Search results for: generalized%20solutions
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 407

Search results for: generalized%20solutions

167 Transonic Flutter Analysis Using Euler Equation and Reduced Order Modeling Technique

Authors: D. H. Kim, Y. H. Kim, T. Kim

Abstract:

A new method identifies coupled fluid-structure system with a reduced set of state variables is presented. Assuming that the structural model is known a priori either from an analysis or a test and using linear transformations between structural and aeroelastic states, it is possible to deduce aerodynamic information from sampled time histories of the aeroelastic system. More specifically given a finite set of structural modes the method extracts generalized aerodynamic force matrix corresponding to these mode shapes. Once the aerodynamic forces are known, an aeroelastic reduced-order model can be constructed in discrete-time, state-space format by coupling the structural model and the aerodynamic system. The resulting reduced-order model is suitable for constant Mach, varying density analysis.

Keywords: ROM (Reduced-Order Model), aero elasticity, AGARD 445.6 wing.

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166 Transient Analysis of a Single-Server Queue with Fixed-Size Batch Arrivals

Authors: Vitalice K. Oduol, C. Ardil

Abstract:

The transient analysis of a queuing system with fixed-size batch Poisson arrivals and a single server with exponential service times is presented. The focus of the paper is on the use of the functions that arise in the analysis of the transient behaviour of the queuing system. These functions are shown to be a generalization of the modified Bessel functions of the first kind, with the batch size B as the generalizing parameter. Results for the case of single-packet arrivals are obtained first. The similarities between the two families of functions are then used to obtain results for the general case of batch arrival queue with a batch size larger than one.

Keywords: batch arrivals, generalized Bessel functions, queuetransient analysis, time-varying probabilities.

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165 An Improved Construction Method for MIHCs on Cycle Composition Networks

Authors: Hsun Su, Yuan-Kang Shih, Shin-Shin Kao

Abstract:

Many well-known interconnection networks, such as kary n-cubes, recursive circulant graphs, generalized recursive circulant graphs, circulant graphs and so on, are shown to belong to the family of cycle composition networks. Recently, various studies about mutually independent hamiltonian cycles, abbreviated as MIHC-s, on interconnection networks are published. In this paper, using an improved construction method, we obtain MIHC-s on cycle composition networks with a much weaker condition than the known result. In fact, we established the existence of MIHC-s in the cycle composition networks and the result is optimal in the sense that the number of MIHC-s we constructed is maximal.

Keywords: Hamiltonian cycle, k-ary n-cube, cycle composition networks, mutually independent.

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164 Statistical Description of Wave Interactions in 1D Defect Turbulence

Authors: Yusuke Uchiyama, Hidetoshi Konno

Abstract:

We have investigated statistical properties of the defect turbulence in 1D CGLE wherein many body interaction is involved between local depressing wave (LDW) and local standing wave (LSW). It is shown that the counting number fluctuation of LDW is subject to the sub-Poisson statistics (SUBP). The physical origin of the SUBP can be ascribed to pair extinction of LDWs based on the master equation approach. It is also shown that the probability density function (pdf) of inter-LDW distance can be identified by the hyper gamma distribution. Assuming a superstatistics of the exponential distribution (Poisson configuration), a plausible explanation is given. It is shown further that the pdf of amplitude of LDW has a fattail. The underlying mechanism of its fluctuation is examined by introducing a generalized fractional Poisson configuration.

Keywords: sub-Poisson statistics, hyper gamma distribution, fractional Poisson configuration.

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163 Mathematical Properties of the Viscous Rotating Stratified Fluid Counting with Salinity and Heat Transfer in a Layer

Authors: A. Giniatoulline

Abstract:

A model of the mathematical fluid dynamics which describes the motion of a three-dimensional viscous rotating fluid in a homogeneous gravitational field with the consideration of the salinity and heat transfer is considered in a vertical finite layer. The model is a generalization of the linearized Navier-Stokes system with the addition of the Coriolis parameter and the equations for changeable density, salinity, and heat transfer. An explicit solution is constructed and the proof of the existence and uniqueness theorems is given. The localization and the structure of the spectrum of inner waves is also investigated. The results may be used, in particular, for constructing stable numerical algorithms for solutions of the considered models of fluid dynamics of the Atmosphere and the Ocean.

