Search results for: Density functional
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1672

Search results for: Density functional

1462 Stochastic Subspace Modelling of Turbulence

Authors: M. T. Sichani, B. J. Pedersen, S. R. K. Nielsen

Abstract:

Turbulence of the incoming wind field is of paramount importance to the dynamic response of civil engineering structures. Hence reliable stochastic models of the turbulence should be available from which time series can be generated for dynamic response and structural safety analysis. In the paper an empirical cross spectral density function for the along-wind turbulence component over the wind field area is taken as the starting point. The spectrum is spatially discretized in terms of a Hermitian cross-spectral density matrix for the turbulence state vector which turns out not to be positive definite. Since the succeeding state space and ARMA modelling of the turbulence rely on the positive definiteness of the cross-spectral density matrix, the problem with the non-positive definiteness of such matrices is at first addressed and suitable treatments regarding it are proposed. From the adjusted positive definite cross-spectral density matrix a frequency response matrix is constructed which determines the turbulence vector as a linear filtration of Gaussian white noise. Finally, an accurate state space modelling method is proposed which allows selection of an appropriate model order, and estimation of a state space model for the vector turbulence process incorporating its phase spectrum in one stage, and its results are compared with a conventional ARMA modelling method.

Keywords: Turbulence, wind turbine, complex coherence, state space modelling, ARMA modelling.

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1461 Temperature Dependent Interaction Energies among X (=Ru, Rh) Impurities in Pd-Rich PdX Alloys

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

Abstract:

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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1460 Simulation of Acoustic Properties of Borate and Tellurite Glasses

Authors: M. S. Gaafar, S. Y. Marzouk, I. S. Mahmoud, S. Al-Zobaidi

Abstract:

Makishima and Mackenzie model was used to simulation of acoustic properties (longitudinal and shear ultrasonic wave velocities, elastic moduli theoretically for many tellurite and borate glasses. The model was proposed mainly depending on the values of the experimentally measured density, which are obtained before. In this search work, we are trying to obtain the values of densities of amorphous glasses (as the density depends on the geometry of the network structure of these glasses). In addition, the problem of simulating the slope of linear regression between the experimentally determined bulk modulus and the product of packing density and experimental Young's modulus, were solved in this search work. The results showed good agreement between the experimentally measured values of densities and both ultrasonic wave velocities, and those theoretically determined.

Keywords: Glasses, ultrasonic wave velocities, elastic moduli, Makishima and Mackenzie model.

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1459 Physicochemical and Microbiological Properties of Kefir, Kefir Yogurt and Chickpea Yogurt

Authors: Nuray Güzeler, Elif Ari, Gözde Konuray, Çağla Özbek

Abstract:

The consumption of functional foods is very common. For this reason, many products which are probiotic, prebiotic, energy reduced and fat reduced are developed. In this research, physicochemical and microbiological properties of functional kefir, kefir yogurt and chickpea yogurt were examined. For this purpose, pH values, titration acidities, viscosity values, water holding capacities, serum separation values, acetaldehyde contents, tyrosine contents, the count of aerobic mesophilic bacteria, lactic acid bacteria count and mold-yeast counts were determined. As a result of performed analysis, the differences between titration acidities, serum separation values, water holding capacities, acetaldehyde and tyrosine contents of samples were statistically significant (p < 0.05). There were no significant differences on pH values, viscosities, and microbiological properties of samples (p > 0.05). Consequently industrial production of functional kefir yogurt and chickpea yogurt may be advised.

Keywords: Chickpea yogurt, kefir, kefir yogurt, milk.

