Search results for: Thermal Measurements
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2104

Search results for: Thermal Measurements

1114 Microwave Absorption Properties of Low Density Polyethelene-Cobalt Ferrite Nanocomposite

Authors: R. Fazaeli, R. Eslami-Farsani, H. Targhagh

Abstract:

Low density polyethylene (LDPE) nanocomposites with 3, 5 and 7 wt. % cobalt ferrite (CoFe2O4) nanopowder fabricated with extrusion mixing and followed up by hot press to reach compact samples. The transmission/reflection measurements were carried out with a network analyzer in the frequency range of 8-12 GHz. By increasing the percent of CoFe2O4 nanopowder, reflection loss (S11) increases, while transferring loss (S21) decreases. Reflectivity (R) calculations made using S11 and S21. Increase in percent of CoFe2O4 nanopowder up to 7 wt. % in composite leaded to higher reflectivity amount, and revealed that increasing the percent of CoFe2O4 nanopowder up to 7 wt. % leads to further microwave absorption in 8-12 GHz range.

Keywords: Nanocomposite, Cobalt Ferrite, Low Density Polyethylene, Microwave Absorption.

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1113 Computer-Assisted Management of Building Climate and Microgrid with Model Predictive Control

Authors: Vinko Lešić, Mario Vašak, Anita Martinčević, Marko Gulin, Antonio Starčić, Hrvoje Novak

Abstract:

With 40% of total world energy consumption, building systems are developing into technically complex large energy consumers suitable for application of sophisticated power management approaches to largely increase the energy efficiency and even make them active energy market participants. Centralized control system of building heating and cooling managed by economically-optimal model predictive control shows promising results with estimated 30% of energy efficiency increase. The research is focused on implementation of such a method on a case study performed on two floors of our faculty building with corresponding sensors wireless data acquisition, remote heating/cooling units and central climate controller. Building walls are mathematically modeled with corresponding material types, surface shapes and sizes. Models are then exploited to predict thermal characteristics and changes in different building zones. Exterior influences such as environmental conditions and weather forecast, people behavior and comfort demands are all taken into account for deriving price-optimal climate control. Finally, a DC microgrid with photovoltaics, wind turbine, supercapacitor, batteries and fuel cell stacks is added to make the building a unit capable of active participation in a price-varying energy market. Computational burden of applying model predictive control on such a complex system is relaxed through a hierarchical decomposition of the microgrid and climate control, where the former is designed as higher hierarchical level with pre-calculated price-optimal power flows control, and latter is designed as lower level control responsible to ensure thermal comfort and exploit the optimal supply conditions enabled by microgrid energy flows management. Such an approach is expected to enable the inclusion of more complex building subsystems into consideration in order to further increase the energy efficiency.

Keywords: Energy-efficient buildings, Hierarchical model predictive control, Microgrid power flow optimization, Price-optimal building climate control.

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1112 Simulation Studies on Concentrating Type Solar Cookers

Authors: V. K. Krishnan, T. Balusamy

Abstract:

A solar dish collector has been designed, fabricated and tested for its performance on 10-03-2015 in Salem, Tamilnadu, India. The experiments on cooking vessels of coated and un-coated with 5 Liters capacity have been used for cooking Rice. The results are shown in graphs. The solar cooker is always capable of cooking food within the expected length of time and based on the solar radiation levels. With minimum cooking power, the coated pressure cooker of 5 Liters capacity cooks the food at faster manner. This is due to the conductivity of the coating material provided in the cooker.

Keywords: Solar cooker, solar concentrator type, thermal performance, simulation.

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1111 Analyzing and Comparing the Architectural Specifications and the Urban Role of Scientific– Technological Parks in Iran and the World

Authors: Shahryar Shaghaghi G., Mojtaba H. Ghoshouni, Bahareh S. Ghabel

Abstract:

The issue of scientific – technological parks has been proposed in several countries of the world especially in western countries since a few decades ago and its efficiency is under examination. In our county Iran, some scientific – technological parks have been established or are being established. This design would evaluate the urban role and method of architecture of these parks in order to criticize its efficiency and offer some suggestions, as much as possible to improve its building methods in Iran. The main problem of this design is that how much these parks in Iran do meet the international measurements. So for this reason, one scientific park in Iran and one from western countries would be studied and compared with each other.

