Search results for: Proximate analysis

Authors: S. Turkan

Abstract:

In this paper, the Turkey’s Top 500 Industrial Enterprises data in 2014 were analyzed by data envelopment analysis. Data envelopment analysis is used to detect efficient decision-making units such as universities, hospitals, schools etc. by using inputs and outputs. The decision-making units in this study are enterprises. To detect efficient enterprises, some financial ratios are determined as inputs and outputs. For this reason, financial indicators related to productivity of enterprises are considered. The efficient foreign weighted owned capital enterprises are detected via super efficiency model. According to the results, it is said that Mercedes-Benz is the most efficient foreign weighted owned capital enterprise in Turkey.

Keywords: Data envelopment analysis, super efficiency, financial ratios, BCC model.

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Authors: Blaise Fyama, Elie Museng, Grace Mukoma

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In this article we present a java implementation of video telephony using the SIP protocol (Session Initiation Protocol). After a functional analysis of the SIP protocol, we relied on the work of Italian researchers of University of Parma-Italy to acquire adequate libraries for the development of our own communication tool. In order to optimize the code and improve the prototype, we used, in an incremental approach, test techniques based on a static analysis based on the evaluation of the complexity of the software with the application of metrics and the number cyclomatic of Mccabe. The objective is to promote the emergence of local start-ups producing IP video in a well understood local context. We have arrived at the creation of a video telephony tool whose code is optimized.

Keywords: Static analysis, coding, complexity, mccabe metrics, Sip, uml.

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Authors: Mohd Iqbal Ridwan, Kerk Lee Yen, Aminuddin Musa, Bahisham Yunus

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Protective relays are components of a protection system in a power system domain that provides decision making element for correct protection and fault clearing operations. Failure of the protection devices may reduce the integrity and reliability of the power system protection that will impact the overall performance of the power system. Hence it is imperative for power utilities to assess the reliability of protective relays to assure it will perform its intended function without failure. This paper will discuss the application of reliability analysis using statistical method called Life Data Analysis in Tenaga Nasional Berhad (TNB), a government linked power utility company in Malaysia, namely Transmission Division, to assess and evaluate the reliability of numerical overcurrent protective relays from two different manufacturers.

Keywords: Life data analysis, Protective relays, Reliability, Weibull Distribution.

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Authors: H. Maalem, F. Marir

Abstract:

This paper presents the cepstral and trispectral analysis of a speech signal produced by normal men, men with defective audition (deaf, deep deaf) and others affected by tracheotomy, the trispectral analysis based on parametric methods (Autoregressive AR) using the fourth order cumulant. These analyses are used to detect and compare the pitches and the formants of corresponding voiced sounds (vowel \a\, \i\ and \u\). The first results appear promising, since- it seems after several experimentsthere is no deformation of the spectrum as one could have supposed it at the beginning, however these pathologies influenced the two characteristics: The defective audition influences to the formants contrary to the tracheotomy, which influences the fundamental frequency (pitch).

Keywords: Cepstrum, cumulant, defective audition, tracheotomisy, trispectrum.

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Authors: M. Chavleishvili

Abstract:

The paper presents the analysis of the current situation of agricultural development in Georgia. The investment environment that supports development of the agricultural sector is evaluated and the key priorities are identified. The analysis of the projects already implemented with state and EU support, as well as those that are being currently implemented is presented. The policy and the programs supporting development of agricultural sector are analyzed. Based on an analysis of the evaluations of experts and the primary accounting documents, the outcomes of investment programs, their advantages and disadvantages, are studied. Through identifying investment programs in the agricultural sector of Georgia, corresponding conclusions are made, based on which some recommendations are developed.

Keywords: Agriculture, investments, investment programs, projects.

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Authors: Abbas Al-Refaie, Nour Bata

Abstract:

A distributor of Apple products' experiences numerous difficulties in developing marketing strategies for new and existing mobile product entries that maximize customer satisfaction and the firm's profitability. This research, therefore, integrates market segmentation in platform-based product family design and conjoint analysis to identify iSystem combinations that increase customer satisfaction and business profits. First, the enhanced market segmentation grid is created. Then, the estimated demand model is formulated. Finally, the profit models are constructed then used to determine the ideal product family design that maximizes profit. Conjoint analysis is used to explore customer preferences with their satisfaction levels. A total of 200 surveys are collected about customer preferences. Then, simulation is used to determine the importance values for each attribute. Finally, sensitivity analysis is conducted to determine the product family design that maximizes both objectives. In conclusion, the results of this research shall provide great support to Apple distributors in determining the best marketing strategies that enhance their market share.

