Search results for: Hamilton's principle of least action
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 970

Search results for: Hamilton's principle of least action

670 Chemistry and Biological Activity of Feed Additive for Poultry Farming

Authors: Malkhaz Jokhadze, Vakhtang Mshvildadze, Levan Makaradze, Ekaterine Mosidze, Salome Barbaqadze, Mariam Murtazashvili, Dali Berashvili, Koba sivsivadze, Lasha Bakuridze, Aliosha Bakuridze

Abstract:

Essential oils are one of the most important groups of biologically active substances present in plants. Due to the chemical diversity of components, essential oils and their preparations have a wide spectrum of pharmacological action. They have bactericidal, antiviral, fungicidal, antiprotozoal, anti-inflammatory, spasmolytic, sedative and other activities. They are expectorant, spasmolytic, sedative, hypotensive, secretion enhancing, antioxidant remedies. Based on preliminary pharmacological studies, we have developed a formulation called “Phytobiotic” containing essential oils, a feed additive for poultry as an alternative to antibiotics. Phytobiotic is a water-soluble powder containing a composition of essential oils of thyme, clary, monarda and auxiliary substances: dry extract of liquorice and inhalation lactose. On this stage of research, the goal was to study the chemical composition of provided phytobiotic, identify the main substances and determine their quantity, investigate the biological activity of phytobiotic through in vitro and in vivo studies. Using gas chromatography-mass spectrometry, 38 components were identified in phytobiotic, representing acyclic-, monocyclic-, bicyclic-, and sesquiterpenes. Together with identification of main active substances, their quantitative content was determined, including acyclic terpene alcohol β-linalool, acyclic terpene ketone linalyl acetate, monocyclic terpenes: D-limonene and γ-terpinene, monocyclic aromatic terpene thymol. Provided phytobiotic has pronounced and at the same time broad spectrum of antibacterial activity. In the cell model, phytobiotic showed weak antioxidant activity, and it was stronger in the ORAC (chemical model) tests. Meanwhile anti-inflammatory activity was also observed. When fowls were supplied feed enriched with phytobiotic, it was observed that gained weight of the chickens in the experimental group exceeded the same data for the control group during the entire period of the experiment. The survival rate of broilers in the experimental group during the growth period was 98% compared to -94% in the control group. As a result of conducted researches probable four different mechanisms which are important for the action of phytobiotics were identified: sensory, metabolic, antioxidant and antibacterial action. General toxic, possible local irritant and allergenic effects of phytobiotic were also investigated. Performed assays proved that formulation is safe.

Keywords: Clary, essential oils, monarda, phytobiotics, poultry, thyme.

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669 The Spectral Power Amplification on the Regular Lattices

Authors: Kotbi Lakhdar, Hachi Mostefa

Abstract:

We show that a simple transformation between the regular lattices (the square, the triangular, and the honeycomb) belonging to the same dimensionality can explain in a natural way the universality of the critical exponents found in phase transitions and critical phenomena. It suffices that the Hamiltonian and the lattice present similar writing forms. In addition, it appears that if a property can be calculated for a given lattice then it can be extrapolated simply to any other lattice belonging to the same dimensionality. In this study, we have restricted ourselves on the spectral power amplification (SPA), we note that the SPA does not have an effect on the critical exponents but does have an effect by the criticality temperature of the lattice; the generalisation to other lattice could be shown according to the containment principle.

Keywords: Ising model, phase transitions, critical temperature, critical exponent, spectral power amplification.

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668 Generating Normally Distributed Clusters by Means of a Self-organizing Growing Neural Network– An Application to Market Segmentation –

Authors: Reinhold Decker, Christian Holsing, Sascha Lerke

Abstract:

This paper presents a new growing neural network for cluster analysis and market segmentation, which optimizes the size and structure of clusters by iteratively checking them for multivariate normality. We combine the recently published SGNN approach [8] with the basic principle underlying the Gaussian-means algorithm [13] and the Mardia test for multivariate normality [18, 19]. The new approach distinguishes from existing ones by its holistic design and its great autonomy regarding the clustering process as a whole. Its performance is demonstrated by means of synthetic 2D data and by real lifestyle survey data usable for market segmentation.

