is particularly well suited for modeling massive data sets.

Keywords: density estimation, empirical cumulant-generating function, moments, saddlepoint approximation

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491 The Profit Trend of Cosmetics Products Using Bootstrap Edgeworth Approximation

Authors: Edlira Donefski, Lorenc Ekonomi, Tina Donefski

Abstract:

Edgeworth approximation is one of the most important statistical methods that has a considered contribution in the reduction of the sum of standard deviation of the independent variables’ coefficients in a Quantile Regression Model. This model estimates the conditional median or other quantiles. In this paper, we have applied approximating statistical methods in an economical problem. We have created and generated a quantile regression model to see how the profit gained is connected with the realized sales of the cosmetic products in a real data, taken from a local business. The Linear Regression of the generated profit and the realized sales was not free of autocorrelation and heteroscedasticity, so this is the reason that we have used this model instead of Linear Regression. Our aim is to analyze in more details the relation between the variables taken into study: the profit and the finalized sales and how to minimize the standard errors of the independent variable involved in this study, the level of realized sales. The statistical methods that we have applied in our work are Edgeworth Approximation for Independent and Identical distributed (IID) cases, Bootstrap version of the Model and the Edgeworth approximation for Bootstrap Quantile Regression Model. The graphics and the results that we have presented here identify the best approximating model of our study.

Keywords: bootstrap, edgeworth approximation, IID, quantile

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490 Improved Pitch Detection Using Fourier Approximation Method

Authors: Balachandra Kumaraswamy, P. G. Poonacha

Abstract:

Automatic Music Information Retrieval has been one of the challenging topics of research for a few decades now with several interesting approaches reported in the literature. In this paper we have developed a pitch extraction method based on a finite Fourier series approximation to the given window of samples. We then estimate pitch as the fundamental period of the finite Fourier series approximation to the given window of samples. This method uses analysis of the strength of harmonics present in the signal to reduce octave as well as harmonic errors. The performance of our method is compared with three best known methods for pitch extraction, namely, Yin, Windowed Special Normalization of the Auto-Correlation Function and Harmonic Product Spectrum methods of pitch extraction. Our study with artificially created signals as well as music files show that Fourier Approximation method gives much better estimate of pitch with less octave and harmonic errors.

Keywords: pitch, fourier series, yin, normalization of the auto- correlation function, harmonic product, mean square error

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489 Particle Swarm Optimization and Quantum Particle Swarm Optimization to Multidimensional Function Approximation

Authors: Diogo Silva, Fadul Rodor, Carlos Moraes

Abstract:

This work compares the results of multidimensional function approximation using two algorithms: the classical Particle Swarm Optimization (PSO) and the Quantum Particle Swarm Optimization (QPSO). These algorithms were both tested on three functions - The Rosenbrock, the Rastrigin, and the sphere functions - with different characteristics by increasing their number of dimensions. As a result, this study shows that the higher the function space, i.e. the larger the function dimension, the more evident the advantages of using the QPSO method compared to the PSO method in terms of performance and number of necessary iterations to reach the stop criterion.

Keywords: PSO, QPSO, function approximation, AI, optimization, multidimensional functions

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488 The Modelling of Real Time Series Data

Authors: Valeria Bondarenko

Abstract:

We proposed algorithms for: estimation of parameters fBm (volatility and Hurst exponent) and for the approximation of random time series by functional of fBm. We proved the consistency of the estimators, which constitute the above algorithms, and proved the optimal forecast of approximated time series. The adequacy of estimation algorithms, approximation, and forecasting is proved by numerical experiment. During the process of creating software, the system has been created, which is displayed by the hierarchical structure. The comparative analysis of proposed algorithms with the other methods gives evidence of the advantage of approximation method. The results can be used to develop methods for the analysis and modeling of time series describing the economic, physical, biological and other processes.

Keywords: mathematical model, random process, Wiener process, fractional Brownian motion

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487 Localising Gauss’s Law and the Electric Charge Induction on a Conducting Sphere

Authors: Sirapat Lookrak, Anol Paisal

Abstract:

Space debris has numerous manifestations, including ferro-metalize and non-ferrous. The electric field will induce negative charges to split from positive charges inside the space debris. In this research, we focus only on conducting materials. The assumption is that the electric charge density of a conducting surface is proportional to the electric field on that surface due to Gauss's Law. We are trying to find the induced charge density from an external electric field perpendicular to a conducting spherical surface. An object is a sphere on which the external electric field is not uniform. The electric field is, therefore, considered locally. The localised spherical surface is a tangent plane, so the Gaussian surface is a very small cylinder, and every point on a spherical surface has its own cylinder. The electric field from a circular electrode has been calculated in near-field and far-field approximation and shown Explanation Touchless maneuvering space debris orbit properties. The electric charge density calculation from a near-field and far-field approximation is done.

Keywords: near-field approximation, far-field approximation, localized Gauss’s law, electric charge density

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486 Approximation by Generalized Lupaş-Durrmeyer Operators with Two Parameter α and β

Authors: Preeti Sharma

Abstract:

This paper deals with the Stancu type generalization of Lupaş-Durrmeyer operators. We establish some direct results in the polynomial weighted space of continuous functions defined on the interval [0, 1]. Also, Voronovskaja type theorem is studied.

Keywords: Lupas-Durrmeyer operators, polya distribution, weighted approximation, rate of convergence, modulus of continuity

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485 Ab Initio Calculation of Fundamental Properties of CaxMg1-xA (a = Se and Te) Alloys in the Rock-Salt Structure

Authors: M. A. Ghebouli, H. Choutri, B. Ghebouli , M. Fatmi, L. Louail

Abstract:

We employed the density-functional perturbation theory (DFPT) within the generalized gradient approximation (GGA), the local density approximation (LDA) and the virtual-crystal approximation (VCA) to study the effect of composition on the structure, stability, energy gaps, electron effective mass, the dynamic effective charge, optical and acoustical phonon frequencies and static and high dielectric constants of the rock-salt CaxMg1-xSe and CaxMg1-xTe alloys. The computed equilibrium lattice constant and bulk modulus show an important deviation from the linear concentration. From the Voigt-Reuss-Hill approximation, CaxMg1-xSe and CaxMg1-xTe present lower stiffness and lateral expansion. For Ca content ranging between 0.25-0.75, the elastic constants, energy gaps, electron effective mass and dynamic effective charge are predictions. The elastic constants and computed phonon dispersion curves indicate that these alloys are mechanically stable.

Keywords: CaxMg1-xSe, CaxMg1-xTe, band structure, phonon

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