Keywords: Fourier transform, generalized solutions, Navier-Stokes equations, stratified fluid.

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162 Existence and Globally Exponential Stability of Equilibrium for BAM Neural Networks with Mixed Delays and Impulses

Authors: Xiaomei Wang, Shouming Zhong

Abstract:

In this paper, a class of generalized bi-directional associative memory (BAM) neural networks with mixed delays is investigated. On the basis of Lyapunov stability theory and contraction mapping theorem, some new sufficient conditions are established for the existence and uniqueness and globally exponential stability of equilibrium, which generalize and improve the previously known results. One example is given to show the feasibility and effectiveness of our results.

Keywords: Bi-directional associative memory (BAM) neural networks, mixed delays, Lyapunov stability theory, contraction mapping theorem, existence, equilibrium, globally exponential stability.

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161 IFS on the Multi-Fuzzy Fractal Space

Authors: Nadia M. G. AL-Sa'idi, Muhammad Rushdan Md. Sd., Adil M. Ahmed

Abstract:

The IFS is a scheme for describing and manipulating complex fractal attractors using simple mathematical models. More precisely, the most popular “fractal –based" algorithms for both representation and compression of computer images have involved some implementation of the method of Iterated Function Systems (IFS) on complete metric spaces. In this paper a new generalized space called Multi-Fuzzy Fractal Space was constructed. On these spases a distance function is defined, and its completeness is proved. The completeness property of this space ensures the existence of a fixed-point theorem for the family of continuous mappings. This theorem is the fundamental result on which the IFS methods are based and the fractals are built. The defined mappings are proved to satisfy some generalizations of the contraction condition.

Keywords: Fuzzy metric space, Fuzzy fractal space, Multi fuzzy fractal space.

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160 Using Lagrange Equations to Study the Relative Motion of a Mechanism

Authors: R. A. Petre, S. E. Nichifor, A. Craifaleanu, I. Stroe

Abstract:

The relative motion of a robotic arm formed by homogeneous bars of different lengths and masses, hinged to each other is investigated. The first bar of the mechanism is articulated on a platform, considered initially fixed on the surface of the Earth, while for the second case the platform is considered to be in rotation with respect to the Earth. For both analyzed cases the motion equations are determined using the Lagrangian formalism, applied in its traditional form, valid with respect to an inertial reference system, conventionally considered as fixed. However, in the second case, a generalized form of the formalism valid with respect to a non-inertial reference frame will also be applied. The numerical calculations were performed using a MATLAB program.

Keywords: Lagrange equations, relative motion, inertial or non-inertial reference frame.

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159 Genetic Programming Approach to Hierarchical Production Rule Discovery

Authors: Basheer M. Al-Maqaleh, Kamal K. Bharadwaj

Abstract:

Automated discovery of hierarchical structures in large data sets has been an active research area in the recent past. This paper focuses on the issue of mining generalized rules with crisp hierarchical structure using Genetic Programming (GP) approach to knowledge discovery. The post-processing scheme presented in this work uses flat rules as initial individuals of GP and discovers hierarchical structure. Suitable genetic operators are proposed for the suggested encoding. Based on the Subsumption Matrix(SM), an appropriate fitness function is suggested. Finally, Hierarchical Production Rules (HPRs) are generated from the discovered hierarchy. Experimental results are presented to demonstrate the performance of the proposed algorithm.

Keywords: Genetic Programming, Hierarchy, Knowledge Discovery in Database, Subsumption Matrix.

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158 Spectrum Sensing Based On the Cyclostationarity of PU Signals in High Traffic Environments

Authors: Keunhong Chae, Youngpo Lee, Seokho Yoon

Abstract:

In cognitive radio (CR) systems, the primary user (PU) signal would randomly depart or arrive during the sensing period of a CR user, which is referred to as the high traffic environment. In this paper, we propose a novel spectrum sensing scheme based on the cyclostationarity of PU signals in high traffic environments. Specifically, we obtain a test statistic by applying an estimate of spectral autocoherence function of the PU signal to the generalized- likelihood ratio. From numerical results, it is confirmed that the proposed scheme provides a better spectrum sensing performance compared with the conventional spectrum sensing scheme based on the energy of the PU signals in high traffic environments.

Keywords: Spectrum sensing, cyclostationarity, high traffic environments.