Keywords: Applicability, Architectural pattern, Scientific _technological park , Urban role

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1110 PIV Investigation into the Evolution of Vortical Structures in the Zero Pressure Gradient Boundary Layer

Authors: Ishtiaq A. Chaudhry, Zia R. Tahir

Abstract:

Experimental investigation has been carried out towards understanding the complex fluid dynamics involved in the interaction of vortical structures with zero pressure gradient boundary layer. A laminar boundary layer is produced on the flat plate placed in the water flume and the synthetic jet actuator is deployed on top of the plate at a definite distance from the leading edge. The synthetic jet actuator has been designed in such a way that the to and fro motion of the diaphragm is maneuvered at will by varying the operating parameters to produce the typical streamwise vortical structures namely hairpin and tilted vortices. PIV measurements are made on the streamwise plane normal to the plate to evaluate their interaction with the near wall fluid.

Keywords: Boundary layer, synthetic jet actuator, flow separation control, vortical structures.

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1109 Raman Scattering and PL Studies on AlGaN/GaN HEMT Layers on 200 mm Si(111)

Authors: W. Z. Wang, S. Todd, S. B. Dolmanan, K. B. Lee, L. Yuan, H. F. Sun, S. L. Selvaraj, M.Krishnakumar, G. Q. Lo, S. Tripathy

Abstract:

The crystalline quality of the AlGaN/GaN high electron mobility transistor (HEMT) structure grown on a 200 mm silicon substrate has been investigated using UV-visible micro- Raman scattering and photoluminescence (PL). The visible Raman scattering probes the whole nitride stack with the Si substrate and shows the presence of a small component of residual in-plane stress in the thick GaN buffer resulting from a wafer bowing, while the UV micro-Raman indicates a tensile interfacial stress induced at the top GaN/AlGaN/AlN layers. PL shows a good crystal quality GaN channel where the yellow band intensity is very low compared to that of the near-band-edge transition. The uniformity of this sample is shown by measurements from several points across the epiwafer.

Keywords: Raman, photo luminescence, AlGaN/GaN, HEMT.

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1108 Using Molecular Dynamics to Assess Mechanical Properties of PAN-Based Carbon Fibers Comprising Imperfect Crystals with Amorphous Structures

Authors: A. Ito, S. Okamoto

Abstract:

We constructed an atomic structure model for a PAN-based carbon fiber containing amorphous structures using molecular dynamics methods. It was found that basic physical properties such as crystallinity, Young’s modulus, and thermal conductivity of our model were nearly identical to those of real carbon fibers. We then obtained the tensile strength of a carbon fiber, which has no macro defects. We finally determined that the limitation of the tensile strength was 19 GPa.

Keywords: Amorphous, carbon fiber, molecular dynamics, tensile strength.

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1107 A Novel Method for Areal Surface Roughness Measurement

Authors: Romuald Synak, Wlodzimierz Lipinski, Marcin Pawelczak

Abstract:

An area-integrating method that uses the technique of total integrated light scatter for evaluating the root mean square height of the surface Sq has been presented in the paper. It is based on the measurement of the scatter power using a flat photodiode integrator rather than an optical sphere or a hemisphere. By this means, one can obtain much less expensive and smaller instruments than traditional ones. Thanks to this, they could find their application for surface control purposes, particularly in small and medium size enterprises. A description of the functioning of the measuring unit as well as the impact caused by different factors on its properties is presented first. Next, results of measurements of the Sq values performed for optical, silicon and metal samples have been shown. It has been also proven that they are in a good agreement with the results obtained using the Ulbricht sphere instrument.