Keywords: Artificial neural network, clustering, multivariatenormality, market segmentation, self-organization

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667 Electrochemical Response Transductions of Graphenated-Polyaniline Nanosensor for Environmental Anthracene

Authors: O. Tovide, N. Jahed, N. Mohammed, C. E. Sunday, H. R. Makelane, R. F. Ajayi, K. M. Molapo, A. Tsegaye, M. Masikini, S. Mailu, A. Baleg, T. Waryo, P. G. Baker, E. I. Iwuoha

Abstract:

A graphenated–polyaniline (GR-PANI) nanocomposite sensor was constructed and used for the determination of anthracene. The direct electro-oxidation behavior of anthracene on the GR-PANI modified glassy carbon electrode (GCE) was used as the sensing principle. The results indicate thatthe response profile of the oxidation of anthracene on GR-PANI-modified GCE provides for the construction of sensor systems based onamperometric and potentiometric signal transductions. A dynamic linear range of 0.12- 100 µM anthracene and a detection limit of 0.044 µM anthracene were established for the sensor system.

Keywords: Electrochemical sensors, environmental pollutants, graphenated-polymers, polyaromatic hydrocarbon.

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666 Development of a Spark Electrode Ignition System for an Explosion Vessel

Authors: Shaharin A. Sulaiman, Mizuan Minhat

Abstract:

This paper presents development of an ignition system using spark electrodes for application in a research explosion vessel. A single spark is aimed to be discharged with quantifiable ignition energy. The spark electrode system would enable study of flame propagation, ignitability of fuel-air mixtures and other fundamental characteristics of flames. The principle of the capacitive spark circuit of ASTM is studied to charge an appropriate capacitance connected across the spark gap through a large resistor by a high voltage from the source of power supply until the initiation of spark. Different spark energies could be obtained mainly by varying the value of the capacitance and the supply current. The spark sizes produced are found to be affected by the spark gap, electrode size, input voltage and capacitance value.

Keywords: Ignition, Spark Electrode, Flame

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665 Multilevel Arnoldi-Tikhonov Regularization Methods for Large-Scale Linear Ill-Posed Systems

Authors: Yiqin Lin, Liang Bao

Abstract:

This paper is devoted to the numerical solution of large-scale linear ill-posed systems. A multilevel regularization method is proposed. This method is based on a synthesis of the Arnoldi-Tikhonov regularization technique and the multilevel technique. We show that if the Arnoldi-Tikhonov method is a regularization method, then the multilevel method is also a regularization one. Numerical experiments presented in this paper illustrate the effectiveness of the proposed method.

Keywords: Discrete ill-posed problem, Tikhonov regularization, discrepancy principle, Arnoldi process, multilevel method.

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664 Sensitive Analysis of the ZF Model for ABC Multi Criteria Inventory Classification

Authors: Makram Ben Jeddou

Abstract:

ABC classification is widely used by managers for inventory control. The classical ABC classification is based on Pareto principle and according to the criterion of the annual use value only. Single criterion classification is often insufficient for a closely inventory control. Multi-criteria inventory classification models have been proposed by researchers in order to consider other important criteria. From these models, we will consider a specific model in order to make a sensitive analysis on the composite score calculated for each item. In fact, this score, based on a normalized average between a good and a bad optimized index, can affect the ABC-item classification. We will focus on items differently assigned to classes and then propose a classification compromise.

Keywords: ABC classification, Multi criteria inventory classification models, ZF-model.

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663 A Case Study on Performance of Isolated Bridges under Near-Fault Ground Motion

Authors: Daniele Losanno, H. A. Hadad, Giorgio Serino

Abstract:

This paper presents a numerical investigation on the seismic performance of a benchmark bridge with different optimal isolation systems under near fault ground motion. Usually, very large displacements make seismic isolation an unfeasible solution due to boundary conditions, especially in case of existing bridges or high risk seismic regions. Hence, near-fault ground motions are most likely to affect either structures with long natural period range like isolated structures or structures sensitive to velocity content such as viscously damped structures. The work is aimed at analyzing the seismic performance of a three-span continuous bridge designed with different isolation systems having different levels of damping. The case study was analyzed in different configurations including: (a) simply supported, (b) isolated with lead rubber bearings (LRBs), (c) isolated with rubber isolators and 10% classical damping (HDLRBs), and (d) isolated with rubber isolators and 70% supplemental damping ratio. Case (d) represents an alternative control strategy that combines the effect of seismic isolation with additional supplemental damping trying to take advantages from both solutions. The bridge is modeled in SAP2000 and solved by time history direct-integration analyses under a set of six recorded near-fault ground motions. In addition to this, a set of analysis under Italian code provided seismic action is also conducted, in order to evaluate the effectiveness of the suggested optimal control strategies under far field seismic action. Results of the analysis demonstrated that an isolated bridge equipped with HDLRBs and a total equivalent damping ratio of 70% represents a very effective design solution for both mitigation of displacement demand at the isolation level and base shear reduction in the piers also in case of near fault ground motion.