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157 Self-Assembling Hypernetworks for Cognitive Learning of Linguistic Memory

Authors: Byoung-Tak Zhang, Chan-Hoon Park

Abstract:

Hypernetworks are a generalized graph structure representing higher-order interactions between variables. We present a method for self-organizing hypernetworks to learn an associative memory of sentences and to recall the sentences from this memory. This learning method is inspired by the “mental chemistry" model of cognition and the “molecular self-assembly" technology in biochemistry. Simulation experiments are performed on a corpus of natural-language dialogues of approximately 300K sentences collected from TV drama captions. We report on the sentence completion performance as a function of the order of word-interaction and the size of the learning corpus, and discuss the plausibility of this architecture as a cognitive model of language learning and memory.

Keywords: Linguistic recall memory, sentence completion task, self-organizing hypernetworks, cognitive learning and memory.

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156 A Data Warehouse System to Help Assist Breast Cancer Screening in Diagnosis, Education and Research

Authors: Souâd Demigha

Abstract:

Early detection of breast cancer is considered as a major public health issue. Breast cancer screening is not generalized to the entire population due to a lack of resources, staff and appropriate tools. Systematic screening can result in a volume of data which can not be managed by present computer architecture, either in terms of storage capabilities or in terms of exploitation tools. We propose in this paper to design and develop a data warehouse system in radiology-senology (DWRS). The aim of such a system is on one hand, to support this important volume of information providing from multiple sources of data and images and for the other hand, to help assist breast cancer screening in diagnosis, education and research.

Keywords: Breast cancer screening, data warehouse, diagnosis, education, research.

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155 Similarity Measure Functions for Strategy-Based Biometrics

Authors: Roman V. Yampolskiy, Venu Govindaraju

Abstract:

Functioning of a biometric system in large part depends on the performance of the similarity measure function. Frequently a generalized similarity distance measure function such as Euclidian distance or Mahalanobis distance is applied to the task of matching biometric feature vectors. However, often accuracy of a biometric system can be greatly improved by designing a customized matching algorithm optimized for a particular biometric application. In this paper we propose a tailored similarity measure function for behavioral biometric systems based on the expert knowledge of the feature level data in the domain. We compare performance of a proposed matching algorithm to that of other well known similarity distance functions and demonstrate its superiority with respect to the chosen domain.

Keywords: Behavioral Biometrics, Euclidian Distance, Matching, Similarity Measure.

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154 Signal Processing Approach to Study Multifractality and Singularity of Solar Wind Speed Time Series

Authors: Tushnik Sarkar, Mofazzal H. Khondekar, Subrata Banerjee

Abstract:

This paper investigates the nature of the fluctuation of the daily average Solar wind speed time series collected over a period of 2492 days, from 1st January, 1997 to 28th October, 2003. The degree of self-similarity and scalability of the Solar Wind Speed signal has been explored to characterise the signal fluctuation. Multi-fractal Detrended Fluctuation Analysis (MFDFA) method has been implemented on the signal which is under investigation to perform this task. Furthermore, the singularity spectra of the signals have been also obtained to gauge the extent of the multifractality of the time series signal.

Keywords: Detrended fluctuation analysis, generalized Hurst exponent, holder exponents, multifractal exponent, multifractal spectrum, singularity spectrum, time series analysis.

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153 Obstacle and Collision Avoidance Control Laws of a Swarm of Boids

Authors: Bibhya Sharma, Jito Vanualailai, Jai Raj

Abstract:

This paper proposes a new obstacle and collision avoidance control laws for a three-dimensional swarm of boids. The swarm exhibit collective emergent behaviors whilst avoiding the obstacles in the workspace. While flocking, animals group up in order to do various tasks and even a greater chance of evading predators. A generalized algorithms for attraction to the centroid, inter-individual swarm avoidance and obstacle avoidance is designed in this paper. We present a set of new continuous time-invariant velocity control laws is presented which is formulated via the Lyapunov-based control scheme. The control laws proposed in this paper also ensures practical stability of the system. The effectiveness of the proposed control laws is demonstrated via computer simulations

 

Keywords: Lyapunov-based Control Scheme, Motion planning, Practical stability, Swarm.