Keywords: ISO 25178 Standard, scatterometry, surface metrology, surface roughness

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1106 Solving the Economic Dispatch Problem by Using Differential Evolution

Authors: S. Khamsawang, S. Jiriwibhakorn

Abstract:

This paper proposes an application of the differential evolution (DE) algorithm for solving the economic dispatch problem (ED). Furthermore, the regenerating population procedure added to the conventional DE in order to improve escaping the local minimum solution. To test performance of DE algorithm, three thermal generating units with valve-point loading effects is used for testing. Moreover, investigating the DE parameters is presented. The simulation results show that the DE algorithm, which had been adjusted parameters, is better convergent time than other optimization methods.

Keywords: Differential evolution, Economic dispatch problem, Valve-point loading effect, Optimization method.

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1105 Metal-Dielectric Antireflection Coating on Metallic Substrate for Solar Selective Absorbers of Concentrating Solar Power Systems

Authors: Chien-Cheng Kuo

Abstract:

We design and discuss metal-dielectric antireflection coating on metallic substrates for Solar Selective Absorbers of Concentrating Solar Power Systems. The average reflectance is 8.5% at 400-3000nm and 84.4% at 3000nm-10000nm of the metal-dielectric structure.

Keywords: Concentrating solar power systems, solar thermal, solar selective absorber, absorptance, emittance.

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1104 Modeling of Dielectric Heating in Radio- Frequency Applicator Optimized for Uniform Temperature by Means of Genetic Algorithms

Authors: Camelia Petrescu, Lavinia Ferariu

Abstract:

The paper presents an optimization study based on genetic algorithms (GA-s) for a radio-frequency applicator used in heating dielectric band products. The weakly coupled electro-thermal problem is analyzed using 2D-FEM. The design variables in the optimization process are: the voltage of a supplementary “guard" electrode and six geometric parameters of the applicator. Two objective functions are used: temperature uniformity and total active power absorbed by the dielectric. Both mono-objective and multiobjective formulations are implemented in GA optimization.

Keywords: Dielectric heating, genetic algorithms, optimization, RF applicators.

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1103 The Influence of Heat Treatment on Antimicrobial Proteins in Milk

Authors: Jelena Zagorska, Inga Ciprovica

Abstract:

the obligatory step during immunoglobulin and lysozyme concentration process is thermal treatment. The combination of temperature and time used in processing can affect the structure of the proteins and involve unfolding and aggregation. The aim of the present study was to evaluate the heat stability of total Igs, the particular immunoglobulin classes and lysozyme in milk. Milk samples were obtained from conventional dairy herd in Latvia. Raw milk samples were pasteurized in different regimes: 63 °C 30 min, 72 °C 15-20 s, 78 °C 15-20 s, 85 °C 15-20 s, 95 °C 15-20 s. The concentrations of Igs (IgA, IgG, IgM) and lysozyme were determined by turbodimetric method. During research was established, that activity of antimicrobial proteins decreases differently. Less concentration reduce was established in a case of lysozyme.

Keywords: immunoglobulins, lysozyme, milk, pasteurization

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1102 Measurements of Radial Velocity in Fixed Fluidized Bed for Fischer-Tropsch Synthesis Using LDV

Authors: Xiaolai Zhang, Haitao Zhang, Qiwen Sun, Weixin Qian, Weiyong Ying

Abstract:

High temperature Fischer-Tropsch synthesis process use fixed fluidized bed as a reactor. In order to understand the flow behavior in the fluidized bed better, the research of how the radial velocity affects the entire flow field is necessary. Laser Doppler Velocimetry (LDV) was used to study the radial velocity distribution along the diameter direction of the cross-section of the particle in a fixed fluidized bed. The velocity in the cross-section is fluctuating within a small range. The direction of the speed is a random phenomenon. In addition to r/R is 1, the axial velocity are more than 6 times of the radial velocity, the radial velocity has little impact on the axial velocity in a fixed fluidized bed.

Keywords: LDV, fixed fluidized bed, velocity, Fischer-Tropsch synthesis.