Keywords: Isolated bridges, optimal design, near-fault motion, supplemental damping.

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662 Methodology of Restoration Research in Czech Republic

Authors: M. Rehor, V. Ondracek

Abstract:

Restoration research has become important on principle recently in Czech Republic. The reason is simple. More than 70 % of mined brown coal comes from the North Bohemian Basin these days. Open cast brown coal mining has lead to large damage on the landscape. Reclamation of phytotoxic areas is one of the serious problems in the North Bohemian Basin. It mainly concerns the areas with the occurrence of overburden rocks from the coal bed enriched with coal. The presented paper includes the characteristics of the important phytotoxic areas and the methodology of their reclamation. The results are documented with the long term monitoring of physical, mineralogical, chemical and pedological parameters of rocks in the testing areas.

Keywords: Brown coal, dump, methodology, restoration.

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661 Generalized Maximum Entropy Method for Cosmic Source Localization

Authors: Youssef Khmou, Said Safi, Miloud Frikel

Abstract:

The Maximum entropy principle in spectral analysis was used as an estimator of Direction of Arrival (DoA) of electromagnetic or acoustic sources impinging on an array of sensors, indeed the maximum entropy operator is very efficient when the signals of the radiating sources are ergodic and complex zero mean random processes which is the case for cosmic sources. In this paper, we present basic review of the maximum entropy method (MEM) which consists of rank one operator but not a projector, and we elaborate a new operator which is full rank and sum of all possible projectors. Two dimensional Simulation results based on Monte Carlo trials prove the resolution power of the new operator where the MEM presents some erroneous fluctuations.

Keywords: Maximum entropy, Cosmic source, Localization, operator, projector, azimuth, elevation, DoA, circular array.

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660 Factors of Competitiveness in the Wine Industry: an Analysis of Innovation Strategy

Authors: Mª del Valle Fernández Moreno; Isidro Peña García-Pardo; Jesús David Sánchez de Pablo González del Campo

Abstract:

The search for competitive advantages as one of the main activities of a company has become a principle of contemporary theories on Strategic Management. Innovation facilitates a company's adaptation to the global competitive environment, representing the important strategic role that it has to play in relation to managerial performance and, as such, underlines the growing importance of innovation and the use of a company's technological assets. This paper therefore studies the effect in the results of four dimensions of technological innovation strategy on a sample of Spanish wineries, situated in the Castilla La-Mancha region of Spain, all of which are registered under the La Mancha Designation of Origin (DO).

Keywords: Company's strategy, factors of competitiveness, innovation strategy, wine industry

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659 The Principle Probabilities of Space-Distance Resolution for a Monostatic Radar and Realization in Cylindrical Array

Authors: Anatoly D. Pluzhnikov, Elena N. Pribludova, Alexander G. Ryndyk

Abstract:

In conjunction with the problem of the target selection on a clutter background, the analysis of the scanning rate influence on the spatial-temporal signal structure, the generalized multivariate correlation function and the quality of the resolution with the increase pulse repetition frequency is made. The possibility of the object space-distance resolution, which is conditioned by the range-to-angle conversion with an increased scanning rate, is substantiated. The calculations for the real cylindrical array at high scanning rate are presented. The high scanning rate let to get the signal to noise improvement of the order of 10 dB for the space-time signal processing.

Keywords: Antenna pattern, array, signal processing, spatial resolution.

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658 Three-Dimensional Generalized Thermoelasticity with Variable Thermal Conductivity

Authors: Hamdy M. Youssef, Mowffaq Oreijah, Hunaydi S. Alsharif

Abstract:

In this paper, a three-dimensional model of the generalized thermoelasticity with one relaxation time and variable thermal conductivity has been constructed. The resulting non-dimensional governing equations together with the Laplace and double Fourier transforms techniques have been applied to a three-dimensional half-space subjected to thermal loading with rectangular pulse and traction free in the directions of the principle co-ordinates. The inverses of double Fourier transforms, and Laplace transforms have been obtained numerically. Numerical results for the temperature increment, the invariant stress, the invariant strain, and the displacement are represented graphically. The variability of the thermal conductivity has significant effects on the thermal and the mechanical waves.

Keywords: Thermoelasticity, three-dimensional, Laplace transforms, Fourier transforms, thermal conductivity.

