Search results for: Quaternion linear functional.
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2381

Search results for: Quaternion linear functional.

1421 Sampled-Data Control for Fuel Cell Systems

Authors: H. Y. Jung, Ju H. Park, S. M. Lee

Abstract:

Sampled-data controller is presented for solid oxide fuel cell systems which is expressed by a sector bounded nonlinear model. The proposed control law is obtained by solving a convex problem satisfying several linear matrix inequalities. Simulation results are given to show the effectiveness of the proposed design method.

Keywords: Sampled-data control, Sector bound, Solid oxide fuel cell, Time-delay.

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1420 Green Bridges and Their Migration Potential

Authors: Jaroslav Žák, Aleš Florian

Abstract:

Green bridges enable wildlife to pass through linear structures, especially freeways. The term migration potential is used to quantify their functionality. The proposed methodology for determining migration potential eliminates the mathematical, systematic and ecological inaccuracies of previous methodologies and provides a reliable tool for designers and environmentalists. The methodology is suited especially to medium-sized and large mammals, is mathematically correct, and its correspondence with reality was tested by monitoring existing green bridges. 

Keywords: Green bridges, migration potential, partial probabilities, wildlife migration.

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1419 Neural Networks: From Black Box towards Transparent Box Application to Evapotranspiration Modeling

Authors: A. Johannet, B. Vayssade, D. Bertin

Abstract:

Neural networks are well known for their ability to model non linear functions, but as statistical methods usually does, they use a no parametric approach thus, a priori knowledge is not obvious to be taken into account no more than the a posteriori knowledge. In order to deal with these problematics, an original way to encode the knowledge inside the architecture is proposed. This method is applied to the problem of the evapotranspiration inside karstic aquifer which is a problem of huge utility in order to deal with water resource.

Keywords: Neural-Networks, Hydrology, Evapotranpiration, Hidden Function Modeling.

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1418 Bifurcation Analysis in a Two-neuron System with Different Time Delays

Authors: Changjin Xu

Abstract:

In this paper, we consider a two-neuron system with time-delayed connections between neurons. By analyzing the associated characteristic transcendental equation, its linear stability is investigated and Hopf bifurcation is demonstrated. Some explicit formulae for determining the stability and the direction of the Hopf bifurcation periodic solutions bifurcating from Hopf bifurcations are obtained by using the normal form theory and center manifold theory. Some numerical simulation results are given to support the theoretical predictions. Finally, main conclusions are given.

Keywords: Two-neuron system, delay, stability, Hopf bifurcation.

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1417 Self – Tuning Method of Fuzzy System: An Application on Greenhouse Process

Authors: M. Massour El Aoud, M. Franceschi, M. Maher

Abstract:

The approach proposed here is oriented in the direction of fuzzy system for the analysis and the synthesis of intelligent climate controllers, the simulation of the internal climate of the greenhouse is achieved by a linear model whose coefficients are obtained by identification. The use of fuzzy logic controllers for the regulation of climate variables represents a powerful way to minimize the energy cost. Strategies of reduction and optimization are adopted to facilitate the tuning and to reduce the complexity of the controller.

Keywords: Greenhouse, fuzzy logic, optimization, gradient descent.

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1416 Bee Parameter Determination via Weighted Centriod Modified Simplex and Constrained Response Surface Optimisation Methods

Authors: P. Luangpaiboon

Abstract:

Various intelligences and inspirations have been adopted into the iterative searching process called as meta-heuristics. They intelligently perform the exploration and exploitation in the solution domain space aiming to efficiently seek near optimal solutions. In this work, the bee algorithm, inspired by the natural foraging behaviour of honey bees, was adapted to find the near optimal solutions of the transportation management system, dynamic multi-zone dispatching. This problem prepares for an uncertainty and changing customers- demand. In striving to remain competitive, transportation system should therefore be flexible in order to cope with the changes of customers- demand in terms of in-bound and outbound goods and technological innovations. To remain higher service level but lower cost management via the minimal imbalance scenario, the rearrangement penalty of the area, in each zone, including time periods are also included. However, the performance of the algorithm depends on the appropriate parameters- setting and need to be determined and analysed before its implementation. BEE parameters are determined through the linear constrained response surface optimisation or LCRSOM and weighted centroid modified simplex methods or WCMSM. Experimental results were analysed in terms of best solutions found so far, mean and standard deviation on the imbalance values including the convergence of the solutions obtained. It was found that the results obtained from the LCRSOM were better than those using the WCMSM. However, the average execution time of experimental run using the LCRSOM was longer than those using the WCMSM. Finally a recommendation of proper level settings of BEE parameters for some selected problem sizes is given as a guideline for future applications.