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1458 An Efficient VLSI Design Approach to Reduce Static Power using Variable Body Biasing

Authors: Md. Asif Jahangir Chowdhury, Md. Shahriar Rizwan, M. S. Islam

Abstract:

In CMOS integrated circuit design there is a trade-off between static power consumption and technology scaling. Recently, the power density has increased due to combination of higher clock speeds, greater functional integration, and smaller process geometries. As a result static power consumption is becoming more dominant. This is a challenge for the circuit designers. However, the designers do have a few methods which they can use to reduce this static power consumption. But all of these methods have some drawbacks. In order to achieve lower static power consumption, one has to sacrifice design area and circuit performance. In this paper, we propose a new method to reduce static power in the CMOS VLSI circuit using Variable Body Biasing technique without being penalized in area requirement and circuit performance.

Keywords: variable body biasing, state saving technique, stack effect, dual V-th, static power reduction.

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1457 Effect of Transglutaminase Cross Linking on the Functional Properties as a Function of NaCl Concentration of Legumes Protein Isolate

Authors: Nahid A. Ali, Salma H. Ahmed, ElShazali A. Mohamed, Isam A. Mohamed Ahmed, Elfadil E.Babiker

Abstract:

The effect of cross linking of the protein isolates of three legumes with the microbial enzyme transglutaminase (EC 2.3.2.13) on the functional properties at different NaCl concentration was studied. The reduction in the total free amino groups (OD340) of the polymerized protein showed that TGase treatment cross-linking the protein subunit of each legume. The solubility of the protein polymer of each legume was greatly improved at high concentration of NaCl. At 1.2 M NaCl the solubility of the native legumes protein was significantly decreased but after polymerization slightly improved. Cross linked proteins were less turbid on heating to higher temperature as compared to native proteins and the temperature at which the protein turns turbid also increased in the polymerized proteins. The emulsifying and foaming properties of the protein polymer were greatly improved at all concentrations of NaCl for all legumes.

Keywords: Functional properties, Legumes, Protein isolate, NaCl, Transglutaminase.

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1456 DFT Study of Half Sandwich of Vanadium (IV) Cyclopentadienyl Complexes

Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH2)3NAr)}2-((ηn-Cp)Cp)} (Ar = 2,6-Pri2C6H3)(Cp = C5H5 and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH2)3NAr)2Cl(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH2)3NAr)2Cl(η1-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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1455 Existence of Periodic Solutions in a Food Chain Model with Holling–type II Functional Response

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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1454 Topology Optimization of Structures with Web-Openings

Authors: D. K. Lee, S. M. Shin, J. H. Lee

Abstract:

Topology optimization technique utilizes constant element densities as design parameters. Finally, optimal distribution contours of the material densities between voids (0) and solids (1) in design domain represent the determination of topology. It means that regions with element density values become occupied by solids in design domain, while there are only void phases in regions where no density values exist. Therefore the void regions of topology optimization results provide design information to decide appropriate depositions of web-opening in structure. Contrary to the basic objective of the topology optimization technique which is to obtain optimal topology of structures, this present study proposes a new idea that topology optimization results can be also utilized for decision of proper web-opening’s position. Numerical examples of linear elastostatic structures demonstrate efficiency of methodological design processes using topology optimization in order to determinate the proper deposition of web-openings.

Keywords: Topology optimization, web-opening, structure, element density, material.

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1453 Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm

Authors: D. Toghraie, A. R. Azimian

Abstract:

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

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1452 The Light-Effect in Cylindrical Quantum Wire with an Infinite Potential for the Case of Electrons: Optical Phonon Scattering

Authors: Hoang Van Ngoc, Nguyen Vu Nhan, Nguyen Quang Bau

Abstract:

The light-effect in cylindrical quantum wire with an infinite potential for the case of electrons, optical phonon scattering, is studied based on the quantum kinetic equation. The density of the direct current in a cylindrical quantum wire by a linearly polarized electromagnetic wave, a DC electric field, and an intense laser field is calculated. Analytic expressions for the density of the direct current are studied as a function of the frequency of the laser radiation field, the frequency of the linearly polarized electromagnetic wave, the temperature of system, and the size of quantum wire. The density of the direct current in cylindrical quantum wire with an infinite potential for the case of electrons – optical phonon scattering is nonlinearly dependent on the frequency of the linearly polarized electromagnetic wave. The analytic expressions are numerically evaluated and plotted for a specific quantum wire, GaAs/GaAsAl.

