Search results for: Saddle point problem
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5068

Search results for: Saddle point problem

4648 A Method for Improving the Embedded Runge Kutta Fehlberg 4(5)

Authors: Sunyoung Bu, Wonkyu Chung, Philsu Kim

Abstract:

In this paper, we introduce a method for improving the embedded Runge-Kutta-Fehlberg4(5) method. At each integration step, the proposed method is comprised of two equations for the solution and the error, respectively. These solution and error are obtained by solving an initial value problem whose solution has the information of the error at each integration step. The constructed algorithm controls both the error and the time step size simultaneously and possesses a good performance in the computational cost compared to the original method. For the assessment of the effectiveness, EULR problem is numerically solved.

Keywords: Embedded Runge-Kutta-Fehlberg method, Initial value problem.

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4647 Radiation Effects and Defects in InAs, InP Compounds and Their Solid Solutions InPxAs1-x

Authors: N. Kekelidze, B. Kvirkvelia, E. Khutsishvili, T. Qamushadze, D. Kekelidze, R. Kobaidze, Z. Chubinishvili, N. Qobulashvili, G. Kekelidze

Abstract:

On the basis of InAs, InP and their InPxAs1-x solid solutions, the technologies were developed and materials were created where the electron concentration and optical and thermoelectric properties do not change under the irradiation with Ф = 2∙1018 n/cm2 fluences of fast neutrons high-energy electrons (50 MeV, Ф = 6·1017 e/cm2) and 3 MeV electrons with fluence Ф = 3∙1018 e/cm2. The problem of obtaining such material has been solved, in which under hard irradiation the mobility of the electrons does not decrease, but increases. This material is characterized by high thermal stability up to T = 700 °C. The complex process of defects formation has been analyzed and shown that, despite of hard irradiation, the essential properties of investigated materials are mainly determined by point type defects.

Keywords: InAs, InP, solid solutions, irradiation.

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4646 A New Robust Stability Criterion for Dynamical Neural Networks with Mixed Time Delays

Authors: Guang Zhou, Shouming Zhong

Abstract:

In this paper, we investigate the problem of the existence, uniqueness and global asymptotic stability of the equilibrium point for a class of neural networks, the neutral system has mixed time delays and parameter uncertainties. Under the assumption that the activation functions are globally Lipschitz continuous, we drive a new criterion for the robust stability of a class of neural networks with time delays by utilizing the Lyapunov stability theorems and the Homomorphic mapping theorem. Numerical examples are given to illustrate the effectiveness and the advantage of the proposed main results.

Keywords: Neural networks, Delayed systems, Lyapunov function, Stability analysis.

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4645 Model for Knowledge Representation using Sample Problems and Designing a Program for Automatically Solving Algebraic Problems

Authors: Nhon Do, Hien Nguyen

Abstract:

Nowadays there are many methods for representing knowledge such as semantic network, neural network, and conceptual graphs. Nonetheless, these methods are not sufficiently efficient when applied to perform and deduce on knowledge domains about supporting in general education such as algebra, analysis or plane geometry. This leads to the introduction of computational network which is a useful tool for representation knowledge base, especially for computational knowledge, especially knowledge domain about general education. However, when dealing with a practical problem, we often do not immediately find a new solution, but we search related problems which have been solved before and then proposing an appropriate solution for the problem. Besides that, when finding related problems, we have to determine whether the result of them can be used to solve the practical problem or not. In this paper, the extension model of computational network has been presented. In this model, Sample Problems, which are related problems, will be used like the experience of human about practical problem, simulate the way of human thinking, and give the good solution for the practical problem faster and more effectively. This extension model is applied to construct an automatic system for solving algebraic problems in middle school.

Keywords: educational software, artificial intelligence, knowledge base system, knowledge representation.

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4644 Numerical Computation of Sturm-Liouville Problem with Robin Boundary Condition

Authors: Theddeus T. Akano, Omotayo A. Fakinlede

Abstract:

The modelling of physical phenomena, such as the earth’s free oscillations, the vibration of strings, the interaction of atomic particles, or the steady state flow in a bar give rise to Sturm- Liouville (SL) eigenvalue problems. The boundary applications of some systems like the convection-diffusion equation, electromagnetic and heat transfer problems requires the combination of Dirichlet and Neumann boundary conditions. Hence, the incorporation of Robin boundary condition in the analyses of Sturm-Liouville problem. This paper deals with the computation of the eigenvalues and eigenfunction of generalized Sturm-Liouville problems with Robin boundary condition using the finite element method. Numerical solution of classical Sturm–Liouville problem is presented. The results show an agreement with the exact solution. High results precision is achieved with higher number of elements.