Keywords: Market segmentation, conjoint analysis, market strategies, optimization.

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Authors: Farhad Asadi, Gholamhasan Payganeh

Abstract:

High-speed turbomachine can experience significant centrifugal and gas bending loads. As a result, the compressor blades must be able to resist high-frequency oscillations due to surge or stall condition in flow field dynamics. In this paper, vibration characteristics of the 6th stage blade compressor have been examined in detail with, using 3-D finite element (FE) methods. The primary aim of this article is to gain an understanding of nonlinear vibration induced in the blade against different loading conditions. The results indicate the nonlinear behavior of the blade as a result of the amplitude of resonances or material properties. Since one of the leading causes of turbine blade failure is high cycle fatigue, simulations were started by specifying the stress distribution in the blade due to the centrifugal rotation. Next, resonant frequencies and critical speeds of the blade were defined by modal analysis. Finally, the harmonic analysis was simulated on the blades.

Keywords: Nonlinear vibration, modal analysis, resonance, frequency response, compressor blade.

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Authors: Takahiro Nishigaki, Katsumi Nitta, Takashi Onoda

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In this paper, we present a method of applying Independent Topic Analysis (ITA) to increasing the number of document data. The number of document data has been increasing since the spread of the Internet. ITA was presented as one method to analyze the document data. ITA is a method for extracting the independent topics from the document data by using the Independent Component Analysis (ICA). ICA is a technique in the signal processing; however, it is difficult to apply the ITA to increasing number of document data. Because ITA must use the all document data so temporal and spatial cost is very high. Therefore, we present Incremental ITA which extracts the independent topics from increasing number of document data. Incremental ITA is a method of updating the independent topics when the document data is added after extracted the independent topics from a just previous the data. In addition, Incremental ITA updates the independent topics when the document data is added. And we show the result applied Incremental ITA to benchmark datasets.

Keywords: Text mining, topic extraction, independent, incremental, independent component analysis.

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Authors: Ahmad Atieh, Masoud Kalantari, Roozbeh Ahmadi, Javad Dargahi, Muthukumaran Packirisamy, Mehrdad Hosseini Zadeh

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The present paper presents a finite element model and analysis for the interaction between a piezoresistive tactile sensor and biological tissues. The tactile sensor is proposed for use in minimally invasive surgery to deliver tactile information of biological tissues to surgeons. The proposed sensor measures the relative hardness of soft contact objects as well as the contact force. Silicone rubbers were used as the phantom of biological tissues. Finite element analysis of the silicone rubbers and the mechanical structure of the sensor were performed using COMSOL Multiphysics (v3.4) environment. The simulation results verify the capability of the sensor to be used to differentiate between different kinds of silicone rubber materials.

Keywords: finite element analysis, minimally invasive surgery, Neo-Hookean hyperelastic materials, tactile sensor.

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Authors: B. Arend, P. Sunnen, P. Caire

Abstract:

In a single case study, we show how a conversation analysis (CA) approach can shed light onto the sequential unfolding of human-robot interaction. Relying on video data, we are able to show that CA allows us to investigate the respective turn-taking systems of humans and a NAO robot in their dialogical dynamics, thus pointing out relevant differences. Our fine grained video analysis points out occurring breakdowns and their overcoming, when humans and a NAO-robot engage in a multimodally uttered multi-party communication during a sports guessing game. Our findings suggest that interdisciplinary work opens up the opportunity to gain new insights into the challenging issues of human robot communication in order to provide resources for developing mechanisms that enable complex human-robot interaction (HRI).

Keywords: Human-robot interaction, conversation analysis, dialogism, museum, breakdown.

