Search results for: local linear approximation method
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 24772

Search results for: local linear approximation method

24712 Second Order Analysis of Frames Using Modified Newmark Method

Authors: Seyed Amin Vakili, Sahar Sadat Vakili, Seyed Ehsan Vakili, Nader Abdoli Yazdi

Abstract:

The main purpose of this paper is to present the Modified Newmark Method as a method of non-linear frame analysis by considering the effect of the axial load (second order analysis). The discussion will be restricted to plane frameworks containing a constant cross-section for each element. In addition, it is assumed that the frames are prevented from out-of-plane deflection. This part of the investigation is performed to generalize the established method for the assemblage structures such as frameworks. As explained, the governing differential equations are non-linear and cannot be formulated easily due to unknown axial load of the struts in the frame. By the assumption of constant axial load, the governing equations are changed to linear ones in most methods. Since the modeling and the solutions of the non-linear form of the governing equations are cumbersome, the linear form of the equations would be used in the established method. However, according to the ability of the method to reconsider the minor omitted parameters in modeling during the solution procedure, the axial load in the elements at each stage of the iteration can be computed and applied in the next stage. Therefore, the ability of the method to present an accurate approach to the solutions of non-linear equations will be demonstrated again in this paper.

Keywords: nonlinear, stability, buckling, modified newmark method

Procedia PDF Downloads 387
24711 Geometrically Non-Linear Axisymmetric Free Vibration Analysis of Functionally Graded Annular Plates

Authors: Boutahar Lhoucine, El Bikri Khalid, Benamar Rhali

Abstract:

In this paper, the non-linear free axisymmetric vibration of a thin annular plate made of functionally graded material (FGM) has been studied by using the energy method and a multimode approach. FGM properties vary continuously as well as non-homogeneity through the thickness direction of the plate. The theoretical model is based on the classical plate theory and the Von Kármán geometrical non-linearity assumptions. An approximation has been adopted in the present work consisting of neglecting the in-plane deformation in the formulation. Hamilton’s principle is used to derive the governing equation of motion. The problem is solved by a numerical iterative procedure in order to obtain more accurate results for vibration amplitudes up to 1.5 times the plate thickness. The numerical results are given for the first axisymmetric non-linear mode shape for a wide range of vibration amplitudes and they are presented either in tabular form or in graphical form to show the effect that the vibration amplitude and the variation in material properties have significant effects on the frequencies and the bending stresses in large amplitude vibration of the functionally graded annular plate.

Keywords: non-linear vibrations, annular plates, large amplitudes, functionally graded material

Procedia PDF Downloads 338
24710 Starting Order Eight Method Accurately for the Solution of First Order Initial Value Problems of Ordinary Differential Equations

Authors: James Adewale, Joshua Sunday

Abstract:

In this paper, we developed a linear multistep method, which is implemented in predictor corrector-method. The corrector is developed by method of collocation and interpretation of power series approximate solutions at some selected grid points, to give a continuous linear multistep method, which is evaluated at some selected grid points to give a discrete linear multistep method. The predictors were also developed by method of collocation and interpolation of power series approximate solution, to give a continuous linear multistep method. The continuous linear multistep method is then solved for the independent solution to give a continuous block formula, which is evaluated at some selected grid point to give discrete block method. Basic properties of the corrector were investigated and found to be zero stable, consistent and convergent. The efficiency of the method was tested on some linear, non-learn, oscillatory and stiff problems of first order, initial value problems of ordinary differential equations. The results were found to be better in terms of computer time and error bound when compared with the existing methods.