Keywords: Sturm-Liouville problem, Robin boundary condition, finite element method, eigenvalue problems.

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4643 Positive Solutions for Boundary Value Problems of Fourth-Order Nonlinear Singular Differential Equations in Banach Space

Authors: Li Xiguang

Abstract:

In this paper, by constructing a special non-empty closed convex set and utilizing M¨onch fixed point theory, we investigate the existence of solution for a class of fourth-order singular differential equation in Banach space, which improved and generalized the result of related paper.

Keywords: Banach space, cone, fixed point index, singular differential equation.

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4642 Evaluation of Minimization of Moment Ratio Method by Physical Modeling

Authors: Amin Eslami, Jafar Bolouri Bazaz

Abstract:

Under active stress conditions, a rigid cantilever retaining wall tends to rotate about a pivot point located within the embedded depth of the wall. For purely granular and cohesive soils, a methodology was previously reported called minimization of moment ratio to determine the location of the pivot point of rotation. The usage of this new methodology is to estimate the rotational stability safety factor. Moreover, the degree of improvement required in a backfill to get a desired safety factor can be estimated by the concept of the shear strength demand. In this article, the accuracy of this method for another type of cantilever walls called Contiguous Bored Pile (CBP) retaining wall is evaluated by using physical modeling technique. Based on observations, the results of moment ratio minimization method are in good agreement with the results of the carried out physical modeling.

Keywords: Cantilever Retaining Wall, Physical Modeling, Minimization of Moment Ratio Method, Pivot Point.

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4641 A Genetic and Simulated Annealing Based Algorithms for Solving the Flow Assignment Problem in Computer Networks

Authors: Tarek M. Mahmoud

Abstract:

Selecting the routes and the assignment of link flow in a computer communication networks are extremely complex combinatorial optimization problems. Metaheuristics, such as genetic or simulated annealing algorithms, are widely applicable heuristic optimization strategies that have shown encouraging results for a large number of difficult combinatorial optimization problems. This paper considers the route selection and hence the flow assignment problem. A genetic algorithm and simulated annealing algorithm are used to solve this problem. A new hybrid algorithm combining the genetic with the simulated annealing algorithm is introduced. A modification of the genetic algorithm is also introduced. Computational experiments with sample networks are reported. The results show that the proposed modified genetic algorithm is efficient in finding good solutions of the flow assignment problem compared with other techniques.

Keywords: Genetic Algorithms, Flow Assignment, Routing, Computer network, Simulated Annealing.

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4640 One-Class Support Vector Machines for Protein-Protein Interactions Prediction

Authors: Hany Alashwal, Safaai Deris, Razib M. Othman

Abstract:

Predicting protein-protein interactions represent a key step in understanding proteins functions. This is due to the fact that proteins usually work in context of other proteins and rarely function alone. Machine learning techniques have been applied to predict protein-protein interactions. However, most of these techniques address this problem as a binary classification problem. Although it is easy to get a dataset of interacting proteins as positive examples, there are no experimentally confirmed non-interacting proteins to be considered as negative examples. Therefore, in this paper we solve this problem as a one-class classification problem using one-class support vector machines (SVM). Using only positive examples (interacting protein pairs) in training phase, the one-class SVM achieves accuracy of about 80%. These results imply that protein-protein interaction can be predicted using one-class classifier with comparable accuracy to the binary classifiers that use artificially constructed negative examples.

Keywords: Bioinformatics, Protein-protein interactions, One-Class Support Vector Machines

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4639 KM for Solving Economic Problem and Poverty in Community: a Case from Thailand

Authors: Usa Sutthisakorn, Samchai Jirapatarasil

Abstract:

This paper aims to present knowledge management for solving economic problem and poverty in Thai community. A community in Thailand is studied as a case study for master plan or social and economic plan which derived form the research people conducted by themselves in their community. The result shows that community uses knowledge management in recording income and expense, analyzing their consumption, and then systematic planning of the production, distribution and consumption in the community. Besides, community enterprises, that people create as the by-products of master plan, can facilitate diverse economic activities which are able to reduce economic problem and poverty. The knowledge that people gain from solving their problem through building community enterprises are both tacit and explicit knowledge. Four styles of knowledge conversion: socialization,externalization, combination and internalization, are used. Besides, knowledge sharing inside the organization, between organizations and its environment are found. Keywordsknowledge management, community enterprise, Thailand.