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Authors: A. Papalou, K. Vozikis

Abstract:

The aim of this paper is the analysis and preservation of lime kilns, focusing on the structure, construction, and functionality of vertical shaft lime kilns of the Cap Corse in Corsica. Plans and sections of two lime kilns are presented in detail, providing an overall picture of this specific industrial heritage. The potential damage areas are identified performing structural analysis of a lime kiln using the finite element method. A restoration and strengthening technique that satisfies the directions of the Charter of Venice is presented using post-tensioning tendons. Recommendations are given to preserve and promote these important historical structures integrating them into the custom footpath.

Keywords: industrial heritage, lime kilns, post-tensioning, preservation

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Authors: M. Mahdi, N. Shariatmadari

Abstract:

An important aspect of planning for shallow tunneling under urban areas is the determination of likely surface movements and interaction with existing structures. Back analysis of built tunnels that their settlements magnitude is available, could aid the designers to have a more accuracy in future projects.

In this paper, one single Tehran Metro Tunnel (at west of Hor square, Jang University Street) was selected. At first, surface settlements of this tunnel were measured in situ. Then this tunnel was modeled using the commercial finite deference software FLAC-3D. Finally, Results of modeling and in situ measurements compared for verification.

Keywords: Shallow Tunnel, Back Analysis, Surface Movement, Numerical Modeling.

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Authors: Artem Nuriev, Olga Zaitseva

Abstract:

This paper is devoted to the study of a viscous incompressible flow around a circular cylinder performing harmonic oscillations, especially the steady streaming phenomenon. The research methodology is based on the asymptotic explanation method combined with the computational bifurcation analysis. The research approach develops Schlichting and Wang decomposition method. Present studies allow to identify several regimes of the secondary streaming with different flow structures. The results of the research are in good agreement with experimental and numerical simulation data.

Keywords: Oscillating cylinder, Secondary Streaming, Flow Regimes, Asymptotic and Bifurcation Analysis.

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Authors: Liping Li, Changchun Liu, Ke Li, Chengyu Liu

Abstract:

Non-stationary trend in R-R interval series is considered as a main factor that could highly influence the evaluation of spectral analysis. It is suggested to remove trends in order to obtain reliable results. In this study, three detrending methods, the smoothness prior approach, the wavelet and the empirical mode decomposition, were compared on artificial R-R interval series with four types of simulated trends. The Lomb-Scargle periodogram was used for spectral analysis of R-R interval series. Results indicated that the wavelet method showed a better overall performance than the other two methods, and more time-saving, too. Therefore it was selected for spectral analysis of real R-R interval series of thirty-seven healthy subjects. Significant decreases (19.94±5.87% in the low frequency band and 18.97±5.78% in the ratio (p<0.001)) were found. Thus the wavelet method is recommended as an optimal choice for use.

Keywords: empirical mode decomposition, heart rate variability, signal detrending, smoothness priors, wavelet

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Authors: R. Mahjoub, K. Maghsoudi Mehraban

Abstract:

Since the heart of the hybrid system is the fuel cell and it has vital impact on efficiency and performance of cycle, in this study, the major modeling of electrochemical reaction within the fuel cell is analyzed. Also, solid oxide fuel cell is integrated with the gas turbine and thermodynamic analysis on different elements of hybrid system is applied. Next, in predefined operational points of hybrid cycle, the simulation results are obtained. Then, different source of irreversibility in fuel cell is modeled and influence of different major parameters on different irreversibility is computed and applied. Then, the effect of important parameters such as thickness and surface of electrolyte fuel cell are simulated in fuel cell and its dependency to these parameters is explained. At the end of the paper, different impact of parameters on fuel cell with a gas turbine and current density and voltage of fuel cell are simulated.

Keywords: Electrochemical analysis, Gas turbine, Hybrid system, Irreversibility analysis.

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Authors: Nadim Zgheib, Sivaramakrishnan Balachandar

Abstract:

We present results on the initial formation of ripples from an initially flattened erodible bed. We use direct numerical simulations (DNS) of turbulent open channel flow over a fixed sinusoidal bed coupled with hydrodynamic stability analysis. We use the direct forcing immersed boundary method to account for the presence of the sediment bed. The resolved flow provides the bed shear stress and consequently the sediment transport rate, which is needed in the stability analysis of the Exner equation. The approach is different from traditional linear stability analysis in the sense that the phase lag between the bed topology, and the sediment flux is obtained from the DNS. We ran 11 simulations at a fixed shear Reynolds number of 180, but for different sediment bed wavelengths. The analysis allows us to sweep a large range of physical and modelling parameters to predict their effects on linear growth. The Froude number appears to be the critical controlling parameter in the early linear development of ripples, in contrast with the dominant role of particle Reynolds number during the equilibrium stage.