Keywords: The light-effect, cylindrical quantum wire with an infinite potential, the density of the direct current, electrons - optical phonon scattering.

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1451 Demonstration of a Low-Cost Monocycle Pulse for UWB Radio Transceiver

Authors: Richard Thai-Singama, Jean-Pierre Belin, Frédéric Du Burck, Marc Piette

Abstract:

This paper presents a simple and original method for the generation of short monocycle pulses based on the transient response of a passive band-pass filter. The recorded sub-nanosecond pulses show a good symmetry and a small ringing (13 % of the peak amplitude). Their spectral density covers the range 3.1 GHz to 10.6 GHz. The possibility to adapt the pulse spectral density to the indoor FCC frequency mask is demonstrated with a prototype working at a reduced frequency (FCC/1000). A detection technique is proposed.

Keywords: Impulse, Monocycle, Transient, UWB.

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1450 Investigation of Spatial Changes in the Context of Cultural Sustainability

Authors: Aslı Taş, Şebnem Ertaş

Abstract:

Culture consists of material and spiritual values adopted by the emerging societies during the historical and social processes and continues to exist from past to present by being transferred through generations. Culture and cultural sustainability are interdependent concepts. Cultural sustainability exists when the requirements established cultural expression are added to the social life as lifestyle and habits. However, sustainability renders change inevitable. Changes that take place in the culture of a society also shows the impact in the daily life places. Functional changes occur in the spaces in order to adapt particularly to cultural change that appear in the aftermath of the user change, to modern technology and living standards. In this context, in this study, it was aimed to investigate the effect of the time-dependent functional changes that took place in the housing where non-Muslim population who was subject to population exchange and Muslim population lived after the population exchange in the vacated housing in Sille. Therefore, the changed and newly added venues in the house belonging to Ali Oğuz in Hacı Ali Ağa Street were investigated over the generated graphic in order to clearly perceive the cultural exchange on the housing and settlement and the functional changes were demonstrated.

Keywords: Culture, house, spatial changes, sustainability.

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1449 A Hybrid Method for Eyes Detection in Facial Images

Authors: Muhammad Shafi, Paul W. H. Chung

Abstract:

This paper proposes a hybrid method for eyes localization in facial images. The novelty is in combining techniques that utilise colour, edge and illumination cues to improve accuracy. The method is based on the observation that eye regions have dark colour, high density of edges and low illumination as compared to other parts of face. The first step in the method is to extract connected regions from facial images using colour, edge density and illumination cues separately. Some of the regions are then removed by applying rules that are based on the general geometry and shape of eyes. The remaining connected regions obtained through these three cues are then combined in a systematic way to enhance the identification of the candidate regions for the eyes. The geometry and shape based rules are then applied again to further remove the false eye regions. The proposed method was tested using images from the PICS facial images database. The proposed method has 93.7% and 87% accuracies for initial blobs extraction and final eye detection respectively.

Keywords: Erosion, dilation, Edge-density

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1448 Controlling Water Temperature during the Electrocoagulation Process Using an Innovative Flow Column-Electrocoagulation Reactor

Authors: Khalid S. Hashim, Andy Shaw, Rafid Alkhaddar, Montserrat Ortoneda Pedrola

Abstract:

