Search results for: Density Functional Theory

Authors: Liu Ping

Abstract:

In this paper, for an arbitrary multiplicative functional f from the set of all upper triangular fuzzy matrices to the fuzzy algebra, we prove that there exist a multiplicative functional F and a functional G from the fuzzy algebra to the fuzzy algebra such that the image of an upper triangular fuzzy matrix under f can be represented as the product of all the images of its main diagonal elements under F and other elements under G.

Keywords: Multiplicative functional, triangular fuzzy matrix, fuzzy addition operation, fuzzy multiplication operation.

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Authors: Ephraim Gower, Thato Tsalaile, Monageng Kgwadi, Malcolm Hawksford.

Abstract:

In this paper, the statistical properties of filtered or convolved signals are considered by deriving the resulting density functions as well as the exact mean and variance expressions given a prior knowledge about the statistics of the individual signals in the filtering or convolution process. It is shown that the density function after linear convolution is a mixture density, where the number of density components is equal to the number of observations of the shortest signal. For circular convolution, the observed samples are characterized by a single density function, which is a sum of products.

Keywords: Circular Convolution, linear Convolution, mixture density function.

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Authors: Lili Wang, Meng Hu

Abstract:

In this paper, based on almost periodic functional hull theory and M-matrix theory, some sufficient conditions are established for the existence and uniqueness of positive almost periodic solution for a class of BAM neural networks with time-varying delays. An example is given to illustrate the main results.

Keywords: Delayed BAM neural networks, Hull theorem, Mmatrix, Almost periodic solution, Global exponential stability.

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Authors: Tae H. Lee, J.H. Park, S.M. Lee, H.Y. Jung

Abstract:

This paper addresses functional projective lag synchronization of Lorenz system with four unknown parameters, where the output of the master system lags behind the output of the slave system proportionally. For this purpose, an adaptive control law is proposed to make the states of two identical Lorenz systems asymptotically synchronize up. Based on Lyapunov stability theory, a novel criterion is given for asymptotical stability of the null solution of an error dynamics. Finally, some numerical examples are provided to show the effectiveness of our results.

Keywords: Adaptive function projective synchronization, Chaotic system, Lag synchronization, Lyapunov method

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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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Authors: Soon-Mo Jung

Abstract:

The functional equation f(3x) = 4f(3x-3)+f(3x- 6) will be solved and its Hyers-Ulam stability will be also investigated in the class of functions f : R → X, where X is a real Banach space.

Keywords: Functional equation, Lucas sequence of the first kind, Hyers-Ulam stability.

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Authors: Han Run-Sheng, Li Wen-Yao, Wang Feng, Liu Fei, Qiu Wen-Long, Lei Li

Abstract:

Accurately positioning detection of concealed deposits or ore-bodies is one of the difficult problems in mineral exploration field. Theory calculation and exploration practices for tunnel gravity indicate that 3D high-precision Tunnel Gravity Exploration Method (TGEM) can find concealed high-density three-dimensional ore-bodies in the depth. The ore-finding breakthroughs at the depth of the Zhaotong Maoping carbonate-hosted Zn–Pb–(Ag–Ge) deposit in Northeastern Yunnan have proved that the exploration method in combination with MEAHFZ method is effective to detect concealed high-density ore-bodies. TGEM may overcome anomalous ambiguity of other geophysical methods for 3D positioning of concealed ore-bodies.

Keywords: 3D tunnel gravity exploration method, concealed high-density ore-bodies, Zn–Pb–(Ag–Ge) deposit, Zaotong Maoping, Northeastern Yunnan.

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Authors: Aly Farag, Ayman El-Baz, Refaat Mohamed

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In this paper we present a novel approach for density estimation. The proposed approach is based on using the logistic regression model to get initial density estimation for the given empirical density. The empirical data does not exactly follow the logistic regression model, so, there will be a deviation between the empirical density and the density estimated using logistic regression model. This deviation may be positive and/or negative. In this paper we use a linear combination of Gaussian (LCG) with positive and negative components as a model for this deviation. Also, we will use the expectation maximization (EM) algorithm to estimate the parameters of LCG. Experiments on real images demonstrate the accuracy of our approach.

Keywords: Logistic regression model, Expectationmaximization, Segmentation.