Keywords: Direct numerical simulation, immersed boundary method, sediment-bed interactions, turbulent multiphase flow, linear stability analysis.

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Authors: Javid Iqbal, Zhu Shifan

Abstract:

The development in the construction of unconventional ships and the implementation of lightweight materials have shown a large impulse towards finite element (FE) method, making it a general tool for ship design. This paper briefly presents the modeling and analysis techniques of ship structures using FE method for complex boundary conditions which are difficult to analyze by existing Ship Classification Societies rules. During operation, all ships experience complex loading conditions. These loads are general categories into thermal loads, linear static, dynamic and non-linear loads. General strength of the ship structure is analyzed using static FE analysis. FE method is also suitable to consider the local loads generated by ballast tanks and cargo in addition to hydrostatic and hydrodynamic loads. Vibration analysis of a ship structure and its components can be performed using FE method which helps in obtaining the dynamic stability of the ship. FE method has developed better techniques for calculation of natural frequencies and different mode shapes of ship structure to avoid resonance both globally and locally. There is a lot of development towards the ideal design in ship industry over the past few years for solving complex engineering problems by employing the data stored in the FE model. This paper provides an overview of ship modeling methodology for FE analysis and its general application. Historical background, the basic concept of FE, advantages, and disadvantages of FE analysis are also reported along with examples related to hull strength and structural components.

Keywords: Dynamic analysis, finite element methods, ship structure, vibration analysis.

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Authors: Faisal AlShammari, Abdulmajid Addali

Abstract:

Monitoring the conditions of rotating machinery, such as bearings, is important in order to improve the stability of work. Acoustic Emission (AE) and vibration analysis are some of the most accomplished techniques used for this purpose. Acoustic emission has the ability to detect the initial phase of component degradation. Moreover, it has been observed that vibration analysis is not as successful at low rotational speeds (below 100 rpm). This because the energy generated within this speed region is not detectable using conventional vibration. From this perspective, this paper has presented a brief review of using acoustic emission techniques for monitoring bearing conditions.

Keywords: Condition monitoring, stress wave analysis, low-speed bearings, bearing defect diagnosis.

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Authors: Toshiaki Yanada, Kazumi Ishikawa

Abstract:

The present paper deals with the analysis and development of noise-reduction transformer that has a filter function for conductive noise transmission. Two types of prototype noise-reduction transformers with two different output voltages are proposed. To determine an optimum design for the noise-reduction transformer, noise attenuation characteristics are discussed based on the experiments and the equivalent circuit analysis. The analysis gives a relation between the circuit parameters and the noise attenuation. High performance step-down noise-reduction transformer for direct power supply to electronics equipment is developed. The input voltage of the transformer is 100 V and the output voltage is 5 V. Frequency characteristics of noise attenuation are discussed, and prevention of pulse noise transmission is demonstrated. Normal mode noise attenuation of this transformer is –80 dB, and common mode exceeds –90 dB. The step-down noise-reduction transformer eliminates pulse noise efficiently.

Keywords: conductive noise, EMC, EMI, noise attenuation, transformer.

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Authors: M. A. Ghorbani, M. Pasbani Khiavi, F. Rezaie Moghaddam

Abstract:

In the analysis of structures, the nonlinear effects due to large displacement, large rotation and materially-nonlinear are very important and must be considered for the reliable analysis. The non-linear fmite element analysis has potential as usable and reliable means for analyzing of civil structures with the availability of computer technology. In this research the large displacements and materially nonlinear behavior of shear wall is presented with developing of fmite element code using the standard Galerkin weighted residual formulation. Two-dimensional plane stress model was carried out to present the shear wall response. Total Lagangian formulation, which is computationally more effective, is used in the formulation of stiffness matrices and the Newton-Raphson method is applied for the solution of nonlinear transient equations. The details of the program formulation are highlighted and the results of the analyses are presented, along with a comparison of the response of the structure with Ansys software results. The presented model in this paper can be developed for nonlinear analysis of civil engineering structures with different material behavior and complicated geometry.