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657 Researches Concerning Photons as Corpuscles with Mass and Negative Electrostatic Charge

Authors: Ioan Rusu

Abstract:

Let us consider that the entire universe is composed of a single hydrogen atom within which the electron is moving around the proton. In this case, according to classical theories of physics, radiation, photons respectively, should be absorbed by the electron. Depending on the number of photons absorbed, the electron radius of rotation around the proton is established. Until now, the principle of photons absorption by electrons and the electron transition to a new energy level, namely to a higher radius of rotation around the proton, is not clarified in physics. This paper aims to demonstrate that radiation, photons respectively, have mass and negative electrostatic charge similar to electrons but infinitely smaller. The experiments which demonstrate this theory are simple: thermal expansion, photoelectric effect and thermonuclear reaction.

Keywords: Electrostatic, electron, proton, photon, radiation.

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656 Testing of Electronic Control Unit Communication Interface

Authors: Petr Šimek, Kamil Kostruk

Abstract:

This paper deals with the problem of testing the Electronic Control Unit (ECU) for the specified function validation. Modern ECUs have many functions which need to be tested. This process requires tracking between the test and the specification. The technique discussed in this paper explores the system for automating this process. The paper focuses on the introduction to the problem in general, then it describes the proposed test system concept and its principle. It looks at how the process of the ECU interface specification file for automated interface testing and test tracking works. In the end, the future possible development of the project is discussed.

Keywords: Electronic control unit testing, embedded system, test generate, test automation, process automation, CAN bus, Ethernet.

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655 Frequency and Amplitude Measurement of a Vibrating Object in Water Using Ultrasonic Speckle Technique

Authors: Hongmao Zhu, Jun Chu, Lei Shen, Zhihua Luo

Abstract:

The principle of frequency and amplitude measurement of a vibrating object in water using ultrasonic speckle technique is presented in this paper. Compared with other traditional techniques, the ultrasonic speckle technique can be applied to vibration measurement of a nonmetal object with rough surface in water in a noncontact way. The relationship between speckle movement and object movement was analyzed. Based on this study, an ultrasonic speckle measurement system was set up. With this system the frequency and amplitude of an underwater vibrating cantilever beam was detected. The result shows that the experimental data is in good agreement with the calibrating data.

Keywords: Frequency, Amplitude, Vibration measurement, Ultrasonic speckle

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654 A Numerical Method for Diffusion and Cahn-Hilliard Equations on Evolving Spherical Surfaces

Authors: Jyh-Yang Wu, Sheng-Gwo Chen

Abstract:

In this paper, we present a simple effective numerical geometric method to estimate the divergence of a vector field over a curved surface. The conservation law is an important principle in physics and mathematics. However, many well-known numerical methods for solving diffusion equations do not obey conservation laws. Our presented method in this paper combines the divergence theorem with a generalized finite difference method and obeys the conservation law on discrete closed surfaces. We use the similar method to solve the Cahn-Hilliard equations on evolving spherical surfaces and observe stability results in our numerical simulations.

Keywords: Conservation laws, diffusion equations, Cahn-Hilliard Equations, evolving surfaces.

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653 Hand Written Digit Recognition by Multiple Classifier Fusion based on Decision Templates Approach

Authors: Reza Ebrahimpour, Samaneh Hamedi

Abstract:

Classifier fusion may generate more accurate classification than each of the basic classifiers. Fusion is often based on fixed combination rules like the product, average etc. This paper presents decision templates as classifier fusion method for the recognition of the handwritten English and Farsi numerals (1-9). The process involves extracting a feature vector on well-known image databases. The extracted feature vector is fed to multiple classifier fusion. A set of experiments were conducted to compare decision templates (DTs) with some combination rules. Results from decision templates conclude 97.99% and 97.28% for Farsi and English handwritten digits.

Keywords: Decision templates, multi-layer perceptron, characteristics Loci, principle component analysis (PCA).

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652 Mathematical Modeling of Switching Processes in Magnetically Controlled MEMS Switches

Authors: Sergey M. Karabanov, Dmitry V. Suvorov, Dmitry Yu. Tarabrin

Abstract:

The operating principle of magnetically controlled microelectromechanical system (MEMS) switches is based on controlling the beam movement under the influence of a magnetic field. Currently, there is a MEMS switch design with a flexible ferromagnetic electrode in the form of a fixed-terminal beam, with an electrode fastened on a straight or cranked anchor. The basic performance characteristics of magnetically controlled MEMS switches (service life, sensitivity, contact resistance, fast response) are largely determined by the flexible electrode design. To ensure the stable and controlled motion of the flexible electrode, it is necessary to provide the optimal design of a flexible electrode.