Keywords: Meta-heuristic, Bee Algorithm, Dynamic Multi-Zone Dispatching, Linear Constrained Response SurfaceOptimisation Method, Weighted Centroid Modified Simplex Method

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1415 Estimating the Life-Distribution Parameters of Weibull-Life PV Systems Utilizing Non-Parametric Analysis

Authors: Saleem Z. Ramadan

Abstract:

In this paper, a model is proposed to determine the life distribution parameters of the useful life region for the PV system utilizing a combination of non-parametric and linear regression analysis for the failure data of these systems. Results showed that this method is dependable for analyzing failure time data for such reliable systems when the data is scarce.

Keywords: Masking, Bathtub model, reliability, non-parametric analysis, useful life.

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1414 Micropower Composite Nanomaterials Based on Porous Silicon for Renewable Energy Sources

Authors: Alexey P. Antropov, Alexander V. Ragutkin, Nicolay A. Yashtulov

Abstract:

The original controlled technology for power active nanocomposite membrane-electrode assembly engineering on the basis of porous silicon is presented. The functional nanocomposites were studied by electron microscopy and cyclic voltammetry methods. The application possibility of the obtained nanocomposites as high performance renewable energy sources for micro-power electronic devices is demonstrated.

Keywords: Cyclic voltammetry, electron microscopy, nanotechnology, platinum-palladium nanocomposites, porous silicon, power activity, renewable energy sources.

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1413 Development of Moving Multifocal Electroretinogram with a Precise Perimetry Apparatus

Authors: Naoto Suzuki

Abstract:

A decline in visual sensitivity at arbitrary points on the retina can be measured using a precise perimetry apparatus along with a fundus camera. However, the retinal layer associated with this decline cannot be identified accurately with current medical technology. To investigate cryptogenic diseases, such as macular dystrophy, acute zonal occult outer retinopathy (AZOOR), and multiple evanescent white dot syndrome (MEWDS), we evaluated an electroretinogram (ERG) function that allows moving the center of the multifocal hexagonal stimulus array to a chosen position. Macular dystrophy is a generalized term used for a variety of functional disorders of the macula lutea, and the ERG shows a diminution of the b-wave in these disorders. AZOOR causes an acute functional disorder to an outer layer of the retina, and the ERG shows a-wave and b-wave amplitude reduction as well as delayed 30 Hz flicker responses. MEWDS causes acute visual loss and the ERG shows a decrease in a-wave amplitude. We combined an electroretinographic optical system and a perimetric optical system into an experimental apparatus that has the same optical system as that of a fundus camera. We also deployed an EO-50231 Edmund infrared camera, a 45-degree cold mirror, a lens with a 25-mm focal length, a halogen lamp, and an 8-inch monitor. Then, we also employed a differential amplifier with gain 10, a 50 Hz notch filter, a high-pass filter with a 21.2 Hz cut-off frequency, and two non-inverting amplifiers with gains 1001 and 11. In addition, we used a USB-6216 National Instruments I/O device, a NE-113A Nihon Kohden plate electrode, a SCB-68A shielded connector block, and LabVIEW 2017 software for data retrieval. The software was used to generate the multifocal hexagonal stimulus array on the computer monitor with C++Builder 10.2 and to move the center of the array toward the left and right and up and down. Cone and bright flash ERG results were observed using the moving ERG function. The a-wave, b-wave, c-wave, and the photopic negative response were identified with cone ERG. The moving ERG function allowed the identification of the retinal layer causing visual alterations.

Keywords: Moving ERG, multifocal ERG, precise perimetry, retinal layers, visual sensitivity

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1412 Genetic Variants and Atherosclerosis

Authors: M. Seifi, A. Ghasemi, M. Khosravi, M. Salimi, S. Jahandideh, J. Sherizadeh, F. S. Hashemizadeh, R. Khodaei

Abstract:

Atherosclerosis is the condition in which an artery wall thickens as the result of a build-up of fatty materials such as cholesterol. It is a syndrome affecting arterial blood vessels, a chronic inflammatory response in the walls of arteries, in large part due to the accumulation of macrophage white blood cells and promoted by low density (especially small particle) lipoproteins (plasma proteins that carry cholesterol and triglycerides) without adequate removal of fats and cholesterol from the macrophages by functional high density lipoproteins (HDL). It is commonly referred to as a hardening or furring of the arteries. It is caused by the formation of multiple plaques within the arteries.