Keywords: predictor, corrector, collocation, interpolation, approximate solution, independent solution, zero stable, consistent, convergent

Procedia PDF Downloads 472
24709 System of Linear Equations, Gaussian Elimination

Authors: Rabia Khan, Nargis Munir, Suriya Gharib, Syeda Roshana Ali

Abstract:

In this paper linear equations are discussed in detail along with elimination method. Gaussian elimination and Gauss Jordan schemes are carried out to solve the linear system of equation. This paper comprises of matrix introduction, and the direct methods for linear equations. The goal of this research was to analyze different elimination techniques of linear equations and measure the performance of Gaussian elimination and Gauss Jordan method, in order to find their relative importance and advantage in the field of symbolic and numeric computation. The purpose of this research is to revise an introductory concept of linear equations, matrix theory and forms of Gaussian elimination through which the performance of Gauss Jordan and Gaussian elimination can be measured.

Keywords: direct, indirect, backward stage, forward stage

Procedia PDF Downloads 557
24708 Analytical Solutions for Corotational Maxwell Model Fluid Arising in Wire Coating inside a Canonical Die

Authors: Muhammad Sohail Khan, Rehan Ali Shah

Abstract:

The present paper applies the optimal homotopy perturbation method (OHPM) and the optimal homotopy asymptotic method (OHAM) introduced recently to obtain analytic approximations of the non-linear equations modeling the flow of polymer in case of wire coating of a corotational Maxwell fluid. Expression for the velocity field is obtained in non-dimensional form. Comparison of the results obtained by the two methods at different values of non-dimensional parameter l10, reveal that the OHPM is more effective and easy to use. The OHPM solution can be improved even working in the same order of approximation depends on the choices of the auxiliary functions.

Keywords: corotational Maxwell model, optimal homotopy asymptotic method, optimal homotopy perturbation method, wire coating die

Procedia PDF Downloads 313
24707 Application of GeoGebra into Teaching and Learning of Linear and Quadratic Equations amongst Senior Secondary School Students in Fagge Local Government Area of Kano State, Nigeria

Authors: Musa Auwal Mamman, S. G. Isa

Abstract:

This study was carried out in order to investigate the effectiveness of GeoGebra software in teaching and learning of linear and quadratic equations amongst senior secondary school students in Fagge Local Government Area, Kano State–Nigeria. Five research items were raised in objectives, research questions and hypotheses respectively. A random sampling method was used in selecting 398 students from a population of 2098 of SS2 students. The experimental group was taught using the GeoGebra software while the control group was taught using the conventional teaching method. The instrument used for the study was the mathematics performance test (MPT) which was administered at the beginning and at the end of the study. The results of the study revealed that students taught with GeoGebra software (experimental group) performed better than students taught with traditional teaching method. The t- test was used to analyze the data obtained from the study.

Keywords: GeoGebra Software, mathematics performance, random sampling, mathematics teaching

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24706 Constant Order Predictor Corrector Method for the Solution of Modeled Problems of First Order IVPs of ODEs

Authors: A. A. James, A. O. Adesanya, M. R. Odekunle, D. G. Yakubu

Abstract:

This paper examines the development of one step, five hybrid point method for the solution of first order initial value problems. We adopted the method of collocation and interpolation of power series approximate solution to generate a continuous linear multistep method. The continuous linear multistep method was evaluated at selected grid points to give the discrete linear multistep method. The method was implemented using a constant order predictor of order seven over an overlapping interval. The basic properties of the derived corrector was investigated and found to be zero stable, consistent and convergent. The region of absolute stability was also investigated. The method was tested on some numerical experiments and found to compete favorably with the existing methods.

Keywords: interpolation, approximate solution, collocation, differential system, half step, converges, block method, efficiency

Procedia PDF Downloads 309
24705 Bipolar Impulse Noise Removal and Edge Preservation in Color Images and Video Using Improved Kuwahara Filter

Authors: Reji Thankachan, Varsha PS

Abstract:

Both image capturing devices and human visual systems are nonlinear. Hence nonlinear filtering methods outperforms its linear counterpart in many applications. Linear methods are unable to remove impulsive noise in images by preserving its edges and fine details. In addition, linear algorithms are unable to remove signal dependent or multiplicative noise in images. This paper presents an approach to denoise and smoothen the Bipolar impulse noised images and videos using improved Kuwahara filter. It involves a 2 stage algorithm which includes a noise detection followed by filtering. Numerous simulation demonstrate that proposed method outperforms the existing method by eliminating the painting like flattening effect along the local feature direction while preserving edge with improvement in PSNR and MSE.