A flow column has been innovatively used in the design of a new electrocoagulation reactor (ECR1) that will reduce the temperature of water being treated; where the flow columns work as a radiator for the water being treated. In order to investigate the performance of ECR1 and compare it to that of traditional reactors; 600 mL water samples with an initial temperature of 350C were pumped continuously through these reactors for 30 min at current density of 1 mA/cm2. The temperature of water being treated was measured at 5 minutes intervals over a 30 minutes period using a thermometer. Additional experiments were commenced to investigate the effects of initial temperature (15-350C), water conductivity (0.15 – 1.2 S) and current density (0.5 -3 mA/cm2) on the performance of ECR1. The results obtained demonstrated that the ECR1, at a current density of 1 mA/cm2 and continuous flow model, reduced water temperature from 350C to the vicinity of 280C during the first 15 minutes and kept the same level till the end of the treatment time. While, the temperature increased from 28.1 to 29.80C and from 29.8 to 31.90C in the batch and the traditional continuous flow models respectively. In term of initial temperature, ECR1 maintained the temperature of water being treated within the range of 22 to 280C without the need for external cooling system even when the initial temperatures varied over a wide range (15 to 350C). The influent water conductivity was found to be a significant variable that affect the temperature. The desirable value of water conductivity is 0.6 S. However, it was found that the water temperature increased rapidly with a higher current density.

Keywords: Water temperature, flow column, electrocoagulation.

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1447 Comparative Effect of Self-Myofascial Release as a Warm-Up Exercise on Functional Fitness of Young Adults

Authors: Gopal Chandra Saha, Sumanta Daw

Abstract:

Warm-up is an essential component for optimizing performance in various sports before a physical fitness training session. This study investigated the immediate comparative effect of Self-Myofascial Release through vibration rolling (VR), non-vibration rolling (NVR), and static stretching as a part of a warm-up treatment on the functional fitness of young adults. Functional fitness is a classification of training that prepares the body for real-life movements and activities. For the present study 20male physical education students were selected as subjects. The age of the subjects was ranged from 20-25 years. The functional fitness variables undertaken in the present study were flexibility, muscle strength, agility, static and dynamic balance of the lower extremity. Each of the three warm-up protocol was administered on consecutive days, i.e. 24 hr time gap and all tests were administered in the morning. The mean and SD were used as descriptive statistics. The significance of statistical differences among the groups was measured by applying ‘F’-test, and to find out the exact location of difference, Post Hoc Test (Least Significant Difference) was applied. It was found from the study that only flexibility showed significant difference among three types of warm-up exercise. The observed result depicted that VR has more impact on myofascial release in flexibility in comparison with NVR and stretching as a part of warm-up exercise as ‘p’ value was less than 0.05. In the present study, within the three means of warm-up exercises, vibration roller showed better mean difference in terms of NVR, and static stretching exercise on functional fitness of young physical education practitioners, although the results were found insignificant in case of muscle strength, agility, static and dynamic balance of the lower extremity. These findings suggest that sports professionals and coaches may take VR into account for designing more efficient and effective pre-performance routine for long term to improve exercise performances. VR has high potential to interpret into an on-field practical application means.

Keywords: Self-myofascial release, functional fitness, foam roller, physical education.

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1446 Normalizing Flow to Augmented Posterior: Conditional Density Estimation with Interpretable Dimension Reduction for High Dimensional Data

Authors: Cheng Zeng, George Michailidis, Hitoshi Iyatomi, Leo L Duan

Abstract:

The conditional density characterizes the distribution of a response variable y given other predictor x, and plays a key role in many statistical tasks, including classification and outlier detection. Although there has been abundant work on the problem of Conditional Density Estimation (CDE) for a low-dimensional response in the presence of a high-dimensional predictor, little work has been done for a high-dimensional response such as images. The promising performance of normalizing flow (NF) neural networks in unconditional density estimation acts a motivating starting point. In this work, we extend NF neural networks when external x is present. Specifically, they use the NF to parameterize a one-to-one transform between a high-dimensional y and a latent z that comprises two components [zP , zN]. The zP component is a low-dimensional subvector obtained from the posterior distribution of an elementary predictive model for x, such as logistic/linear regression. The zN component is a high-dimensional independent Gaussian vector, which explains the variations in y not or less related to x. Unlike existing CDE methods, the proposed approach, coined Augmented Posterior CDE (AP-CDE), only requires a simple modification on the common normalizing flow framework, while significantly improving the interpretation of the latent component, since zP represents a supervised dimension reduction. In image analytics applications, AP-CDE shows good separation of x-related variations due to factors such as lighting condition and subject id, from the other random variations. Further, the experiments show that an unconditional NF neural network, based on an unsupervised model of z, such as Gaussian mixture, fails to generate interpretable results.