Keywords: Arterial blood vessels, atherosclerosis, cholesterol.

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1411 Synthesis of Filtering in Stochastic Systems on Continuous-Time Memory Observations in the Presence of Anomalous Noises

Authors: S. Rozhkova, O. Rozhkova, A. Harlova, V. Lasukov

Abstract:

We have conducted the optimal synthesis of rootmean- squared objective filter to estimate the state vector in the case if within the observation channel with memory the anomalous noises with unknown mathematical expectation are complement in the function of the regular noises. The synthesis has been carried out for linear stochastic systems of continuous - time.

Keywords: Mathematical expectation, filtration, anomalous noise, memory.

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1410 Structural and Optical Properties of CdSiP2 and CdSiAs2 Nonlinear Optical Materials

Authors: N. N. Omehe

Abstract:

CdSiP2 and CdsiAs2 are nonlinear optical materials for near and mid-infrared applications. Density functional theory has been applied to study the structure, band gap, and optical properties of these materials. The pseudopotential method was used in the form of projector augmented wave (PAW) and norm-conserving, the band structure calculations yielded a band gap of 1.55 eV and 0.88 eV for CdSiP2 and CdsiAs2 respectively. The values of ε1(ω)  from the doelectric function calculations are 15 and 14.9 CdSiP2 and CdsiAs2 respectively.

Keywords: Band structure, chalcopyrite, near-infrared materials, mid-infrared materials, nonlinear material, optical properties.

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1409 Dynamic Attribute Dependencies in Relational Attribute Grammars

Authors: K. Barbar, M. Dehayni, A. Awada, M. Smaili

Abstract:

Considering the theory of attribute grammars, we use logical formulas instead of traditional functional semantic rules. Following the decoration of a derivation tree, a suitable algorithm should maintain the consistency of the formulas together with the evaluation of the attributes. This may be a Prolog-like resolution, but this paper examines a somewhat different strategy, based on production specialization, local consistency and propagation: given a derivation tree, it is interactively decorated, i.e. incrementally checked and evaluated. The non-directed dependencies are dynamically directed during attribute evaluation.

Keywords: Input/Output attribute grammars, local consistency, logical programming, propagation, relational attribute grammars.

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1408 Multifunctional Cell Processing with Plasmonic Nanobubbles

Authors: Ekaterina Y. Lukianova-Hleb, Dmitri O. Lapotko

Abstract:

Cell processing techniques for gene and cell therapies use several separate procedures for gene transfer and cell separation or elimination, because no current technology can offer simultaneous multi-functional processing of specific cell sub-sets in heterogeneous cell systems. Using our novel on-demand nonstationary intracellular events instead of permanent materials, plasmonic nanobubbles, generated with a short laser pulse only in target cells, we achieved simultaneous multifunctional cell-specific processing with the rate up to 50 million cells per minute.

Keywords: Delivery, cell separation, graft, laser, plasmonic nanobubble, cell therapy, gold nanoparticle.

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1407 Axisymmetric Vibrations of Layered Cylindrical Shells with Cracks

Authors: Larissa Roots

Abstract:

Vibrations of circular cylindrical shells made of layered composite materials are considered. The shells are weakened by circumferential cracks. The influence of circumferential cracks with constant depth on the vibration of the shell is prescribed with the aid of a matrix of local flexibility coupled with the coefficient of the stress intensity known in the linear elastic fracture mechanics. Numerical results are presented for the case of the shell with one circular crack.

Keywords: Layered shell, axisymmetric vibration, crack.

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1406 The Banzhaf-Owen Value for Fuzzy Games with a Coalition Structure

Authors: Fan-Yong Meng

Abstract:

In this paper, a generalized form of the Banzhaf-Owen value for cooperative fuzzy games with a coalition structure is proposed. Its axiomatic system is given by extending crisp case. In order to better understand the Banzhaf-Owen value for fuzzy games with a coalition structure, we briefly introduce the Banzhaf-Owen values for two special kinds of fuzzy games with a coalition structure, and give their explicit forms.

Keywords: Cooperative fuzzy game, Banzhaf-Owen value, multi linear extension, Choquet integral.