Keywords: MEMS switch, magnetic sensitivity, magnetic concentrator.

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651 Towards Sustainable Urban Planning In Times of Climate Change

Authors: Rosalba D'onofrio

Abstract:

It is not easy to imagine how the existing city can be converted to the principles of sustainability, however, the need for innovation, requires a pioneering phase which must address the main problems of rehabilitation of the operating models of the city. Today, however, there is a growing awareness that the identification and implementation of policies and measures to promote the adaptation, resilience and reversibility of the city, require the contribution of our discipline. This breakthrough is present in some recent international experiences of Climate Plans, in which the envisaged measures are closely interwoven with those of urban planning. These experiences, provide some answers principle questions, such as: how the strategies to combat climate can be integrated in the instruments of the local government; what new and specific analysis must be introduced in urban planning in order to understand the issues of urban sustainability, and how the project compares with different spatial scales.

Keywords: Climate change, urban sustainability, urban planning

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650 Decision Support System Based on Data Warehouse

Authors: Yang Bao, LuJing Zhang

Abstract:

Typical Intelligent Decision Support System is 4-based, its design composes of Data Warehouse, Online Analytical Processing, Data Mining and Decision Supporting based on models, which is called Decision Support System Based on Data Warehouse (DSSBDW). This way takes ETL,OLAP and DM as its implementing means, and integrates traditional model-driving DSS and data-driving DSS into a whole. For this kind of problem, this paper analyzes the DSSBDW architecture and DW model, and discusses the following key issues: ETL designing and Realization; metadata managing technology using XML; SQL implementing, optimizing performance, data mapping in OLAP; lastly, it illustrates the designing principle and method of DW in DSSBDW.

Keywords: Decision Support System, Data Warehouse, Data Mining.

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649 Design of AC Electronics Load Surge Protection

Authors: N. Mungkung, S. Wongcharoen, C. Sukkongwari, Somchai Arunrungrasmi

Abstract:

This study examines the design and construction of AC Electronics load surge protection in order to carry electric surge load arisen from faults in low voltage electricity system (single phase/220V) by using the principle of electronics load clamping voltage during induction period so that electric voltage could go through to safe load and continue to work. The qualification of the designed device could prevent both transient over voltage and voltage swell. Both will work in cooperation, resulting in the ability to improve and modify the quality of electrical power in Thailand electricity distribution system more effective than the past and help increase the lifetime of electric appliances, electric devices, and electricity protection equipments.

Keywords: Electronics Load, Transient Over Voltage, Voltage Swell.

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648 Building Design to Save Lives when Earthquake May Strike the City

Authors: Tejinder Singh

Abstract:

When earthquakes strike the city it results in great loss of lives. The present paper talks about a new innovative design system (MegEifel) for buildings which has a mechanism to mitigate deaths in case any earthquake strikes the city. If buildings will be designed according to MegEifel design then the occupants of the building will be safe even when they are in sleep or are doing day wise activities during the time earthquake strikes. The core structure is suggested to be designed on the principle that more deep the foundations are, the harder it is to uproot the structure. The buildings will have an Eifel rod dug deep into earth which will help save lives in tall buildings when earthquake strikes. This design takes a leverage of protective shells to save lives.

Keywords: Structure, MegEifel, Save, Life, Earthquake, Design

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647 Interactive Agents with Artificial Mind

Authors: Hirohide Ushida

Abstract:

This paper discusses an artificial mind model and its applications. The mind model is based on some theories which assert that emotion is an important function in human decision making. An artificial mind model with emotion is built, and the model is applied to action selection of autonomous agents. In three examples, the agents interact with humans and their environments. The examples show the proposed model effectively work in both virtual agents and real robots.

Keywords: Artificial mind, emotion, interactive agent, pet robot

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646 Agents Network on a Grid: An Approach with the Set of Circulant Operators

Authors: Babiga Birregah, Prosper K. Doh, Kondo H. Adjallah

Abstract:

In this work we present some matrix operators named circulant operators and their action on square matrices. This study on square matrices provides new insights into the structure of the space of square matrices. Moreover it can be useful in various fields as in agents networking on Grid or large-scale distributed self-organizing grid systems.

Keywords: Pascal matrices, Binomial Recursion, Circulant Operators, Square Matrix Bipartition, Local Network, Parallel networks of agents.