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Authors: F. Bendahma, M. Mana, B. Bestani, S. Bentata

Abstract:

This study deals with the structural and electronic properties of ternary PdMnGe Half-Heusler alloy using the full potential linearized augmented plane wave (FP-LAPW) method based on the density functional theory (DFT) as implemented in the WIEN2k package, within the framework of generalized gradient approximation (GGA). Structural parameters, total and partial densities of states were also analyzed. The obtained result shows that the studied material is metallic in GGA treatment. The elastic constants (Cij) show that our compound is ductile, stiff and anisotropic.

Keywords: Full potential linearized augmented plane wave, generalized gradient approximation treatment, Half-Heusler, structural and electronic properties.

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Authors: Zhaohui Wen

Abstract:

In this paper, a food chain model with Holling type II functional response on time scales is investigated. By using the Mawhin-s continuation theorem in coincidence degree theory, sufficient conditions for existence of periodic solutions are obtained.

Keywords: Periodic solutions, food chain model, coincidence degree, time scales.

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Authors: V. Thamizh Arasan, G. Dhivya

Abstract:

Traffic Density provides an indication of the level of service being provided to the road users. Hence, there is a need to study the traffic flow characteristics with specific reference to density in detail. When the length and speed of the vehicles in a traffic stream vary significantly, the concept of occupancy, rather than density, is more appropriate to describe traffic concentration. When the concept of occupancy is applied to heterogeneous traffic condition, it is necessary to consider the area of the road space and the area of the vehicles as the bases. Hence, a new concept named, 'area-occupancy' is proposed here. It has been found that the estimated area-occupancy gives consistent values irrespective of change in traffic composition.

Keywords: Density Measurement, Heterogeneity, Occupancy, Traffic Flow.

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Authors: Pauline E. Ngo-Henha

Abstract:

Existing turnover intention theories are reviewed in this paper. This review was conducted with the help of the search keyword “turnover intention theories” in Google Scholar during the month of July 2017. These theories include: The Theory of Organizational Equilibrium (TOE), Social Exchange Theory, Job Embeddedness Theory, Herzberg’s Two-Factor Theory, the Resource-Based View, Equity Theory, Human Capital Theory, and the Expectancy Theory. One of the limitations of this review paper is that data were only collected from Google Scholar where many papers were sometimes not freely accessible. However, this paper attempts to contribute to the research in clarifying the distinction between theories and models in the context of turnover intention.

Keywords: Job embeddedness theory, theory of organizational equilibrium (TOE), Herzberg’s two-factor theory, turnover intention theories, theories and models.

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Authors: Wei Bai, Ling-Wei Kong, Ai-Guo Guo

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Base on extenics theory, the statistical physical and mechanical properties from laboratory experiments are used to evaluate the bearing capacity of lateritic soil foundation. The properties include water content, bulk density, liquid limit, cohesion, and so on. The matter-element and the dependent function are defined. Then the synthesis dependent degree and the final grade index are calculated. The results show that predicted outcomes can be matched with the in-situ test data, and a evaluate grade associate with bearing capacity can be deduced. The results provide guidance to assess and determine the bearing capacity grade of lateritic soil foundation.

Keywords: Lateritic soil, bearing capacity, extenics theory, plate loading test.

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Authors: Kejun Zhuang, Hailong Zhu

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In this paper, the three species food chain model on time scales is established. The Monod–Haldane functional response and time delay are considered. With the help of coincidence degree theory, existence of periodic solutions is investigated, which unifies the continuous and discrete analogies.

Keywords: Food chain system, periodic solution, time scales, coincidence degree.

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Authors: Salem El-t. Ashoor, Ibtisam M. Ediab

Abstract:

Zirconium diamine and triamine complexes can possess biological activities. These complexes were synthesised via the reaction of equimolar quantities of 1,10-phenanthroline {NC₃H₃(C₆H₂)NC₃H₃} (L1) or 4-4-amino phenazone {ONC₆H₅(NH)CH(NH₂} (L2) or diphenyl carbizon {HNNCO(NH)₂(C₆H₅)} (L3) with a Zirconium Salt {ZrOCl₂} in a 1:1 ratio to form complexes [{NC₃H₃(C₆H₂)NC₃H₃}ZrOCl₂}] [ZrOCl₂L₁], [{(O₂NC₆H₄(NH)(NH₂)}ZrOCl₂] [ZrOCl₂L₂] and [{HNNCO(NH)₂(C₆H₅)ZrOCl₂}] [ZrOCl₂L₃] respectively. They were characterised using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes was completed, using UV-Visible spectroscopy to observe electronic transitions under temperature control. Also a DFT study was done on these complexes via the information from FT-IR and UV-Visible spectroscopy.