Keywords: bipolar impulse noise, Kuwahara, PSNR MSE, PDF

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24704 Density functional (DFT), Study of the Structural and Phase Transition of ThC and ThN: LDA vs GGA Computational

Authors: Hamza Rekab Djabri, Salah Daoud

Abstract:

The present paper deals with the computational of structural and electronic properties of ThC and ThN compounds using density functional theory within generalized-gradient (GGA) apraximation and local density approximation (LDA). We employ the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the Lmtart code. We have used to examine structure parameter in eight different structures such as in NaCl (B1), CsCl (B2), ZB (B3), NiAs (B8), PbO (B10), Wurtzite (B4) , HCP (A3) βSn (A5) structures . The equilibrium lattice parameter, bulk modulus, and its pressure derivative were presented for all calculated phases. The calculated ground state properties are in good agreement with available experimental and theoretical results.

Keywords: DFT, GGA, LDA, properties structurales, ThC, ThN

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24703 Structural, Elastic, Vibrational and Thermal Properties of Perovskites AHfO3 (a=Ba,Sr,Eu)

Authors: H. Krarcha

Abstract:

The structural, elastic, vibrational and thermal properties of AHfO3 compounds with the cubic perovskites structure have been investigated, by employing a first principles method, using the plane wave pseudo potential calculations (PP-PW), based on the density functional theory (DFT), within the local density approximation (LDA). The optimized lattice parameters, independent elastic constants (C11, C12 and C44), bulk modulus (B), compressibility (b), shear modulus (G), Young’s modulus (Y ), Poisson’s ratio (n), Lame´’s coefficients (m, l), as well as band structure, density of states and electron density distributions are obtained and analyzed in comparison with the available theoretical and experimental data. For the first time the numerical estimates of elastic parameters of the polycrystalline AHfO3 ceramics (in framework of the VoigteReusseHill approximation) are performed. The quasi-harmonic Debye model, by means of total energy versus volume calculations obtained with the FP-LAPW method, is applied to study the thermal and vibrational effects. Predicted temperature and pressure effects on the structural parameters, thermal expansions, heat capacities, and Debye temperatures are determined from the non-equilibrium Gibbs functions.

Keywords: Hafnium, elastic propreties, first principles calculation, perovskite

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24702 First Principal Calculation of Structural, Elastic and Thermodynamic Properties of Yttrium-Copper Intermetallic Compound

Authors: Ammar Benamrani

Abstract:

This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

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24701 Magnetohydrodynamic Flow of Viscoelastic Nanofluid and Heat Transfer over a Stretching Surface with Non-Uniform Heat Source/Sink and Non-Linear Radiation

Authors: Md. S. Ansari, S. S. Motsa

Abstract:

In this paper, an analysis has been made on the flow of non-Newtonian viscoelastic nanofluid over a linearly stretching sheet under the influence of uniform magnetic field. Heat transfer characteristics is analyzed taking into the effect of nonlinear radiation and non-uniform heat source/sink. Transport equations contain the simultaneous effects of Brownian motion and thermophoretic diffusion of nanoparticles. The relevant partial differential equations are non-dimensionalized and transformed into ordinary differential equations by using appropriate similarity transformations. The transformed, highly nonlinear, ordinary differential equations are solved by spectral local linearisation method. The numerical convergence, error and stability analysis of iteration schemes are presented. The effects of different controlling parameters, namely, radiation, space and temperature-dependent heat source/sink, Brownian motion, thermophoresis, viscoelastic, Lewis number and the magnetic force parameter on the flow field, heat transfer characteristics and nanoparticles concentration are examined. The present investigation has many industrial and engineering applications in the fields of coatings and suspensions, cooling of metallic plates, oils and grease, paper production, coal water or coal–oil slurries, heat exchangers’ technology, and materials’ processing and exploiting.