Keywords: Conditional density estimation, image generation, normalizing flow, supervised dimension reduction.

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1445 Periodic Solutions for a Food Chain System with Monod–Haldane Functional Response on Time Scales

Authors: Kejun Zhuang, Hailong Zhu

Abstract:

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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1444 First Principles Study of Structural and Elastic Properties of BaWO4 Scheelite Phase Structure under Pressure

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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1443 An Approach for Optimization of Functions and Reducing the Value of the Product by Using Virtual Models

Authors: A. Bocevska, G. Todorov, T. Neshkov

Abstract:

New developed approach for Functional Cost Analysis (FCA) based on virtual prototyping (VP) models in CAD/CAE environment, applicable and necessary in developing new products is presented. It is instrument for improving the value of the product while maintaining costs and/or reducing the costs of the product without reducing value. Five broad classes of VP methods are identified. Efficient use of prototypes in FCA is a vital activity that can make the difference between successful and unsuccessful entry of new products into the competitive word market. Successful realization of this approach is illustrated for a specific example using press joint power tool.

Keywords: CAD/CAE environment, Functional Cost Analysis (FCA), Virtual prototyping (VP) models.

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1442 Heating of High-Density Hydrogen by High- Current Arc Radiation

Authors: A. V. Budin, Ph. G. Rutberg, M. E. Pinchuk, A. A. Bogomaz, V. Yu. Svetova

Abstract:

The investigation results of high-density hydrogen heating by high-current electric arc are presented at initial pressure from 5 MPa to 160 MPa with current amplitude up to 1.6 MA and current rate of rise 109-1011 A/s. When changing the initial pressure and current rate of rise, channel temperature varies from several electronvolts to hundreds electronvolts. Arc channel radius is several millimeters. But the radius of the discharge chamber greater than the radius of the arc channel on approximately order of magnitude. High efficiency of gas heating is caused by radiation absorption of hydrogen surrounding the arc. Current channel consist from vapor of the initiating wire. At current rate of rise of 109 A/s and relatively small current amplitude gas heating occurs due to radiation absorption in the band transparency of hydrogen by the wire vapours with photon energies less than 13.6 eV. At current rate of rise of 1011 A/s gas heating is due to hydrogen absorption of soft X-rays from discharge channel.

Keywords: High-density hydrogen heating by high-current electric arc.

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1441 Effect of Fire Retardant Painting Product on Smoke Optical Density of Burning Natural Wood Samples

Authors: Abdullah N. Olimat, Ahmad S. Awad, Faisal M. AL-Ghathian

Abstract:

Natural wood is used in many applications in Jordan such as furniture, partitions constructions, and cupboards. Experimental work for smoke produced by the combustion of certain wood samples was studied. Smoke generated from burning of natural wood, is considered as a major cause of death in furniture fires. The critical parameter for life safety in fires is the available time for escape, so the visual obscuration due to smoke release during fire is taken into consideration. The effect of smoke, produced by burning of wood, depends on the amount of smoke released in case of fire. The amount of smoke production, apparently, affects the time available for the occupants to escape. To achieve the protection of life of building occupants during fire growth, fire retardant painting products are tested. The tested samples of natural wood include Beech, Ash, Beech Pine, and white Beech Pine. A smoke density chamber manufactured by fire testing technology has been used to perform measurement of smoke properties. The procedure of test was carried out according to the ISO-5659. A nonflammable vertical radiant heat flux of 25 kW/m2 is exposed to the wood samples in a horizontal orientation. The main objective of the current study is to carry out the experimental tests for samples of natural woods to evaluate the capability to escape in case of fire and the fire safety requirements. Specific optical density, transmittance, thermal conductivity, and mass loss are main measured parameters. Also, comparisons between samples with paint and with no paint are carried out between the selected samples of woods.