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152 Efficient Implementation of Serial and Parallel Support Vector Machine Training with a Multi-Parameter Kernel for Large-Scale Data Mining

Authors: Tatjana Eitrich, Bruno Lang

Abstract:

This work deals with aspects of support vector learning for large-scale data mining tasks. Based on a decomposition algorithm that can be run in serial and parallel mode we introduce a data transformation that allows for the usage of an expensive generalized kernel without additional costs. In order to speed up the decomposition algorithm we analyze the problem of working set selection for large data sets and analyze the influence of the working set sizes onto the scalability of the parallel decomposition scheme. Our modifications and settings lead to improvement of support vector learning performance and thus allow using extensive parameter search methods to optimize classification accuracy.

Keywords: Support Vector Machines, Shared Memory Parallel Computing, Large Data

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151 Numerical Simulation of Minimum Distance Jet Impingement Heat Transfer

Authors: Aman Agarwal, Georg Klepp

Abstract:

Impinging jets are used in various industrial areas as a cooling and drying technique. The current research is concerned with the means of improving the heat transfer for configurations with a minimum distance of the nozzle to the impingement surface. The impingement heat transfer is described using numerical methods over a wide range of parameters for an array of planar jets. These parameters include varying jet flow speed, width of nozzle, distance of nozzle, angle of the jet flow, velocity and geometry of the impingement surface. Normal pressure and shear stress are computed as additional parameters. Using dimensionless characteristic numbers the parameters and the results are correlated to gain generalized equations. The results demonstrate the effect of the investigated parameters on the flow.

Keywords: Heat Transfer Coefficient, Minimum distance jet impingement, Numerical simulation, Dimensionless coefficients.

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150 Investigation on the Stability of Rock Slopes Subjected to Tension Cracks via Limit Analysis

Authors: W. Wu, S. Utili

Abstract:

Based on the kinematic approach of limit analysis, a full set of upper bound solutions for the stability of homogeneous rock slopes subjected to tension cracks are obtained. The generalized Hoek-Brown failure criterion is employed to describe the non-linear strength envelope of rocks. In this paper, critical failure mechanisms are determined for cracks of known depth but unspecified location, cracks of known location but unknown depth, and cracks of unspecified location and depth. It is shown that there is a nearly up to 50% drop in terms of the stability factors for the rock slopes intersected by a tension crack compared with intact ones. Tables and charts of solutions in dimensionless forms are presented for ease of use by practitioners.

Keywords: Hoek-Brown failure criterion, limit analysis, rock slope, tension cracks.

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149 Reduction of Search Space by Applying Controlled Genetic Operators for Weight Constrained Shortest Path Problem

Authors: A.K.M. Khaled Ahsan Talukder, Taibun Nessa, Kaushik Roy

Abstract:

The weight constrained shortest path problem (WCSPP) is one of most several known basic problems in combinatorial optimization. Because of its importance in many areas of applications such as computer science, engineering and operations research, many researchers have extensively studied the WCSPP. This paper mainly concentrates on the reduction of total search space for finding WCSP using some existing Genetic Algorithm (GA). For this purpose, some controlled schemes of genetic operators are adopted on list chromosome representation. This approach gives a near optimum solution with smaller elapsed generation than classical GA technique. From further analysis on the matter, a new generalized schema theorem is also developed from the philosophy of Holland-s theorem.

Keywords: Genetic Algorithm, Evolutionary Optimization, Multi Objective Optimization, Non-linear Schema Theorem, WCSPP.

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148 Cubic Trigonometric B-spline Approach to Numerical Solution of Wave Equation

Authors: Shazalina Mat Zin, Ahmad Abd. Majid, Ahmad Izani Md. Ismail, Muhammad Abbas

Abstract:

The generalized wave equation models various problems in sciences and engineering. In this paper, a new three-time level implicit approach based on cubic trigonometric B-spline for the approximate solution of wave equation is developed. The usual finite difference approach is used to discretize the time derivative while cubic trigonometric B-spline is applied as an interpolating function in the space dimension. Von Neumann stability analysis is used to analyze the proposed method. Two problems are discussed to exhibit the feasibility and capability of the method. The absolute errors and maximum error are computed to assess the performance of the proposed method. The results were found to be in good agreement with known solutions and with existing schemes in literature.

Keywords: Collocation method, Cubic trigonometric B-spline, Finite difference, Wave equation.