Keywords: knowledge management, community enterprise, Thailand

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4638 Non-Stationary Stochastic Optimization of an Oscillating Water Column

Authors: María L. Jalón, Feargal Brennan

Abstract:

A non-stationary stochastic optimization methodology is applied to an OWC (oscillating water column) to find the design that maximizes the wave energy extraction. Different temporal cycles are considered to represent the long-term variability of the wave climate at the site in the optimization problem. The results of the non-stationary stochastic optimization problem are compared against those obtained by a stationary stochastic optimization problem. The comparative analysis reveals that the proposed non-stationary optimization provides designs with a better fit to reality. However, the stationarity assumption can be adequate when looking at averaged system response.

Keywords: Non-stationary stochastic optimization, oscillating water column, temporal variability, wave energy.

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4637 A Heuristic for the Integrated Production and Distribution Scheduling Problem

Authors: Christian Meinecke, Bernd Scholz-Reiter

Abstract:

The integrated problem of production and distribution scheduling is relevant in many industrial applications. Thus, many heuristics to solve this integrated problem have been developed in the last decade. Most of these heuristics use a sequential working principal or a single decomposition and integration approach to separate and solve subproblems. A heuristic using a multi step decomposition and integration approach is presented in this paper and evaluated in a case study. The result show significant improved results compared with sequential scheduling heuristics.

Keywords: Production and outbound distribution, integrated planning, heuristic, decomposition and integration.

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4636 Opto-Mechanical Characterization of Aspheric Lenses from the Hybrid Method

Authors: Aliouane Toufik, Hamdi Amine, Bouzid Djamel

Abstract:

Aspheric optical components are an alternative to the use of conventional lenses in the implementation of imaging systems for the visible range. Spherical lenses are capable of producing aberrations. Therefore, they are not able to focus all the light into a single point. Instead, aspherical lenses correct aberrations and provide better resolution even with compact lenses incorporating a small number of lenses.

Metrology of these components is very difficult especially when the resolution requirements increase and insufficient or complexity of conventional tools requires the development of specific approaches to characterization.

This work is part of the problem existed because the objectives are the study and comparison of different methods used to measure surface rays hybrid aspherical lenses.

Keywords: Aspherical surface, Manufacture of lenses, precision molding, radius of curvature, roughness.

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4635 Free Convection in an Infinite Porous Dusty Medium Induced by Pulsating Point Heat Source

Authors: K. Kannan, V. Venkataraman

Abstract:

Free convection effects and heat transfer due to a pulsating point heat source embedded in an infinite, fluid saturated, porous dusty medium are studied analytically. Both velocity and temperature fields are discussed in the form of series expansions in the Rayleigh number, for both the fluid and particle phases based on the mean heat generation rate from source and on the permeability of the porous dusty medium. This study is carried out by assuming the Rayleigh number small and the validity of Darcy-s law. Analytical expressions for both phases are obtained for second order mean in both velocity and temperature fields and evolution of different wave patterns are observed in the fluctuating part. It has been observed that, at the vicinity of the origin, the second order mean flow is influenced only by relaxation time of dust particles and not by dust concentration.

Keywords: Pulsating point heat source, azimuthal velocity, porous dusty medium, Darcy's law.

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4634 Maximum Power Point Tracking Based on Estimated Power for PV Energy Conversion System

Authors: Zainab Almukhtar, Adel Merabet

Abstract:

In this paper, a method for maximum power point tracking of a photovoltaic energy conversion system is presented. This method is based on using the difference between the power from the solar panel and an estimated power value to control the DC-DC converter of the photovoltaic system. The difference is continuously compared with a preset error permitted value. If the power difference is more than the error, the estimated power is multiplied by a factor and the operation is repeated until the difference is less or equal to the threshold error. The difference in power will be used to trigger a DC-DC boost converter in order to raise the voltage to where the maximum power point is achieved. The proposed method was experimentally verified through a PV energy conversion system driven by the OPAL-RT real time controller. The method was tested on varying radiation conditions and load requirements, and the Photovoltaic Panel was operated at its maximum power in different conditions of irradiation.

Keywords: Control system, power error, solar panel, MPPT.

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4633 Local Error Control in the RK5GL3 Method

Authors: J.S.C. Prentice

Abstract:

The RK5GL3 method is a numerical method for solving initial value problems in ordinary differential equations, and is based on a combination of a fifth-order Runge-Kutta method and 3-point Gauss-Legendre quadrature. In this paper we describe an effective local error control algorithm for RK5GL3, which uses local extrapolation with an eighth-order Runge-Kutta method in tandem with RK5GL3, and a Hermite interpolating polynomial for solution estimation at the Gauss-Legendre quadrature nodes.