These complexes were found to show different inhibition to the growth of bacterial strains of Bacillus spp. & Klebsiella spp. & E. coli & Proteus spp. & Pseudomona spp. at different concentrations (0.001, 0.2 and 1M). For better understanding these complexes were examined by using a Density Functional Theory (DFT) calculation.

Keywords: (1:10-phenanthroline) (L1), 4-4-amino phenazone (L2), diphenyl carbizon (L3), DFT study, antibacterial.

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Authors: H. Paredes Gutiérrez, S. T. Pérez-Merchancano

Abstract:

Motivated by recent experimental and theoretical developments, we investigate the influence of embedded quantum dot (EQD) of different geometries (lens, ring and pyramidal) in a double barrier heterostructure (DBH). We work with a general theory of quantum transport that accounts the tight-binding model for the spin dependent resonant tunneling in a semiconductor nanostructure, and Rashba spin orbital to study the spin orbit coupling. In this context, we use the second quantization theory for Rashba effect and the standard Green functions method. We calculate the current density as a function of the voltage without and in the presence of quantum dots. In the second case, we considered the size and shape of the quantum dot, and in the two cases, we worked considering the spin polarization affected by external electric fields. We found that the EQD generates significant changes in current when we consider different morphologies of EQD, as those described above. The first thing shown is that the current decreases significantly, such as the geometry of EQD is changed, prevailing the geometrical confinement. Likewise, we see that the current density decreases when the voltage is increased, showing that the quantum system studied here is more efficient when the morphology of the quantum dot changes.

Keywords: Quantum semiconductors, nanostructures, quantum dots, spin polarization.

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Authors: Dubbale Daniel A., Tsutsumi J.

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This research work takes a different approach in the discussion of urban form impacts on transport planning and auto dependency. Concentrated density represented by effective density explains auto dependency better than the conventional density and it is proved to be a realistic density representative for the urban transportation analysis. Model analysis reveals that effective density is influenced by the shopping accessibility index as well as job density factor. It is also combined with the job access variable to classify four levels of Transport Activity Centers (TACs) in Okinawa, Japan. Trip attraction capacity and levels of the newly classified TACs was found agreeable with the amount of daily trips attracted to each center. The trip attraction data set was drawn from a 2007 Okinawa personal trip survey. This research suggests a planning methodology which guides logical transport supply routes and concentrated local development schemes.

Keywords: Effective density, urban form, auto-dependency, transport activity centers

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Authors: John N. Haddad, Serge B. Provost

Abstract:

Given a bivariate normal sample of correlated variables, (Xi, Yi), i = 1, . . . , n, an alternative estimator of Pearson’s correlation coefficient is obtained in terms of the ranges, |Xi − Yi|. An approximate confidence interval for ρX,Y is then derived, and a simulation study reveals that the resulting coverage probabilities are in close agreement with the set confidence levels. As well, a new approximant is provided for the density function of R, the sample correlation coefficient. A mixture involving the proposed approximate density of R, denoted by hR(r), and a density function determined from a known approximation due to R. A. Fisher is shown to accurately approximate the distribution of R. Finally, nearly exact density approximants are obtained on adjusting hR(r) by a 7th degree polynomial.

Keywords: Sample correlation coefficient, density approximation, confidence intervals.

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Authors: Bachir Chemani, Rachid Halfaoui

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The aim of work is to define the distribution density of winding yarn on cylindrical and conical bobbins. It is known that parallel winding gives greater density and more regular distribution, but the unwinding of yarn is much more difficult for following process. The conical spool has an enormous advantage during unwinding and may contain a large amount of yarns, but the density distribution is not regular because of difference in diameters. The variation of specific density over the reel height is explained generally by the sudden change of winding speed due to direction movement variation of yarn. We determined the conditions of uniform winding and developed a calculate model to the change of the specific density of winding wire over entire spool height.

Keywords: Textile, cylindrical bobbins, conical bobbins, parallel winding, cross winding.

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

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We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: Full-potential KKR-Green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect.