Keywords: Finite element, large displacements, materially nonlinear, shear wall.

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Authors: Jana Teplá

Abstract:

This text focuses on the visual construction of youth in press photographs in socialist Czechoslovakia. It deals with photographs in a magazine for young readers, Mladý svět, published by the Socialist Union of Youth of Czechoslovakia. The aim of this study was to develop a methodological tool for uncovering the values and the ideological messages in the strategies used in the visual construction of reality in the socialist press. Two methods of visual analysis were applied to the photographs, a quantitative content analysis and a social semiotic analysis. The social semiotic analysis focused on images representing youth in their free time. The study shows that the meaning of a socialist press photograph is a result of a struggle for ideological power between formal and informal ideologies. This struggle takes place within the process of production of the photograph and also within the process of interpretation of the photograph.

Keywords: Ideology, press photography, socialist regime, social semiotics, youth.

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Authors: Hiroshi Hirano, Joji Kadota, Toshiyuki Yamashita, Yasuyuki Agari

Abstract:

It is well known that enhancing interfacial adhesion between inorganic filler and matrix resin in a composite lead to favorable properties such as excellent mechanical properties, high thermal resistance, prominent electric insulation, low expansion coefficient, and so on. But it should be avoided that much excess of coupling agent is reacted due to a negative impact of their final composite-s properties. There is no report to achieve classification of the bonding state excepting investigation of coating layer thickness. Therefore, the analysis of the bonding state of the coupling agent reacted with the filler surface such as BN particles with less functional group and silica particles having much functional group was performed by thermal gravimetric analysis and pyrolysis GC/MS. The reacted number of functional groups on the silane-coupling agent was classified as a result of the analysis. Thus, we succeeded in classifying the reacted number of the functional groups as a result of this study.

Keywords: Inorganic filler, boron nitride, surface treatment, coupling agent, analysis of bonding state

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Authors: Y. Hu, X. Zhao, T. Yamaguchi, M. Sasajima, Y. Koike

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To focus on the vibration mode of a cone loudspeaker, which acts as an electroacoustic transducer, excitation experiments were performed using two types of loudspeaker units: one employing an impulse hammer and the other a sweep signal. The on-axis sound pressure frequency properties of the loudspeaker were evaluated, and the characteristic properties of the loudspeakers were successfully determined in both excitation experiments. Moreover, under conditions identical to the experiment conditions, a coupled analysis of the vibration-acoustics of the cone loudspeaker was performed using an acoustic analysis software program that considers the impact of damping caused by air viscosity. The result of sound pressure frequency properties with the numerical analysis are the most closely match that measured in the excitation experiments over a wide range of frequency bands.

Keywords: Anechoic room, finite element method, impulse hammer, loudspeaker, reverberation room, sweep signal.

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Authors: T. Pavic Kramaric, M. Kitic

Abstract:

The purpose of this article is to analyze the market structure as well as the degree of concentration in insurance markets in new EU member states. The analysis was conducted using several most commonly used concentration indicators such as concentration ratio, Herfindahl-Hirschman index and entropy index. These indicators were calculated for the 2000-2010 period on the basis of total gross written premium as the most relevant indicator of market power in insurance markets. The results of the analysis showed that in all observed countries the level of concentration decreased, though with significantly different intensity. Yet, in some countries, the level of concentration remains very high.

Keywords: insurance market, concentration, new EU member states

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Authors: M. Raciti Castelli, S. De Betta, E. Benini

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The optimal grid spacing and turbulence model for the 2D numerical analysis of a vertical-axis water turbine (VAWaterT) operating in a 2 m/s freestream current has been investigated. The results of five different spatial domain discretizations and two turbulence models (k-ω SST and k-ε RNG) have been compared, in order to gain the optimal y+ parameter distribution along the blade walls during a full rotor revolution. The resulting optimal mesh has appeared to be quite similar to that obtained for the numerical analysis of a vertical-axis wind turbine.

Keywords: CFD, vertical axis water turbine, NACA 0025, blade y+.