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1101 Evaluation of Protein Digestibility in Canola Meals between Caecectomised and Intact Adult Cockerels

Authors: Ali Nouri Emamzadeh, Akbar Yaghobfar

Abstract:

The experiment was conducted to evaluate digestibility quantities of protein in Canola Meals (CMs) between caecectomised and intact adult Rhode Island Red (RIR) cockerels with using conventional addition method (CAM) for 7 d: a 4-d adaptation and a 3-d experiment period on the basis of a completely randomized design with 4 replicates. Results indicated that caecectomy decreased (P<0.05) apparent and true digestibility quantities of protein for CMs, except for CMs 2 and 3. The mean apparent and true digestibility quantities for all CMs in caecectomised (80.5 and 81.4%, respectively) were (3.1 and 3.3%, respectively) less (P<0.05) than intact cockerels (83.6 and 84.7%, respectively). Therefore, the caecectomy method increases accuracy of the digestibility measurements of protein for this meal in bioassays based on excreta collection in adult cockerels.

Keywords: Adult cockerels, caecectomy, canola meals, proteindigestibility.

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1100 A Genetic-Neural-Network Modeling Approach for Self-Heating in GaN High Electron Mobility Transistors

Authors: Anwar Jarndal

Abstract:

In this paper, a genetic-neural-network (GNN) based large-signal model for GaN HEMTs is presented along with its parameters extraction procedure. The model is easy to construct and implement in CAD software and requires only DC and S-parameter measurements. An improved decomposition technique is used to model self-heating effect. Two GNN models are constructed to simulate isothermal drain current and power dissipation, respectively. The two model are then composed to simulate the drain current. The modeling procedure was applied to a packaged GaN-on-Si HEMT and the developed model is validated by comparing its large-signal simulation with measured data. A very good agreement between the simulation and measurement is obtained.

Keywords: GaN HEMT, computer-aided design & modeling, neural networks, genetic optimization.

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1099 The Influence of Voltage Flicker for the Wind Generator upon Distribution System

Authors: Jin-Lung Guan, Jyh-Cherng Gu, Ming-Ta Yang, Hsin-Hung Chang, Chun-Wei Huang, Shao-Yu Huang

Abstract:

One of the most important power quality issues is voltage flicker. Nowadays this issue also impacts the power system all over the world. The fact of the matter is that the more and the larger capacity of wind generator has been installed. Under unstable wind power situation, the variation of output current and voltage have caused trouble to voltage flicker. Hence, the major purpose of this study is to analyze the impact of wind generator on voltage flicker of power system. First of all, digital simulation and analysis are carried out based on wind generator operating under various system short circuit capacity, impedance angle, loading, and power factor of load. The simulation results have been confirmed by field measurements.

Keywords: Wind Generator, Voltage Flicker

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1098 Optical Analysis of Variable Aperture Mechanism for a Solar Reactor

Authors: Akanksha Menon, Nesrin Ozalp

Abstract:

Solar energy is not only sustainable but also a clean alternative to be used as source of high temperature heat for many processes and power generation. However, the major drawback of solar energy is its transient nature. Especially in solar thermochemical processing, it is crucial to maintain constant or semiconstant temperatures inside the solar reactor. In our laboratory, we have developed a mechanism allowing us to achieve semi-constant temperature inside the solar reactor. In this paper, we introduce the concept along with some updated designs and provide the optical analysis of the concept under various incoming flux.

Keywords: Aperture, Solar reactor, Optical analysis, Solar thermal

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1097 The Study of Synbiotic Dairy Products Rheological Properties during Shelf-Life

Authors: Ilze Beitane, Inga Ciprovica

Abstract:

The influence of lactulose and inulin on rheological properties of fermented milk during storage was studied.Pasteurized milk, freeze-dried starter culture Bb-12 (Bifidobacterium lactis, Chr. Hansen, Denmark), inulin – RAFTILINE®HP (ORAFI, Belgium) and syrup of lactulose (Duphalac®, the Netherlands) were used for experiments. The fermentation process was realized at 37 oC for 16 hours and the storage of products was provided at 4 oC for 7 days. Measurements were carried out by BROOKFIELD standard methods and the flow curves were described by Herschel-Bulkley model. The results of dispersion analysis have shown that both the concentration of prebiotics (p=0.04<0.05) and shelf life (p=0.003<0.05) have a significant influence on the apparent viscosity of the product.