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645 Capture Zone of a Well Field in an Aquifer Bounded by Two Parallel Streams

Authors: S. Nagheli, N. Samani, D. A. Barry

Abstract:

In this paper, the velocity potential and stream function of capture zone for a well field in an aquifer bounded by two parallel streams with or without a uniform regional flow of any directions are presented. The well field includes any number of extraction or injection wells or a combination of both types with any pumping rates. To delineate the capture envelope, the potential and streamlines equations are derived by conformal mapping method. This method can help us to release constrains of other methods. The equations can be applied as useful tools to design in-situ groundwater remediation systems, to evaluate the surface–subsurface water interaction and to manage the water resources.

Keywords: Complex potential, conformal mapping, groundwater remediation, image well theory, Laplace’s equation, superposition principle.

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644 A ZVT-ZCT-PWM DC-DC Boost Converter with Direct Power Transfer

Authors: Naim Suleyman Ting, Yakup Sahin, Ismail Aksoy

Abstract:

This paper presents a zero voltage transition-zero current transition (ZVT-ZCT)-PWM DC-DC boost converter with direct power transfer. In this converter, the main switch turns on with ZVT and turns off with ZCT. The auxiliary switch turns on and off with zero current switching (ZCS). The main diode turns on with ZVS and turns off with ZCS. Besides, the additional current or voltage stress does not occur on the main device. The converter has features as simple structure, fast dynamic response and easy control. Also, the proposed converter has direct power transfer feature as well as excellent soft switching techniques. In this study, the operating principle of the converter is presented and its operation is verified for 1 kW and 100 kHz model.

Keywords: Direct power transfer, boost converter, zero-voltage transition, zero-current transition.

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643 ZVZCT PWM Boost DC-DC Converter

Authors: İsmail Aksoy, Hacı Bodur, Nihan Altıntas

Abstract:

This paper introduces a boost converter with a new active snubber cell. In this circuit, all of the semiconductor components in the converter softly turns on and turns off with the help of the active snubber cell. Compared to the other converters, the proposed converter has advantages of size, number of components and cost. The main feature of proposed converter is that the extra voltage stresses do not occur on the main switches and main diodes. Also, the current stress on the main switch is acceptable level. Moreover, the proposed converter can operates under light load conditions and wide input line voltage. In this study, the operating principle of the proposed converter is presented and its operation is verified with the Proteus simulation software for a 1 kW and 100 kHz model.

Keywords: Active snubber cell, boost converter, zero current switching, zero voltage switching.

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642 Evolving Neural Networks using Moment Method for Handwritten Digit Recognition

Authors: H. El Fadili, K. Zenkouar, H. Qjidaa

Abstract:

This paper proposes a neural network weights and topology optimization using genetic evolution and the backpropagation training algorithm. The proposed crossover and mutation operators aims to adapt the networks architectures and weights during the evolution process. Through a specific inheritance procedure, the weights are transmitted from the parents to their offsprings, which allows re-exploitation of the already trained networks and hence the acceleration of the global convergence of the algorithm. In the preprocessing phase, a new feature extraction method is proposed based on Legendre moments with the Maximum entropy principle MEP as a selection criterion. This allows a global search space reduction in the design of the networks. The proposed method has been applied and tested on the well known MNIST database of handwritten digits.

Keywords: Genetic algorithm, Legendre Moments, MEP, Neural Network.

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641 Pressure Study on Mn Doped KDP System under Hydrostatic Pressure

Authors: W. Paraguassu, S. Guerini, C. M. R. Remédios, P. T. C. Freire

Abstract:

High Pressure Raman scattering measurements of KDP:Mn were performed at room temperatures. The X-ray powder diffraction patterns taken at room temperature by Rietveld refinement showed that doped samples of KDP-Mn have the same tetragonal structure of a pure KDP crystal, but with a contraction of the crystalline cell. The behavior of the Raman spectra, in particular the emergence of a new modes at 330 cm-1, indicates that KDP:Mn undergoes a structural phase transition with onset at around 4 GP. First principle density-functional theory (DFT) calculations indicate that tetrahedral rotation with pressure is predominantly around the c crystalline direction. Theoretical results indicates that pressure induced tetrahedral rotations leads to change tetrahedral neighborhood, activating librations/bending modes observed for high pressure phase of KDP:Mn with stronger Raman activity.

Keywords: Dipotassium molybdate, High pressure, Raman scattering, Phase transition, ab initio

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