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Authors: Mohammed Mohsin Ali H., Mohamed Haneef

Abstract:

The connecting rod transmits the piston load to the crank causing the latter to turn, thus converting the reciprocating motion of the piston into a rotary motion of the crankshaft. Connecting rods are subjected to forces generated by mass and fuel combustion. This study investigates and compares the fatigue behavior of forged steel, powder forged and ASTM a 514 steel cold quenched connecting rods. The objective is to suggest for a new material with reduced weight and cost with the increased fatigue life. This has entailed performing a detailed load analysis. Therefore, this study has dealt with two subjects: first, dynamic load and stress analysis of the connecting rod, and second, optimization for material, weight and cost. In the first part of the study, the loads acting on the connecting rod as a function of time were obtained. Based on the observations of the dynamic FEA, static FEA, and the load analysis results, the load for the optimization study was selected. It is the conclusion of this study that the connecting rod can be designed and optimized under a load range comprising tensile load and compressive load. Tensile load corresponds to 360^o crank angle at the maximum engine speed. The compressive load is corresponding to the peak gas pressure. Furthermore, the existing connecting rod can be replaced with a new connecting rod made of ASTM a 514 steel cold quenched that is 12% lighter and 28% cheaper.

Keywords: Connecting rod, ASTM a514 cold quenched steel, static analysis, fatigue analysis, stress life approach.

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Authors: Christer Ahlstrom, Katja Höglund, Peter Hult, Jens Häggström, Clarence Kvart, Per Ask

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It is sometimes difficult to differentiate between innocent murmurs and pathological murmurs during auscultation. In these difficult cases, an intelligent stethoscope with decision support abilities would be of great value. In this study, using a dog model, phonocardiographic recordings were obtained from 27 boxer dogs with various degrees of aortic stenosis (AS) severity. As a reference for severity assessment, continuous wave Doppler was used. The data were analyzed with recurrence quantification analysis (RQA) with the aim to find features able to distinguish innocent murmurs from murmurs caused by AS. Four out of eight investigated RQA features showed significant differences between innocent murmurs and pathological murmurs. Using a plain linear discriminant analysis classifier, the best pair of features (recurrence rate and entropy) resulted in a sensitivity of 90% and a specificity of 88%. In conclusion, RQA provide valid features which can be used for differentiation between innocent murmurs and murmurs caused by AS.

Keywords: Bioacoustics, murmur, phonocardiographic signal, recurrence quantification analysis.

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Authors: M. S. Ahmed, F. A. Mohammad

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The aim of this paper is to perform experimental modal analysis (EMA) of reinforced concrete (RC) square slabs. EMA is the process of determining the modal parameters (Natural Frequencies, damping factors, modal vectors) of a structure from a set of frequency response functions FRFs (curve fitting). Although, experimental modal analysis (or modal testing) has grown steadily in popularity since the advent of the digital FFT spectrum analyzer in the early 1970’s, studying all types of members and materials using such method have not yet been well documented. Therefore, in this work, experimental tests were conducted on RC square slab specimens of dimensions 600mm x 600mmx 40mm. Experimental analysis was based on freely supported boundary condition. Moreover, impact testing as a fast and economical means of finding the modes of vibration of a structure was used during the experiments. In addition, Pico Scope 6 device and MATLAB software were used to acquire data, analyze and plot Frequency Response Function (FRF). The experimental natural frequencies which were extracted from measurements exhibit good agreement with analytical predictions. It is showed that EMA method can be usefully employed to investigate the dynamic behavior of RC slabs.

Keywords: Natural frequencies, Mode shapes, Modal analysis, RC slabs.

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Authors: P. Puustinen, A. Kanto

Abstract:

This paper proposes a new procedure for analyzing means-end chain data in marketing research. Most commonly the collected data is summarized in the Hierarchical Value Map (HVM) illustrating the main attribute-consequence-value linkages. This paper argues that traditionally constructed HVM may give an erroneous impression of the results of a means-end study. To justify the arguments, an alternative procedure to (1) determine the dominant attribute-consequence-value linkages and (2) construct HVM in a precise manner is presented. The current approach makes a contribution to means-end analysis, allowing marketers to address a set of marketing problems, such as advertising strategy.

Keywords: Means-end chain analysis, Laddering, Hierarchical Value Map.

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

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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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