Keywords: magnetic field, nonlinear radiation, non-uniform heat source/sink, similar solution, spectral local linearisation method, Rosseland diffusion approximation

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24700 Design of a Fuzzy Luenberger Observer for Fault Nonlinear System

Authors: Mounir Bekaik, Messaoud Ramdani

Abstract:

We present in this work a new technique of stabilization for fault nonlinear systems. The approach we adopt focus on a fuzzy Luenverger observer. The T-S approximation of the nonlinear observer is based on fuzzy C-Means clustering algorithm to find local linear subsystems. The MOESP identification approach was applied to design an empirical model describing the subsystems state variables. The gain of the observer is given by the minimization of the estimation error through Lyapunov-krasovskii functional and LMI approach. We consider a three tank hydraulic system for an illustrative example.

Keywords: nonlinear system, fuzzy, faults, TS, Lyapunov-Krasovskii, observer

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24699 Least Squares Method Identification of Corona Current-Voltage Characteristics and Electromagnetic Field in Electrostatic Precipitator

Authors: H. Nouri, I. E. Achouri, A. Grimes, H. Ait Said, M. Aissou, Y. Zebboudj

Abstract:

This paper aims to analysis the behaviour of DC corona discharge in wire-to-plate electrostatic precipitators (ESP). Current-voltage curves are particularly analysed. Experimental results show that discharge current is strongly affected by the applied voltage. The proposed method of current identification is to use the method of least squares. Least squares problems that of into two categories: linear or ordinary least squares and non-linear least squares, depending on whether or not the residuals are linear in all unknowns. The linear least-squares problem occurs in statistical regression analysis; it has a closed-form solution. A closed-form solution (or closed form expression) is any formula that can be evaluated in a finite number of standard operations. The non-linear problem has no closed-form solution and is usually solved by iterative.

Keywords: electrostatic precipitator, current-voltage characteristics, least squares method, electric field, magnetic field

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24698 Maximum Deformation Estimation for Reinforced Concrete Buildings Using Equivalent Linearization Method

Authors: Chien-Kuo Chiu

Abstract:

In the displacement-based seismic design and evaluation, equivalent linearization method is one of the approximation methods to estimate the maximum inelastic displacement response of a system. In this study, the accuracy of two equivalent linearization methods are investigated. The investigation consists of three soil condition in Taiwan (Taipei Basin 1, 2, and 3) and five different heights of building (H_r= 10, 20, 30, 40, and 50 m). The first method is the Taiwan equivalent linearization method (TELM) which was proposed based on Japanese equivalent linear method considering the modification factor, α_T= 0.85. On the basis of Lin and Miranda study, the second method is proposed with some modification considering Taiwan soil conditions. From this study, it is shown that Taiwanese equivalent linearization method gives better estimation compared to the modified Lin and Miranda method (MLM). The error index for the Taiwanese equivalent linearization method are 16%, 13%, and 12% for Taipei Basin 1, 2, and 3, respectively. Furthermore, a ductility demand spectrum of single-degree-of-freedom (SDOF) system is presented in this study as a guide for engineers to estimate the ductility demand of a structure.

Keywords: displacement-based design, ductility demand spectrum, equivalent linearization method, RC buildings, single-degree-of-freedom

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24697 A Hybrid Based Algorithm to Solve the Multi-objective Minimum Spanning Tree Problem

Authors: Boumesbah Asma, Chergui Mohamed El-amine

Abstract:

Since it has been shown that the multi-objective minimum spanning tree problem (MOST) is NP-hard even with two criteria, we propose in this study a hybrid NSGA-II algorithm with an exact mutation operator, which is only used with low probability, to find an approximation to the Pareto front of the problem. In a connected graph G, a spanning tree T of G being a connected and cycle-free graph, if k edges of G\T are added to T, we obtain a partial graph H of G inducing a reduced size multi-objective spanning tree problem compared to the initial one. With a weak probability for the mutation operator, an exact method for solving the reduced MOST problem considering the graph H is then used to give birth to several mutated solutions from a spanning tree T. Then, the selection operator of NSGA-II is activated to obtain the Pareto front approximation. Finally, an adaptation of the VNS metaheuristic is called for further improvements on this front. It allows finding good individuals to counterbalance the diversification and the intensification during the optimization search process. Experimental comparison studies with an exact method show promising results and indicate that the proposed algorithm is efficient.