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Authors: Todor Penchev, Dimitar Karastojanov, Ivan Altaparmakov

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For briquetting of metal chips are used hydraulic and mechanical presses. The density of the briquettes in this case is about 60% - 70 % on the density of solid metal. In this work are presented the results of experimental studies for briquetting of metal chips, by using a new technology for impact briquetting. The used chips are by Armco iron, steel, cast iron, copper, aluminum and brass. It has been found that: (i) in a controlled impact the density of the briquettes can be increases up to 30%; (ii) at the same specific impact energy Es (J/sm3) the density of the briquettes increases with increasing of the impact velocity; (iii), realization of the repeated impact leads to decrease of chips density, which can be explained by distribution of elastic waves in the briquette.

Keywords: Briquetting, chips briquetting, impact briquetting.

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Authors: Ali Khourgami, Masoud Rafiee, Korous Rahmati, Ghobad Bour

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In order to study the effect of plant density and competition of wheat with field bindweed (Convolvulus arvensis) on yield and agronomical properties of wheat(Triticum Sativum) in irrigated conditions, a factorial experiment as the base of complete randomize block design in three replication was conducted at the field of Kamalvand in khoramabad (Lorestan) region of Iran during 2008-2009. Three plant density (Factor A=200, 230 and 260kg/ha) three cultivar (Factor B=Bahar,Pishtaz and Alvand) and weed control (Factor C= control and no control of weeds)were assigned in experiment. Results show that: Plant density had significant effect (statistically) on seed yield, 1000 seed weight, weed density and dry weight of weeds, seed yield and harvest index had been meaningful effect for cultivars. The interaction between plant density and cultivars for weed density, seed yield, thousand seed weight and harvest index were significant. 260 kg/ha (plant density) of wheat had more effect on increasing of seed yield in Bahar cultivar wheat in khoramabad region of Iran.

Keywords: Convolvulus arvensis, plant density, Triticumsativum, weed density, Wheat

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Authors: B. O. Ayinmode, I. P. Farai

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The levels of maximum power density of GSM signals in the cities of Lagos, Ibadan and Abuja were studied. Measurements were made with a calibrated hand held spectrum analyzer 200m away from 271 base stations, at 1.2m to the ground level. The maximum GSM 900 signal power density was 139.63μW/m2 in Lagos, 162.49μW/m2 in Ibadan and 5411.26μW/m2 in Abuja. Also, the maximum GSM 1800 signal power density was 296.82μW/m2 in Lagos, 116.82μW/m2 in Ibadan and 1263.00μW/m2 in Abuja. The level of power density of GSM 900 and GSM 1800 signals in the cities of Lagos, Ibadan and Abuja are far less than the recommended value of 4.5W/m2 for GSM 900 and 9.0 W/m2 for GSM 1800 by the ICNRP guideline. It can be concluded that exposure to GSM signals in these cities cannot contribute to the health detriments caused by thermal effects of radiofrequency radiation.

Keywords: Radiofrequency, power density, radiation exposure, base stations (BTS).

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Authors: Ajay Gupta, Arvind Bhardwaj, Arun Kanda

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Dr Eliyahu Goldratt has done the pioneering work in the development of Theory of Constraints. Since then, many more researchers around the globe are working to enhance this body of knowledge. In this paper, an attempt has been made to compile the salient features of this theory from the work done by Goldratt and other researchers. This paper will provide a good starting point to the potential researchers interested to work in Theory of Constraints. The paper will also help the practicing managers by clarifying their concepts on the theory and will facilitate its successful implementation in their working areas.

Keywords: Drum-Buffer-Rope, Goldratt, ProductionScheduling, Theory of Constraints.

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Authors: Nieves M. C. Talavera-Prieto, Abel G. M. Ferreira, António T. G. Portugal, Rui J. Moreira, Jaime B. Santos

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The knowledge of biodiesel density over large ranges of temperature and pressure is important for predicting the behavior of fuel injection and combustion systems in diesel engines, and for the optimization of such systems. In this study, cottonseed oil was transesterified into biodiesel and its density was measured at temperatures between 288 K and 358 K and pressures between 0.1 MPa and 30 MPa, with expanded uncertainty estimated as ±1.6 kg⋅m- 3. Experimental pressure-volume-temperature (pVT) cottonseed data was used along with literature data relative to other 18 biodiesels, in order to build a database used to test the correlation of density with temperarure and pressure using the Goharshadi–Morsali–Abbaspour equation of state (GMA EoS). To our knowledge, this is the first that density measurements are presented for cottonseed biodiesel under such high pressures, and the GMA EoS used to model biodiesel density. The new tested EoS allowed correlations within 0.2 kg·m-3 corresponding to average relative deviations within 0.02%. The built database was used to develop and test a new full predictive model derived from the observed linear relation between density and degree of unsaturation (DU), which depended from biodiesel FAMEs profile. The average density deviation of this method was only about 3 kg.m-3 within the temperature and pressure limits of application. These results represent appreciable improvements in the context of density prediction at high pressure when compared with other equations of state.