Keywords: Optical density, specific optical density, transmittance, visibility.

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1440 The Analysis of Photoconductive Semiconductor Switch Operation in the Frequency of 10 GHz

Authors: Morteza Fathipour, Seyed Nasrolah Anousheh, Kaveh Ghiafeh Davoudi, Vala Fathipour

Abstract:

A device analysis of the photoconductive semiconductor switch is carried out to investigate distribution of electric field and carrier concentrations as well as the current density distribution. The operation of this device was then investigated as a switch operating in X band. It is shown that despite the presence of symmetry geometry, switch current density of the on-state steady state mode is distributed asymmetrically throughout the device.

Keywords: Band X, Gallium-Arsenide, Mixed mode, PCSS, Photoconductivity.

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1439 Native Point Defects in ZnO

Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

Abstract:

Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, Native, n-Type, ZnO.

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1438 Evaluation of the Degree of the Sufficiency of Public Green Spaces as an Indicator of Urban Density in the Chubu Metropolitan Area in Japan

Authors: Kayoko Yamamoto

Abstract:

This study uses GIS (Geographic Information Systems) to conduct an evaluation of the degree of the sufficiency of public green spaces such as parks and urban green areas as an indicator of the density of metropolitan areas, in particular the Chubu metropolitan area, in Japan. To that end, it first grasps the distribution situation of green spaces in the three metropolitan areas in Japan, especially in the Chubu metropolitan area, using GIS digital maps. And based on this result, it conducts a GIS evaluation of the degree of sufficiency of public green spaces and arranges the result for every distance belt from the central part to compare and exam for every distance belt away from the center in the Chubu metropolitan area. Furthermore, after pointing out the insufficient areas of public green spaces based on the result, it also proposes the improvement policy which can be introduced in the Chubu metropolitan area.

Keywords: Public Green Spaces, Urban Density, MetropolitanAreas, Land Use, Urbanization, GIS (Geographic InformationSystems)

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1437 Volume Density of Power of Multivector Electric Machine

Authors: Aldan A. Sapargaliyev, Yerbol A. Sapargaliyev

Abstract:

Since the invention, the electric machine (EM) can be defined as oEM – one-vector electric machine, as it works due to one-vector inductive coupling with use of one-vector electromagnet. The disadvantages of oEM are large size and limited efficiency at low and medium power applications. This paper describes multi-vector electric machine (mEM) based on multi-vector inductive coupling, which is characterized by the increased surface area of ​​the inductive coupling per EM volume, with a reduced share of inefficient and energy-consuming part of the winding, in comparison with oEM’s. Particularly, it is considered, calculated and compared the performance of three different electrical motors and their power at the same volumes and rotor frequencies. It is also presented the result of calculation of correlation between power density and volume for oEM and mEM. The method of multi-vector inductive coupling enables mEM to possess 1.5-4.0 greater density of power per volume and significantly higher efficiency, in comparison with today’s oEM, especially in low and medium power applications. mEM has distinct advantages, when used in transport vehicles such as electric cars and aircrafts.

Keywords: Electric machine, electric motor, electromagnet, efficiency of electric motor.

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1436 Scatterer Density in Nonlinear Diffusion for Speckle Reduction in Ultrasound Imaging: The Isotropic Case

Authors: Ahmed Badawi

Abstract:

This paper proposes a method for speckle reduction in medical ultrasound imaging while preserving the edges with the added advantages of adaptive noise filtering and speed. A nonlinear image diffusion method that incorporates local image parameter, namely, scatterer density in addition to gradient, to weight the nonlinear diffusion process, is proposed. The method was tested for the isotropic case with a contrast detail phantom and varieties of clinical ultrasound images, and then compared to linear and some other diffusion enhancement methods. Different diffusion parameters were tested and tuned to best reduce speckle noise and preserve edges. The method showed superior performance measured both quantitatively and qualitatively when incorporating scatterer density into the diffusivity function. The proposed filter can be used as a preprocessing step for ultrasound image enhancement before applying automatic segmentation, automatic volumetric calculations, or 3D ultrasound volume rendering.