Keywords: RK5GL3, RKrGLm, Runge-Kutta, Gauss-Legendre, Hermite interpolating polynomial, initial value problem, local error.

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4632 Iron(III)-Tosylate Doped PEDOT and PEG: A Nanoscale Conductivity Study of an Electrochemical System with Biosensing Applications

Authors: Giulio Rosati, Luciano Sappia, Rossana Madrid, Noemi Rozlòsnik

Abstract:

The addition of PEG of different molecular weights has important effects on the physical, electrical and electrochemical properties of iron(III)-tosylate doped PEDOT. This particular polymer can be easily spin coated over plastic discs, optimizing thickness and uniformity of the PEDOT-PEG films. The conductivity and morphological analysis of the hybrid PEDOT-PEG polymer by 4-point probe (4PP), 12-point probe (12PP), and conductive AFM (C-AFM) show strong effects of the PEG doping. Moreover, the conductive films kinetics at the nanoscale, in response to different bias voltages, change radically depending on the PEG molecular weight. The hybrid conductive films show also interesting electrochemical properties, making the PEDOT PEG doping appealing for biosensing applications both for EIS-based and amperometric affinity/catalytic biosensors.

Keywords: Atomic force microscopy, biosensors, four-point probe, nano-films, PEDOT.

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4631 The Possibility to Resolve the Security Problems through the LTE in Vehicular Ad-hoc Networks

Authors: Sun-Hee Han, Hun-Jung Lim, Tai-Myoung Chung

Abstract:

Vehicular Ad-Hoc Networks (VANET) can provide communications between vehicles or infrastructures. It provides the convenience of driving and the secure driving to reduce accidents. In VANET, the security is more important because it is closely related to accidents. Additionally, VANET raises a privacy issue because it can track the location of vehicles and users- identity when a security mechanism is provided. In this paper, we analyze the problem of an existing solution for security requirements required in VANET, and resolve the problem of the existing method when a key management mechanism is provided for the security operation in VANET. Therefore, we show suitability of the Long Term Evolution (LTE) in VANET for the solution of this problem.

Keywords: VANET, Privacy, Security, LTE

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4630 Integrating Visual Modeling throughout the Computer Science Curriculum

Authors: Carol B.Collins, M. H. N Tabrizi

Abstract:

The purposes of this paper are to (1) promote excellence in computer science by suggesting a cohesive innovative approach to fill well documented deficiencies in current computer science education, (2) justify (using the authors- and others anecdotal evidence from both the classroom and the real world) why this approach holds great potential to successfully eliminate the deficiencies, (3) invite other professionals to join the authors in proof of concept research. The authors- experiences, though anecdotal, strongly suggest that a new approach involving visual modeling technologies should allow computer science programs to retain a greater percentage of prospective and declared majors as students become more engaged learners, more successful problem-solvers, and better prepared as programmers. In addition, the graduates of such computer science programs will make greater contributions to the profession as skilled problem-solvers. Instead of wearily rememorizing code as they move to the next course, students will have the problem-solving skills to think and work in more sophisticated and creative ways.

Keywords: Algorithms, CASE, Problem-solving, UML.

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4629 Application of Hermite-Rodriguez Functions to Pulse Shaping Analog Filter Design

Authors: Mohd Amaluddin Yusoff

Abstract:

In this paper, we consider the design of pulse shaping filter using orthogonal Hermite-Rodriguez basis functions. The pulse shaping filter design problem has been formulated and solved as a quadratic programming problem with linear inequality constraints. Compared with the existing approaches reported in the literature, the use of Hermite-Rodriguez functions offers an effective alternative to solve the constrained filter synthesis problem. This is demonstrated through a numerical example which is concerned with the design of an equalization filter for a digital transmission channel.

Keywords: channel equalization filter, Hermite-Rodriguez, pulseshaping filter, quadratic programming.