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147 Protein Residue Contact Prediction using Support Vector Machine

Authors: Chan Weng Howe, Mohd Saberi Mohamad

Abstract:

Protein residue contact map is a compact representation of secondary structure of protein. Due to the information hold in the contact map, attentions from researchers in related field were drawn and plenty of works have been done throughout the past decade. Artificial intelligence approaches have been widely adapted in related works such as neural networks, genetic programming, and Hidden Markov model as well as support vector machine. However, the performance of the prediction was not generalized which probably depends on the data used to train and generate the prediction model. This situation shown the importance of the features or information used in affecting the prediction performance. In this research, support vector machine was used to predict protein residue contact map on different combination of features in order to show and analyze the effectiveness of the features.

Keywords: contact map, protein residue contact, support vector machine, protein structure prediction

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146 A Robust Software for Advanced Analysis of Space Steel Frames

Authors: Viet-Hung Truong, Seung-Eock Kim

Abstract:

This paper presents a robust software package for practical advanced analysis of space steel framed structures. The pre- and post-processors of the presented software package are coded in the C++ programming language while the solver is written by using the FORTRAN programming language. A user-friendly graphical interface of the presented software is developed to facilitate the modeling process and result interpretation of the problem. The solver employs the stability functions for capturing the second-order effects to minimize modeling and computational time. Both the plastic-hinge and fiber-hinge beam-column elements are available in the presented software. The generalized displacement control method is adopted to solve the nonlinear equilibrium equations.

Keywords: Advanced analysis, beam-column, fiber-hinge, plastic hinge, steel frame.

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145 Analyzing the Factors Effecting the Passenger Car Breakdowns using Com-Poisson GLM

Authors: N. Mamode Khan, V. Jowaheer

Abstract:

Number of breakdowns experienced by a machinery is a highly under-dispersed count random variable and its value can be attributed to the factors related to the mechanical input and output of that machinery. Analyzing such under-dispersed count observations as a function of the explanatory factors has been a challenging problem. In this paper, we aim at estimating the effects of various factors on the number of breakdowns experienced by a passenger car based on a study performed in Mauritius over a year. We remark that the number of passenger car breakdowns is highly under-dispersed. These data are therefore modelled and analyzed using Com-Poisson regression model. We use quasi-likelihood estimation approach to estimate the parameters of the model. Under-dispersion parameter is estimated to be 2.14 justifying the appropriateness of Com-Poisson distribution in modelling under-dispersed count responses recorded in this study.

Keywords: Breakdowns, under-dispersion, com-poisson, generalized linear model, quasi-likelihood estimation

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144 Tidal Flow Patterns Near A Coastal Headland

Authors: Fu E. Tang, Daoyi Chen

Abstract:

Experimental investigations were carried out in the Manchester Tidal flow Facility (MTF) to study the flow patterns in the region around and adjacent to a hypothetical headland in tidal (oscillatory) ambient flow. The Planar laser-induced fluorescence (PLIF) technique was used for visualization, with fluorescent dye released at specific points around the headland perimeter and in its adjacent recirculation zone. The flow patterns can be generalized into the acceleration, stable flow and deceleration stages for each halfcycle, with small variations according to location, which are more distinct for low Keulegan-Carpenter number (KC) cases. Flow patterns in the mixing region are unstable and complex, especially in the recirculation zone. The flow patterns are in agreement with previous visualizations, and support previous results in steady ambient flow. It is suggested that the headland lee could be a viable location for siting of pollutant outfalls.

Keywords: Planar laser-induced Fluorescence, recirculation zone, tidal flow, wake flows

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143 A Comparison of the Sum of Squares in Linear and Partial Linear Regression Models

Authors: Dursun Aydın

Abstract:

In this paper, estimation of the linear regression model is made by ordinary least squares method and the partially linear regression model is estimated by penalized least squares method using smoothing spline. Then, it is investigated that differences and similarity in the sum of squares related for linear regression and partial linear regression models (semi-parametric regression models). It is denoted that the sum of squares in linear regression is reduced to sum of squares in partial linear regression models. Furthermore, we indicated that various sums of squares in the linear regression are similar to different deviance statements in partial linear regression. In addition to, coefficient of the determination derived in linear regression model is easily generalized to coefficient of the determination of the partial linear regression model. For this aim, it is made two different applications. A simulated and a real data set are considered to prove the claim mentioned here. In this way, this study is supported with a simulation and a real data example.