Keywords: minimum spanning tree, multiple objective linear optimization, combinatorial optimization, non-sorting genetic algorithm, variable neighborhood search

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24696 Approximations of Fractional Derivatives and Its Applications in Solving Non-Linear Fractional Variational Problems

Authors: Harendra Singh, Rajesh Pandey

Abstract:

The paper presents a numerical method based on operational matrix of integration and Ryleigh method for the solution of a class of non-linear fractional variational problems (NLFVPs). Chebyshev first kind polynomials are used for the construction of operational matrix. Using operational matrix and Ryleigh method the NLFVP is converted into a system of non-linear algebraic equations, and solving these equations we obtained approximate solution for NLFVPs. Convergence analysis of the proposed method is provided. Numerical experiment is done to show the applicability of the proposed numerical method. The obtained numerical results are compared with exact solution and solution obtained from Chebyshev third kind. Further the results are shown graphically for different fractional order involved in the problems.

Keywords: non-linear fractional variational problems, Rayleigh-Ritz method, convergence analysis, error analysis

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24695 Study of Gait Stability Evaluation Technique Based on Linear Inverted Pendulum Model

Authors: Kang Sungjae

Abstract:

This research proposes a gait stability evaluation technique based on the linear inverted pendulum model and moving support foot Zero Moment Point. With this, an improvement towards the gait analysis of the orthosis walk is validated. The application of Lagrangian mechanics approximation to the solutions of the dynamics equations for the linear inverted pendulum does not only simplify the solution, but it provides a smooth Zero Moment Point for the double feet support phase. The Zero Moment Point gait analysis techniques mentioned above validates reference trajectories for the center of mass of the gait orthosis, the timing of the steps and landing position references for the swing feet. The stability evaluation technique are tested with a 6 DOF powered gait orthosis. The results obtained are promising for implementations.

Keywords: locomotion, center of mass, gait stability, linear inverted pendulum model

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24694 New Segmentation of Piecewise Linear Regression Models Using Reversible Jump MCMC Algorithm

Authors: Suparman

Abstract:

Piecewise linear regression models are very flexible models for modeling the data. If the piecewise linear regression models are matched against the data, then the parameters are generally not known. This paper studies the problem of parameter estimation of piecewise linear regression models. The method used to estimate the parameters of picewise linear regression models is Bayesian method. But the Bayes estimator can not be found analytically. To overcome these problems, the reversible jump MCMC algorithm is proposed. Reversible jump MCMC algorithm generates the Markov chain converges to the limit distribution of the posterior distribution of the parameters of picewise linear regression models. The resulting Markov chain is used to calculate the Bayes estimator for the parameters of picewise linear regression models.

Keywords: regression, piecewise, Bayesian, reversible Jump MCMC

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24693 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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24692 Modeling and Simulation of a CMOS-Based Analog Function Generator

Authors: Madina Hamiane

Abstract:

Modelling and simulation of an analogy function generator is presented based on a polynomial expansion model. The proposed function generator model is based on a 10th order polynomial approximation of any of the required functions. The polynomial approximations of these functions can then be implemented using basic CMOS circuit blocks. In this paper, a circuit model is proposed that can simultaneously generate many different mathematical functions. The circuit model is designed and simulated with HSPICE and its performance is demonstrated through the simulation of a number of non-linear functions.