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4628 A Nodal Transmission Pricing Model based on Newly Developed Expressions of Real and Reactive Power Marginal Prices in Competitive Electricity Markets

Authors: Ashish Saini, A.K. Saxena

Abstract:

In competitive electricity markets all over the world, an adoption of suitable transmission pricing model is a problem as transmission segment still operates as a monopoly. Transmission pricing is an important tool to promote investment for various transmission services in order to provide economic, secure and reliable electricity to bulk and retail customers. The nodal pricing based on SRMC (Short Run Marginal Cost) is found extremely useful by researchers for sending correct economic signals. The marginal prices must be determined as a part of solution to optimization problem i.e. to maximize the social welfare. The need to maximize the social welfare subject to number of system operational constraints is a major challenge from computation and societal point of views. The purpose of this paper is to present a nodal transmission pricing model based on SRMC by developing new mathematical expressions of real and reactive power marginal prices using GA-Fuzzy based optimal power flow framework. The impacts of selecting different social welfare functions on power marginal prices are analyzed and verified with results reported in literature. Network revenues for two different power systems are determined using expressions derived for real and reactive power marginal prices in this paper.

Keywords: Deregulation, electricity markets, nodal pricing, social welfare function, short run marginal cost.

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4627 Solving Machine Loading Problem in Flexible Manufacturing Systems Using Particle Swarm Optimization

Authors: S. G. Ponnambalam, Low Seng Kiat

Abstract:

In this paper, a particle swarm optimization (PSO) algorithm is proposed to solve machine loading problem in flexible manufacturing system (FMS), with bicriterion objectives of minimizing system unbalance and maximizing system throughput in the occurrence of technological constraints such as available machining time and tool slots. A mathematical model is used to select machines, assign operations and the required tools. The performance of the PSO is tested by using 10 sample dataset and the results are compared with the heuristics reported in the literature. The results support that the proposed PSO is comparable with the algorithms reported in the literature.

Keywords: Machine loading problem, FMS, Particle Swarm Optimization.

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4626 Comparison between the Conventional Methods and PSO Based MPPT Algorithm for Photovoltaic Systems

Authors: Ramdan B. A. Koad, Ahmed. F. Zobaa

Abstract:

Since the output characteristics of photovoltaic (PV) system depends on the ambient temperature, solar radiation and load impedance, its maximum power point (MPP) is not constant. Under each condition PV module has a point at which it can produce its MPP. Therefore, a maximum power point tracking (MPPT) method is needed to uphold the PV panel operating at its MPP. This paper presents comparative study between the conventional MPPT methods used in (PV) system: Perturb and Observe (P&O), Incremental Conductance (IncCond), andParticle Swarm Optimization (PSO) algorithmfor (MPPT) of (PV) system. To evaluate the study, the proposed PSO MPPT is implemented on a DC-DC cuk converter and has been compared with P&O and INcond methods in terms of their tracking speed, accuracy and performance by using the Matlab tool Simulink. The simulation result shows that the proposed algorithm is simple, and is superior to the P&O and IncCond methods.

Keywords: Incremental Conductance (IncCond) Method, Perturb and Observe (P&O) Method, Photovoltaic Systems (PV) and Practical Swarm Optimization Algorithm (PSO).

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4625 On the Solution of the Towers of Hanoi Problem

Authors: Hayedeh Ahrabian, Comfar Badamchi, Abbass Nowzari-Dalini

Abstract:

In this paper, two versions of an iterative loopless algorithm for the classical towers of Hanoi problem with O(1) storage complexity and O(2n) time complexity are presented. Based on this algorithm the number of different moves in each of pegs with its direction is formulated.

Keywords: Loopless algorithm, Binary tree, Towers of Hanoi.

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4624 A Virtual Grid Based Energy Efficient Data Gathering Scheme for Heterogeneous Sensor Networks

Authors: Siddhartha Chauhan, Nitin Kumar Kotania

Abstract:

Traditional Wireless Sensor Networks (WSNs) generally use static sinks to collect data from the sensor nodes via multiple forwarding. Therefore, network suffers with some problems like long message relay time, bottle neck problem which reduces the performance of the network.

Many approaches have been proposed to prevent this problem with the help of mobile sink to collect the data from the sensor nodes, but these approaches still suffer from the buffer overflow problem due to limited memory size of sensor nodes. This paper proposes an energy efficient scheme for data gathering which overcomes the buffer overflow problem. The proposed scheme creates virtual grid structure of heterogeneous nodes. Scheme has been designed for sensor nodes having variable sensing rate. Every node finds out its buffer overflow time and on the basis of this cluster heads are elected. A controlled traversing approach is used by the proposed scheme in order to transmit data to sink. The effectiveness of the proposed scheme is verified by simulation.

Keywords: Buffer overflow problem, Mobile sink, Virtual grid, Wireless sensor networks.