Keywords: Partial Linear Regression Model, Linear RegressionModel, Residuals, Deviance, Smoothing Spline.

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142 Chua’s Circuit Regulation Using a Nonlinear Adaptive Feedback Technique

Authors: Abolhassan Razminia, Mohammad-Ali Sadrnia

Abstract:

Chua’s circuit is one of the most important electronic devices that are used for Chaos and Bifurcation studies. A central role of secure communication is devoted to it. Since the adaptive control is used vastly in the linear systems control, here we introduce a new trend of application of adaptive method in the chaos controlling field. In this paper, we try to derive a new adaptive control scheme for Chua’s circuit controlling because control of chaos is often very important in practical operations. The novelty of this approach is for sake of its robustness against the external perturbations which is simulated as an additive noise in all measured states and can be generalized to other chaotic systems. Our approach is based on Lyapunov analysis and the adaptation law is considered for the feedback gain. Because of this, we have named it NAFT (Nonlinear Adaptive Feedback Technique). At last, simulations show the capability of the presented technique for Chua’s circuit.

Keywords: Chaos, adaptive control, nonlinear control, Chua's circuit.

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141 Riemann-Liouville Fractional Calculus and Multiindex Dzrbashjan-Gelfond-Leontiev Differentiation and Integration with Multiindex Mittag-Leffler Function

Authors: U.K. Saha, L.K. Arora

Abstract:

The multiindex Mittag-Leffler (M-L) function and the multiindex Dzrbashjan-Gelfond-Leontiev (D-G-L) differentiation and integration play a very pivotal role in the theory and applications of generalized fractional calculus. The object of this paper is to investigate the relations that exist between the Riemann-Liouville fractional calculus and multiindex Dzrbashjan-Gelfond-Leontiev differentiation and integration with multiindex Mittag-Leffler function.

Keywords: Multiindex Mittag-Leffler function, Multiindex Dzrbashjan-Gelfond-Leontiev differentiation and integration, Riemann-Liouville fractional integrals and derivatives.

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140 A Survey on the Requirements of University Course Timetabling

Authors: Nurul Liyana Abdul Aziz, Nur Aidya Hanum Aizam

Abstract:

Course timetabling problems occur every semester in a university which includes the allocation of resources (subjects, lecturers and students) to a number of fixed rooms and timeslots. The assignment is carried out in a way such that there are no conflicts within rooms, students and lecturers, as well as fulfilling a range of constraints. The constraints consist of rules and policies set up by the universities as well as lecturers’ and students’ preferences of courses to be allocated in specific timeslots. This paper specifically focuses on the preferences of the course timetabling problem in one of the public universities in Malaysia. The demands will be considered into our existing mathematical model to make it more generalized and can be used widely. We have distributed questionnaires to a number of lecturers and students of the university to investigate their demands and preferences for their desired course timetable. We classify the preferences thus converting them to construct one mathematical model that can produce such timetable.

Keywords: University course timetabling problem, integer programming, preferences, constraints.

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139 Temperature Effect on Sound Propagation in an Elastic Pipe with Viscoelastic Liquid

Authors: S. Levitsky, R. Bergman

Abstract:

Fluid rheology may have essential impact on sound propagation in a liquid-filled pipe, especially, in a low frequency range. Rheological parameters of liquid are temperature-sensitive, which ultimately results in a temperature dependence of the wave speed and attenuation in the waveguide. The study is devoted to modeling of this effect at sound propagation in an elastic pipe with polymeric liquid, described by generalized Maxwell model with non-zero high-frequency viscosity. It is assumed that relaxation spectrum is distributed according to the Spriggs law; temperature impact on the liquid rheology is described on the basis of the temperature-superposition principle and activation theory. The dispersion equation for the waveguide, considered as a thin-walled tube with polymeric solution, is obtained within a quasi-one-dimensional formulation. Results of the study illustrate the influence of temperature on sound propagation in the system.

Keywords: Elastic tube, sound propagation, temperature effect, viscoelastic liquid.

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138 Temperature Dependent Interaction Energies among X (=Ru, Rh) Impurities in Pd-Rich PdX Alloys

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

Abstract:

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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