Keywords: modelling and simulation, analog function generator, polynomial approximation, CMOS transistors

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24691 A Nonlinear Parabolic Partial Differential Equation Model for Image Enhancement

Authors: Tudor Barbu

Abstract:

We present a robust nonlinear parabolic partial differential equation (PDE)-based denoising scheme in this article. Our approach is based on a second-order anisotropic diffusion model that is described first. Then, a consistent and explicit numerical approximation algorithm is constructed for this continuous model by using the finite-difference method. Finally, our restoration experiments and method comparison, which prove the effectiveness of this proposed technique, are discussed in this paper.

Keywords: anisotropic diffusion, finite differences, image denoising and restoration, nonlinear PDE model, anisotropic diffusion, numerical approximation schemes

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24690 Comparative Study of Electronic and Optical Properties of Ammonium and Potassium Dinitramide Salts through Ab-Initio Calculations

Authors: J. Prathap Kumar, G. Vaitheeswaran

Abstract:

The present study investigates the role of ammonium and potassium ion in the electronic, bonding and optical properties of dinitramide salts due to their stability and non-toxic nature. A detailed analysis of bonding between NH₄ and K with dinitramide, optical transitions from the valence band to the conduction band, absorption spectra, refractive indices, reflectivity, loss function are reported. These materials are well known as oxidizers in solid rocket propellants. In the present work, we use full potential linear augmented plane wave (FP-LAPW) method which is implemented in the Wien2k package within the framework of density functional theory. The standard DFT functional local density approximation (LDA) and generalized gradient approximation (GGA) always underestimate the band gap by 30-40% due to the lack of derivative discontinuities of the exchange-correlation potential with respect to an occupation number. In order to get reliable results, one must use hybrid functional (HSE-PBE), GW calculations and Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. It is very well known that hybrid functionals GW calculations are very expensive, the later methods are computationally cheap. The new developed TB-mBJ functionals use information kinetic energy density along with the charge density employed in DFT. The TB-mBJ functionals cannot be used for total energy calculations but instead yield very much improved band gap. The obtained electronic band gap at gamma point for both the ammonium dinitramide and potassium dinitramide are found to be 2.78 eV and 3.014 eV with GGA functional, respectively. After the inclusion of TB-mBJ, the band gap improved by 4.162 eV for potassium dinitramide and 4.378 eV for ammonium dinitramide. The nature of the band gap is direct in ADN and indirect in KDN. The optical constants such as dielectric constant, absorption, and refractive indices, birefringence values are presented. Overall as there are no experimental studies we present the improved band gap with TB-mBJ functional following with optical properties.

Keywords: ammonium dinitramide, potassium dinitramide, DFT, propellants

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24689 On the PTC Thermistor Model with a Hyperbolic Tangent Electrical Conductivity

Authors: M. O. Durojaye, J. T. Agee

Abstract:

This paper is on the one-dimensional, positive temperature coefficient (PTC) thermistor model with a hyperbolic tangent function approximation for the electrical conductivity. The method of asymptotic expansion was adopted to obtain the steady state solution and the unsteady-state response was obtained using the method of lines (MOL) which is a well-established numerical technique. The approach is to reduce the partial differential equation to a vector system of ordinary differential equations and solve numerically. Our analysis shows that the hyperbolic tangent approximation introduced is well suitable for the electrical conductivity. Numerical solutions obtained also exhibit correct physical characteristics of the thermistor and are in good agreement with the exact steady state solutions.

Keywords: electrical conductivity, hyperbolic tangent function, PTC thermistor, method of lines

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24688 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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24687 Stoner Impurity Model in Nickel Hydride

Authors: Andrea Leon, J. M. Florez, P. Vargas

Abstract:

The effect of hydrogen adsorption on the magnetic properties of fcc Ni has been calculated using the linear-muffin-tin-orbital formalism and using the local-density approximation for the exchange y correlation. The calculations for the ground state show that the sequential addition of hydrogen atoms is found to monotonically reduce the total magnetic moment of the Ni fcc structure, as a result of changes in the exchange-splitting parameter and in the Fermi energy. In order to physically explain the effect of magnetization reduction as the Hydrogen concentration increases, we propose a Stoner impurity model to describe the influence of H impurity on the magnetic properties of Nickel.