Keywords: Apparent viscosity, B.lactis, consistency coefficient, flow behavior index, prebiotics.

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1096 The Interaction between Hydrogen and Surface Stress in Stainless Steel

Authors: O. Takakuwa, Y. Mano, H. Soyama

Abstract:

This paper reveals the interaction between hydrogen and surface stress in austenitic stainless steel by X-ray diffraction stress measurement and thermal desorption analysis before and after being charged with hydrogen. The surface residual stress was varied by surface finishing using several disc polishing agents. The obtained results show that the residual stress near surface had a significant effect on hydrogen absorption behavior, that is, tensile residual stress promoted the hydrogen absorption and compressive one did opposite. Also, hydrogen induced equi-biaxial stress and this stress has a linear correlation with hydrogen content.

Keywords: Hydrogen embrittlement, Residual stress, Surface finishing, Stainless steel.

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1095 Wheel Diameter and Width Influence in Variability of Brake Data Measurement at Ministry of Transport Facilities

Authors: Carolina Senabre, Sergio Valero, Emilio Velasco

Abstract:

The brake systems of vehicles are tested periodically by a “brake tester” at Ministry of Transport (MOT) stations. This tester measures the effectiveness of vehicle. This parameter is established by the International Committee of Vehicle Inspection (CITA). In this paper, we present an investigation of the influence of the tire size on the measurements of brake force on three MOT brake testers. We performed an analysis of the vehicle braking capacity test at MOT stations. The influence of varying wheel diameter and width on the measurement of braking at MOT stations has been analyzed. Thereby, the MOT brake tester as a verification system for a vehicle has been evaluated.

Keywords: Brake tester, wheel diameter, Ministry of transport facilities.

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1094 Energy Efficiency and Renewable for Power System in Macedonia

Authors: Tomislav Stambolic, Anton Causevski

Abstract:

The deficit of power supply in Macedonia is almost 30% or reached up to 3000 GWh in a year. The existing thermal and hydro power plants are not enough to cover the power and energy, so the import increases every year. Therefore, in order to have more domestic energy supply, the new trends in renewable and energy efficiency should be implemented in power sector. The paper gives some perspectives for development of the power system in Macedonia, taking into account the growth of electricity demand and in the same time with implementation of renewable and energy efficiency. The development of power system is made for the period up to 2030 with the period of every 5 years.

Keywords: Energy, Power System, Renewable, Efficiency

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1093 Organic Contribution on Particles Formed on Pacific Ocean: From Phytoplankton Blooms to Climate

Authors: Petri Vaattovaara, Luke Cravigan, Zoran Ristovski, Marc Mallet, Ari Laaksonen, Sarah Lawson, Nick Talbot, Gustavo Olivares, Mike Harvey, Cliff Law

Abstract:

These SOAP project Pacific Ocean measurements reveal that phytoplankton blooms with sunny conditions make possible secondary organic contribution to ultrafine particles size and composition, and thus on cloud formation ability, and finally on climate. This is in agreement with other biologically active region observations about the presence of secondary organics even the exact fraction is also depending on the local marine life (e.g. plankton blooms, seaweeds, corals). An organic contribution is clearly needed to add to CLAW hypothesis.

Keywords: Climate, marine aerosols, phytoplankton, secondary organics, CLAW hypothesis.

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1092 Application of Scanning Electron Microscopy and X-Ray Evaluation of the Main Digestion Methods for Determination of Macroelements in Plant Tissue

Authors: Krasimir I. Ivanov, Penka S. Zapryanova, Stefan V. Krustev, Violina R. Angelova

Abstract:

Three commonly used digestion methods (dry ashing, acid digestion, and microwave digestion) in different variants were compared for digestion of tobacco leaves. Three main macroelements (K, Ca and Mg) were analysed using AAS Spectrometer Spectra АА 220, Varian, Australia. The accuracy and precision of the measurements were evaluated by using Polish reference material CTR-VTL-2 (Virginia tobacco leaves). To elucidate the problems with elemental recovery X-Ray and SEM–EDS analysis of all residues after digestion were performed. The X-ray investigation showed a formation of KClO4 when HClO4 was used as a part of the acids mixture. The use of HF at Ca and Mg determination led to the formation of CaF2 and MgF2. The results were confirmed by energy dispersive X-ray microanalysis. SPSS program for Windows was used for statistical data processing.