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1405 Dynamics and Feedback Control for a New Hyperchaotic System

Authors: Kejun Zhuang, Hailong Zhu

Abstract:

In this paper, stability and Hopf bifurcation analysis of a novel hyperchaotic system are investigated. Four feedback control strategies, the linear feedback control method, enhancing feedback control method, speed feedback control method and delayed feedback control method, are used to control the hyperchaotic attractor to unstable equilibrium. Moreover numerical simulations are given to verify the theoretical results.

Keywords: Feedback control, Hopf bifurcation, hyperchaotic system, stability.

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1404 Analysis and Prototyping of Biological Systems: the Abstract Biological Process Model

Authors: Antonio Di Leva, Roberto Berchi, Gianpiero Pescarmona, Michele Sonnessa

Abstract:

The aim of a biological model is to understand the integrated structure and behavior of complex biological systems as a function of the underlying molecular networks to achieve simulation and forecast of their operation. Although several approaches have been introduced to take into account structural and environment related features, relatively little attention has been given to represent the behavior of biological systems. The Abstract Biological Process (ABP) model illustrated in this paper is an object-oriented model based on UML (the standard object-oriented language). Its main objective is to bring into focus the functional aspects of the biological system under analysis.

Keywords: Biological processes, system dynamics, systemmodeling, UML.

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1403 Extraction of Bran Protein Using Enzymes and Polysaccharide Precipitation

Authors: Sudarat Jiamyangyuen, Tipawan Thongsook, Riantong Singanusong, Chanida Saengtubtim

Abstract:

Rice bran is normally used as a raw material for rice bran oil production or sold as feed with a low price. Conventionally, the protein in defatted rice bran was extracted using alkaline extraction and acid precipitation, which involves in chemical usage and lowering some nutritious component. This study was conducted in order to extract of rice bran protein concentrate (RBPC) from defatted rice bran using enzymes and employing polysaccharides in a precipitating step. The properties of RBPC obtained will be compared to those of a control sample extracted using a conventional method. The results showed that extraction of protein from rice bran using enzymes exhibited the higher protein recovery compared to that extraction with alkaline. The extraction conditions using alcalase 2% (v/w) at 50 C, pH 9.5 gave the highest protein (2.44%) and yield (32.09%) in extracted solution compared to other enzymes. Rice bran protein concentrate powder prepared by a precipitation step using alginate (protein in solution: alginate 1:0.016) exhibited the highest protein (27.55%) and yield (6.84%). Precipitation using alginate was better than that of acid. RBPC extracted with alkaline (ALK) or enzyme alcalase (ALC), then precipitated with alginate (AL) (samples RBP-ALK-AL and RBP-ALC-AL) yielded the precipitation rate of 75% and 91.30%, respectively. Therefore, protein precipitation using alginate was then selected. Amino acid profile of control sample, and sample precipitated with alginate, as compared to casein and soy protein isolated, showed that control sample showed the highest content among all sample. Functional property study of RBP showed that the highest nitrogen solubility occurred in pH 8-10. There was no statically significant between emulsion capacity and emulsion stability of control and sample precipitated by alginate. However, control sample showed a higher of foaming capacity and foaming stability compared to those of sample precipitated with alginate. The finding was successful in terms of minimizing chemicals used in extraction and precipitation steps in preparation of rice bran protein concentrate. This research involves in a production of value-added product in which the double amount of protein (28%) compared to original amount (14%) contained in rice bran could be beneficial in terms of adding to food products e.g. healthy drink with high protein and fiber. In addition, the basic knowledge of functional property of rice bran protein concentrate was obtained, which can be used to appropriately select the application of this value-added product from rice bran.

Keywords: Alginate, carrageenan, rice bran, rice bran protein.

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1402 Positive Solutions for Semipositone Discrete Eigenvalue Problems via Three Critical Points Theorem

Authors: Benshi Zhu

Abstract:

In this paper, multiple positive solutions for semipositone discrete eigenvalue problems are obtained by using a three critical points theorem for nondifferentiable functional.

Keywords: Discrete eigenvalue problems, positive solutions, semipositone, three critical points theorem

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1401 Asynchronous Microcontroller Simulation Model in VHDL

Authors: M. Kovac

Abstract:

This article describes design of the 8-bit asynchronous microcontroller simulation model in VHDL. The model is created in ISE Foundation design tool and simulated in Modelsim tool. This model is a simple application example of asynchronous systems designed in synchronous design tools. The design process of creating asynchronous system with 4-phase bundled-data protocol and with matching delays is described in the article. The model is described in gate-level abstraction. The simulation waveform of the functional construction is the result of this article. Described construction covers only the simulation model. The next step would be creating synthesizable model to FPGA.