Keywords: electronic structure, magnetic properties, Nickel hydride, stoner model

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24686 First Principle Study of Electronic and Optical Properties of YNi₄Si-Type HoNi₄Si Compound

Authors: D. K. Maurya, S. M. Saini

Abstract:

We investigate theoretically the electronic and optical properties of YNi₄Si-type HoNi₄Si compound from first principle calculations. Calculations are performed using full-potential augmented plane wave (FPLAPW) method in the frame work of density functional theory (DFT). The Coulomb corrected local-spin density approximation (LSDA+U) in the self-interaction correction (SIC) has been used for exchange-correlation potential. Analysis of the calculated band structure of HoNi₄Si compound demonstrates their metallic character. We found Ni-3d states mainly contribute to density of states from -5.0 eV to the Fermi level while the Ho-f states peak stands tall in comparison to the small contributions made by the Ni-d and Ho-d states above Fermi level, which is consistent with experiment, in HoNi4Si compound. Our calculated optical conductivity compares well with the experimental data and the results are analyzed in the light of band to band transitions.

Keywords: electronic properties, density of states, optical properties, LSDA+U approximation, YNi₄Si-type HoNi4Si compound

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24685 Spin-Polarized Structural, Electronic, and Magnetic Properties of Co and Mn-Doped CdTe in Zinc-Blende Phase

Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid, A. Sefir

Abstract:

Structural, electronic, and magnetic properties of Co and Mn-doped CdTe have been studied by employing the full potential linear augmented plane waves (FP-LAPW) method within the spin-polarized density functional theory (DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA) as exchange–correlation (XC) potential. We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, spin-polarized band structures, and total and local densities of states. The value of calculated magnetic moment per Co and Mn impurity atoms is found to be 2.21 µB for CdCoTe and 3.20 µB for CdMnTe. The calculated densities of states presented in this study identify the half-metallic of Co and Mn-doped CdTe.

Keywords: electronic structure, density functional theory, band structures, half-metallic, magnetic moment

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24684 New Method for Determining the Distribution of Birefringence and Linear Dichroism in Polymer Materials Based on Polarization-Holographic Grating

Authors: Barbara Kilosanidze, George Kakauridze, Levan Nadareishvili, Yuri Mshvenieradze

Abstract:

A new method for determining the distribution of birefringence and linear dichroism in optical polymer materials is presented. The method is based on the use of polarization-holographic diffraction grating that forms an orthogonal circular basis in the process of diffraction of probing laser beam on the grating. The intensities ratio of the orders of diffraction on this grating enables the value of birefringence and linear dichroism in the sample to be determined. The distribution of birefringence in the sample is determined by scanning with a circularly polarized beam with a wavelength far from the absorption band of the material. If the scanning is carried out by probing beam with the wavelength near to a maximum of the absorption band of the chromophore then the distribution of linear dichroism can be determined. An appropriate theoretical model of this method is presented. A laboratory setup was created for the proposed method. An optical scheme of the laboratory setup is presented. The results of measurement in polymer films with two-dimensional gradient distribution of birefringence and linear dichroism are discussed.

Keywords: birefringence, linear dichroism, graded oriented polymers, optical polymers, optical anisotropy, polarization-holographic grating

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24683 Application of Wavelet Based Approximation for the Solution of Partial Integro-Differential Equation Arising from Viscoelasticity

Authors: Somveer Singh, Vineet Kumar Singh

Abstract:

This work contributes a numerical method based on Legendre wavelet approximation for the treatment of partial integro-differential equation (PIDE). Operational matrices of Legendre wavelets reduce the solution of PIDE into the system of algebraic equations. Some useful results concerning the computational order of convergence and error estimates associated to the suggested scheme are presented. Illustrative examples are provided to show the effectiveness and accuracy of proposed numerical method.

Keywords: legendre wavelets, operational matrices, partial integro-differential equation, viscoelasticity

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