Keywords: Ultrasound imaging, Nonlinear isotropic diffusion, Speckle noise, Scattering.

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1435 Influences of Si and C- Doping on the Al-27 and N-14 Quardrupole Coupling Constants in AlN Nanotubes: A DFT Study

Authors: A.Seif, H.Aghaie, K.Majlesi

Abstract:

A computational study at the level density functional theory (DFT) was carried out to investigate the influences of Si and C-doping on the 14N and 27Al quadrupole coupling constant in the (10, 0) zigzag single ? walled Aluminum-Nitride nanotube (AlNNT). To this aim, a 1.16nm, length of AlNNT consisting of 40 Al atoms and 40 N atoms were selected where the end atoms are capped by hydrogen atom. To follow the purpose, three Si atoms and three C atoms were doped instead of three Al atoms and three N atoms as a central ring in the surface of the Si and C-doped AlNNT. At first both of systems optimized at the level of BLYP method and 6-31G (d) basis set and after that, the NQR parameters were calculated at the level BLYP method and 6-311+G** basis set in two optimized forms. The calculate CQ values for both optimized AlNNT systems, raw and Si and C-doped, reveal different electronic environments in the mentioned systems. It was also demonstrated that the end nuclei have the largest CQ values in both considered AlNNT systems. All the calculations were carried out using Gaussian 98 package of program.

Keywords: DFT, Quadrupole Coupling Constant, Si and CDoping, Single-Walled AlN nanotubes.

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1434 Bridging the Mental Gap between Convolution Approach and Compartmental Modeling in Functional Imaging: Typical Embedding of an Open Two-Compartment Model into the Systems Theory Approach of Indicator Dilution Theory

Authors: Gesine Hellwig

Abstract:

Functional imaging procedures for the non-invasive assessment of tissue microcirculation are highly requested, but require a mathematical approach describing the trans- and intercapillary passage of tracer particles. Up to now, two theoretical, for the moment different concepts have been established for tracer kinetic modeling of contrast agent transport in tissues: pharmacokinetic compartment models, which are usually written as coupled differential equations, and the indicator dilution theory, which can be generalized in accordance with the theory of lineartime- invariant (LTI) systems by using a convolution approach. Based on mathematical considerations, it can be shown that also in the case of an open two-compartment model well-known from functional imaging, the concentration-time course in tissue is given by a convolution, which allows a separation of the arterial input function from a system function being the impulse response function, summarizing the available information on tissue microcirculation. Due to this reason, it is possible to integrate the open two-compartment model into the system-theoretic concept of indicator dilution theory (IDT) and thus results known from IDT remain valid for the compartment approach. According to the long number of applications of compartmental analysis, even for a more general context similar solutions of the so-called forward problem can already be found in the extensively available appropriate literature of the seventies and early eighties. Nevertheless, to this day, within the field of biomedical imaging – not from the mathematical point of view – there seems to be a trench between both approaches, which the author would like to get over by exemplary analysis of the well-known model.

Keywords: Functional imaging, Tracer kinetic modeling, LTIsystem, Indicator dilution theory / convolution approach, Two-Compartment model.

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1433 Design of a Grid for Preparation of high Density Granules from Dispersed Materials

Authors: Bogdan Il. Bogdanov, Dimitar R.Rusev, Yancho H. Hristov, Irena G. Markovska, Dimitar P.Georgiev

Abstract:

New design of a grid for preparation of high density granules with enhanced mechanical strength by granulation of dispersed materials is suggested. A method for hydrodynamic dimensioning of the grid depending on granulation conditions, hydrodynamic regime of the operation, dispersity and physicochemical characteristics of the materials to be granulated was suggested. The aim of the grid design is to solve the problems arising by the granulation of disperse materials.

Keywords: fluidized bed reactor, granulation, porous silicatematerials.

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