Keywords: Asynchronous, Microcontroller, VHDL, FPGA.

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1400 Fusion Filters Weighted by Scalars and Matrices for Linear Systems

Authors: Seok Hyoung Lee, Vladimir Shin

Abstract:

An optimal mean-square fusion formulas with scalar and matrix weights are presented. The relationship between them is established. The fusion formulas are compared on the continuous-time filtering problem. The basic differential equation for cross-covariance of the local errors being the key quantity for distributed fusion is derived. It is shown that the fusion filters are effective for multi-sensor systems containing different types of sensors. An example demonstrating the reasonable good accuracy of the proposed filters is given.

Keywords: Kalman filtering, fusion formula, multi-sensor, mean-square error.

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1399 Extending Global Full Orthogonalization method for Solving the Matrix Equation AXB=F

Authors: Fatemeh Panjeh Ali Beik

Abstract:

In the present work, we propose a new method for solving the matrix equation AXB=F . The new method can be considered as a generalized form of the well-known global full orthogonalization method (Gl-FOM) for solving multiple linear systems. Hence, the method will be called extended Gl-FOM (EGl- FOM). For implementing EGl-FOM, generalized forms of block Krylov subspace and global Arnoldi process are presented. Finally, some numerical experiments are given to illustrate the efficiency of our new method.

Keywords: Matrix equations, Iterative methods, Block Krylovsubspace methods.

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1398 Mechanical Properties of Enset Fibers Obtained from Different Breeds of Enset Plant

Authors: Diriba T. Balcha, Boris Kulig, Oliver Hensel, Eyassu Woldesenbet

Abstract:

Enset fiber is agricultural waste and available in a surplus amount in Ethiopia. However, the hypothesized variation in properties of this fiber due to diversity of its plant source breed, fiber position within plant stem and chemical treatment duration had not proven that its application for the development of composite products is problematic. Currently, limited data are known on the functional properties of the fiber as a potential functional fiber. Thus, an effort is made in this study to narrow the knowledge gaps by characterizing it. The experimental design was conducted using Design-Expert software and the tensile test was conducted on Enset fiber from 10 breeds: Dego, Dirbo, Gishera, Itine, Siskela, Neciho, Yesherkinke, Tuzuma, Ankogena, and Kucharkia. The effects of 5% Na-OH surface treatment duration and fiber location along and across the plant pseudostem was also investigated. The test result shows that the rupture stress variation is not significant among the fibers from 10 Enset breeds. However, strain variation is significant among the fibers from 10 Enset breeds that breed Dego fiber has the highest strain before failure. Surface treated fibers showed improved rupture strength and elastic modulus per 24 hours of treatment duration. Also, the result showed that chemical treatment can deteriorate the load-bearing capacity of the fiber. The raw fiber has the higher load-bearing capacity than the treated fiber. And, it was noted that both the rupture stress and strain increase in the top to bottom gradient, whereas there is no significant variation across the stem. Elastic modulus variation both along and across the stem was insignificant. The rupture stress, elastic modulus, and strain result of Enset fiber are 360.11 ± 181.86 MPa, 12.80 ± 6.85 GPa and 0.04 ± 0.02 mm/mm, respectively. These results show that Enset fiber is comparable to other natural fibers such as abaca, banana, and sisal fibers and can be used as alternatives natural fiber for composites application. Besides, the insignificant variation of properties among breeds and across stem is essential for all breeds and all leaf sheath of the Enset fiber plant for fiber extraction. The use of short natural fiber over the long is preferable to reduce the significant variation of properties along the stem or fiber direction. In conclusion, Enset fiber application for composite product design and development is mechanically feasible.

Keywords: Agricultural waste, chemical treatment, fiber characteristics, natural fiber.

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1397 Mean Square Stability of Impulsive Stochastic Delay Differential Equations with Markovian Switching and Poisson Jumps

Authors: Dezhi Liu

Abstract:

In the paper, based on stochastic analysis theory and Lyapunov functional method, we discuss the mean square stability of impulsive stochastic delay differential equations with markovian switching and poisson jumps, and the sufficient conditions of mean square stability have been obtained. One example illustrates the main results. Furthermore, some well-known results are improved and generalized in the remarks.

Keywords: Impulsive, stochastic, delay, Markovian switching, Poisson jumps, mean square stability.