Keywords: Biodiesel, Correlation, Density, Equation of state, Prediction.

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Authors: Boy Arief Fachri

Abstract:

Even its content is rich in antioxidants ϒ-oryzanol, rice bran is not used properly as functional food. This research aims to (1) extract ϒ-oryzanol; (2) determine the solubility of ϒ-oryzanol in supercritical CO₂ based on phase equilibrium theory; and (3) study the effect of process variables on solubility. Extraction experiments were carried out for rice bran (5 g) at various extraction pressures, temperatures and reaction times. The flowrate of supercritical fluid through the extraction vessel was 25 g/min. The extracts were collected and analysed with high-pressure liquid chromatography (HPLC). The conclusion based on the experiments are as: (1) The highest experimental solubility was 0.303 mcg/mL RBO at T= 60°C, P= 90 atm, t= 30 min; (2) Solubility of ϒ-oryzanol was influenced by pressure and temperature. As the pressure and temperature increase, the solubility increases; (3) The solubility data of supercritical extraction can be successfully determined using phase equilibrium theory. Meanwhile, tocopherol was found and slightly investigated in this work.

Keywords: Rice bran, solubility, supercritical CO2, ϒ-orizanol.

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Authors: Abdul H, Jamil A, Imran U

Abstract:

Conflicts identification among non-functional requirements is often identified intuitively which impairs conflict analysis practices. This paper proposes a new model to identify conflicts among non-functional requirements. The proposed model uses the matrix mechanism to identify the quality based conflicts among non-functional requirements. The potential conflicts are identified through the mapping of low level conflicting quality attributes to low level functionalities using the matrices. The proposed model achieves the identification of conflicts among product and process requirements, identifies false conflicts, decreases the documentation overhead, and maintains transparency of identified conflicts. The attributes are not concomitantly taken into account by current models in practice.

Keywords: Conflict Identification, Matrix Maps, Non-functional Requirements, Requirements Analysis, Software Engineering

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Authors: Vinod Tejwani, Bhavik Suthar

Abstract:

The paper presents and energy management strategy for a Fuel Cell, Ultracapacitor, Battery hybrid energy storage. The fuel cell hybrid power system is devised basically for emergency power requirements and transient load applications. The power density of an Ultracapacitor is extremely high and for a battery, it is subtle. For a fuel cell, the value of power density is medium. The energy density of these three stockpiling gadgets is contrarily about the power density, i.e. for the batteries it is most noteworthy and for the Ultracapacitor, it is least. Again the fuel cell has medium energy density. The proposed Energy Management System (EMS) is trying to rationalize these parameters viz. the energy density and power density. The working of the fuel cell, Ultracapacitor and batteries are controlled in a coordinated environment in a way to optimize the energy usage and at the same time to get benefits of power and energy density from their inherent characteristics. MATLAB/ Simulink® based test bench is created by using different DC-DC converters for all energy storage devices and an inverter is modeled to supply the time varying load. The results provided by the EMS are highly satisfactory that proves its adaptability.

Keywords: Energy Management System (EMS) Fuel Cell, Ultracapacitor, Battery, Hybrid Energy Storage.

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Authors: Nermin Sökmen

Abstract:

An effort estimation model is needed for softwareintensive projects that consist of hardware, embedded software or some combination of the two, as well as high level software solutions. This paper first focuses on functional decomposition techniques to measure functional complexity of a computer system and investigates its impact on system development effort. Later, it examines effects of technical difficulty and design team capability factors in order to construct the best effort estimation model. With using traditional regression analysis technique, the study develops a system development effort estimation model which takes functional complexity, technical difficulty and design team capability factors as input parameters. Finally, the assumptions of the model are tested.

Keywords: Functional complexity, functional decomposition, development effort, technical difficulty, design team capability, regression analysis.

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Authors: A. Benmakhlouf, A. Bentabet

Abstract:

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: Pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase.

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