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4623 Monitoring the Fiscal Health of Taiwan’s Local Government: Application of the 10-Point Scale of Fiscal Distress

Authors: Yuan-Hong Ho, Chiung-Ju Huang

Abstract:

This article presents a monitoring indicators system that predicts whether a local government in Taiwan is heading for fiscal distress and identifies a suitable fiscal policy that would allow the local government to achieve fiscal balance in the long run. This system is relevant to stockholders’ interest, simple for national audit bodies to use, and provides an early warning of fiscal distress that allows preventative action to be taken.

Keywords: Fiscal distress, fiscal health, monitoring signals, 10-point scale.

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4622 GSM Based Smart Patient Monitoring System

Authors: Ayman M. Mansour

Abstract:

In this paper, we propose an intelligent system that is used for monitoring the health conditions of patients. Monitoring the health condition of patients is a complex problem that involves different medical units and requires continuous monitoring especially in rural areas because of inadequate number of available specialized physicians. The proposed system will improve patient care and drive costs down comparing to the existing system in Jordan. The proposed system will be the start point to faster and improve the communication between different units in the health system in Jordan. Connecting patients and their physicians beyond hospital doors regarding their geographical area is an important issue in developing the health system in Jordan. The ability of making medical decisions, the quality of medical is expected to be improved.

Keywords: GSM, SMS, Patient, Monitoring system, Fuzzy Logic, Multi-agent system.

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4621 Solving the Quadratic Assignment Problems by a Genetic Algorithm with a New Replacement Strategy

Authors: Yongzhong Wu, Ping Ji

Abstract:

This paper proposes a genetic algorithm based on a new replacement strategy to solve the quadratic assignment problems, which are NP-hard. The new replacement strategy aims to improve the performance of the genetic algorithm through well balancing the convergence of the searching process and the diversity of the population. In order to test the performance of the algorithm, the instances in QAPLIB, a quadratic assignment problem library, are tried and the results are compared with those reported in the literature. The performance of the genetic algorithm is promising. The significance is that this genetic algorithm is generic. It does not rely on problem-specific genetic operators, and may be easily applied to various types of combinatorial problems.

Keywords: Quadratic assignment problem, Genetic algorithm, Replacement strategy, QAPLIB.

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4620 Design of Quality Assessment System for On-Orbit 3D Printing Based on 3D Reconstruction Technology

Authors: Jianning Tang, Xiaofeng Wu

Abstract:

With the increasing demand for space use in multiple sectors (navigation, telecommunication, imagery, etc.), the deployment and maintenance demand of satellites are growing. Considering the high launching cost and the restrictions on weight and size of the payload when using launch vehicle, the technique of on-orbit manufacturing has obtained more attention because of its significant potential to support future space missions. 3D printing is the most promising manufacturing technology that could be applied in space. However, due to the lack of autonomous quality assessment, the operation of conventional 3D printers still relies on human presence to supervise the printing process. This paper is proposed to develop an automatic 3D reconstruction system aiming at detecting failures on the 3D printed objects through application of point cloud technology. Based on the data obtained from the point cloud, the 3D printer could locate the failure and repair the failure. The system will increase automation and provide 3D printing with more feasibilities for space use without human interference.

Keywords: 3D printing, quality assessment, point cloud, on-orbit manufacturing.

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4619 The Applications of Quantum Mechanics Simulation for Solvent Selection in Chemicals Separation

Authors: Attapong T., Hong-Ming Ku, Nakarin M., Narin L., Alisa L, Jirut W.

Abstract:

The quantum mechanics simulation was applied for calculating the interaction force between 2 molecules based on atomic level. For the simple extractive distillation system, it is ternary components consisting of 2 closed boiling point components (A,lower boiling point and B, higher boiling point) and solvent (S). The quantum mechanics simulation was used to calculate the intermolecular force (interaction force) between the closed boiling point components and solvents consisting of intermolecular between A-S and B-S. The requirement of the promising solvent for extractive distillation is that solvent (S) has to form stronger intermolecular force with only one component than the other component (A or B). In this study, the systems of aromatic-aromatic, aromatic-cycloparaffin, and paraffindiolefin systems were selected as the demonstration for solvent selection. This study defined new term using for screening the solvents called relative interaction force which is calculated from the quantum mechanics simulation. The results showed that relative interaction force gave the good agreement with the literature data (relative volatilities from the experiment). The reasons are discussed. Finally, this study suggests that quantum mechanics results can improve the relative volatility estimation for screening the solvents leading to reduce time and money consuming

Keywords: Extractive distillation, Interaction force, Quamtum mechanic, Relative volatility, Solvent extraction.

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