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1396 A Dual Method for Solving General Convex Quadratic Programs

Authors: Belkacem Brahmi, Mohand Ouamer Bibi

Abstract:

In this paper, we present a new method for solving quadratic programming problems, not strictly convex. Constraints of the problem are linear equalities and inequalities, with bounded variables. The suggested method combines the active-set strategies and support methods. The algorithm of the method and numerical experiments are presented, while comparing our approach with the active set method on randomly generated problems.

Keywords: Convex quadratic programming, dual support methods, active set methods.

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1395 Double Flux Orientation Control for a Doubly Fed Induction Machine

Authors: A. Ourici

Abstract:

Doubly fed induction machines DFIM are used mainly for wind energy conversion in MW power plants. This paper presents a new strategy of field oriented control ,it is based on the principle of a double flux orientation of stator and rotor at the same time. Therefore, the orthogonality created between the two oriented fluxes, which must be strictly observed, leads to generate a linear and decoupled control with an optimal torque. The obtained simulation results show the feasibility and the effectiveness of the suggested method.

Keywords: Doubly fed induction machine, double fluxorientation control , vector control , PWM inverter.

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1394 Improved Computational Efficiency of Machine Learning Algorithms Based on Evaluation Metrics to Control the Spread of Coronavirus in the UK

Authors: Swathi Ganesan, Nalinda Somasiri, Rebecca Jeyavadhanam, Gayathri Karthick

Abstract:

The COVID-19 crisis presents a substantial and critical hazard to worldwide health. Since the occurrence of the disease in late January 2020 in the UK, the number of infected people confirmed to acquire the illness has increased tremendously across the country, and the number of individuals affected is undoubtedly considerably high. The purpose of this research is to figure out a predictive machine learning (ML) archetypal that could forecast the COVID-19 cases within the UK. This study concentrates on the statistical data collected from 31st January 2020 to 31st March 2021 in the United Kingdom. Information on total COVID-19 cases registered, new cases encountered on a daily basis, total death registered, and patients’ death per day due to Coronavirus is collected from World Health Organization (WHO). Data preprocessing is carried out to identify any missing values, outliers, or anomalies in the dataset. The data are split into 8:2 ratio for training and testing purposes to forecast future new COVID-19 cases. Support Vector Machine (SVM), Random Forest (RF), and linear regression (LR) algorithms are chosen to study the model performance in the prediction of new COVID-19 cases. From the evaluation metrics such as r-squared value and mean squared error, the statistical performance of the model in predicting the new COVID-19 cases is evaluated. RF outperformed the other two ML algorithms with a training accuracy of 99.47% and testing accuracy of 98.26% when n = 30. The mean square error obtained for RF is 4.05e11, which is lesser compared to the other predictive models used for this study. From the experimental analysis, RF algorithm can perform more effectively and efficiently in predicting the new COVID-19 cases, which could help the health sector to take relevant control measures for the spread of the virus.

Keywords: COVID-19, machine learning, supervised learning, unsupervised learning, linear regression, support vector machine, random forest.

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1393 Solving of the Fourth Order Differential Equations with the Neumann Problem

Authors: Marziyeh Halimi, Roushanak Lotfikar, Simin Mansouri Borojeni

Abstract:

In this paper we considered the Neumann problem for the fourth order differential equation. First we define the weighted Sobolev space 2 Wα and generalized solution for this equation. Then we consider the existence and uniqueness of the generalized solution, as well as give the description of the spectrum and of the domain of definition of the corresponding operator.

Keywords: Neumann problem, weighted Sobolev spaces, generalized solution, spectrum of linear operators.2000 mathematic subject classification: 34A05, 34A30.

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1392 Description of Kinetics of Propane Fragmentation with a Support of Ab Initio Simulation

Authors: Amer Al Mahmoud Alsheikh, Jan Žídek, František Krčma

Abstract:

Using ab initio theoretical calculations, we present analysis of fragmentation process. The analysis is performed in two steps. The first step is calculation of fragmentation energies by ab initio calculations. The second step is application of the energies to kinetic description of process. The energies of fragments are presented in this paper. The kinetics of fragmentation process can be described by numerical models. The method for kinetic analysis is described in this paper. The result - composition of fragmentation products - will be calculated in future. The results from model can be compared to the concentrations of fragments from mass spectrum.

Keywords: Ab initio, Density functional theory, Fragmentation energy, Geometry optimization.

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