Keywords: Digestion methods, determination of macroelements, plant tissue.

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1091 The Effect of Chemical Treatment on TL Glow Curves of CdS/ZnS Thin Films Deposited by Vacuum Deposition Method

Authors: N. Dahbi, D-E. Arafah

Abstract:

The effect of chemical treatment in CdCl2 and thermal annealing in 400°C, on the defect structures of potentially useful ZnS\CdS solar cell thin films deposited onto quartz substrate and prepared by vacuum deposition method was studied using the Thermoluminesence (TL) techniques. A series of electron and hole traps are found in the various deposited samples studied. After annealing, however, it was observed that the intensity and activation energy of TL signal increases with loss of the low temperature electron traps.

Keywords: CdS, chemical treatment, heat treatment, Thermoluminescence, trapping parameters, thin film, vacuumdeposition, ZnS

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1090 A Novel Metric for Performance Evaluation of Image Fusion Algorithms

Authors: Nedeljko Cvejic, Artur Łoza, David Bull, Nishan Canagarajah

Abstract:

In this paper, we present a novel objective nonreference performance assessment algorithm for image fusion. It takes into account local measurements to estimate how well the important information in the source images is represented by the fused image. The metric is based on the Universal Image Quality Index and uses the similarity between blocks of pixels in the input images and the fused image as the weighting factors for the metrics. Experimental results confirm that the values of the proposed metrics correlate well with the subjective quality of the fused images, giving a significant improvement over standard measures based on mean squared error and mutual information.

Keywords: Fusion performance measures, image fusion, non-reference quality measures, objective quality measures.

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1089 Research of Concentratibility of Low Quality Bauxite Raw Materials

Authors: Nadezhda Nikolaeva, Tatyana Alexandrova, Alexandr Alexandrov

Abstract:

Processing of high-silicon bauxite on the base of the traditional clinkering method is related to high power consumption and capital investments, which makes production of alumina from those ores non-competitive in terms of basic economic showings. For these reasons, development of technological solutions enabling to process bauxites with various chemical and mineralogical structures efficiently with low level of thermal power consumption is important. Flow sheet of the studies on washability of ores from the Timanskoe and the Severo-Onezhskoe deposits is on the base of the flotation method.

Keywords: Low-quality bauxite, resource-saving technology, optimization, aluminum, conditioning of composition, separation characteristics.

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1088 Efficiency Evaluation of E-Commerce Websites

Authors: A. K. Abd El-Aleem, W. F. Abd El-wahed, N. A. Ismail, F. A. Torkey

Abstract:

This study suggests a model of a new set of evaluation criteria that will be used to measure the efficiency of real-world E-commerce websites. Evaluation criteria include design, usability and performance for websites, the Data Envelopment Analysis (DEA) technique has been used to measure the websites efficiency. An efficient Web site is defined as a site that generates the most outputs, using the smallest amount of inputs. Inputs refer to measurements representing the amount of effort required to build, maintain and perform the site. Output is amount of traffic the site generates. These outputs are measured as the average number of daily hits and the average number of daily unique visitors.

Keywords: Data Envelopment Analysis, E-commerce, Efficiency.

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1087 Influence of Boron Doping and Thermal Treatment on Internal Friction of Monocrystalline Si1-xGex(x≤0,02) Alloys

Authors: I. Kurashvili, G. Darsavelidze, G. Bokuchava, A. Sichinava, I. Tabatadze

Abstract:

The impact of boron doping on the internal friction (IF) and shear modulus temperature spectra of Si1-xGex(x≤0,02) monocrsytals has been investigated by reverse torsional pendulum oscillations characteristics testing. At room temperatures, microhardness and indentation modulus of the same specimens have been measured by dynamic ultra microhardness tester. It is shown that boron doping causes two kinds effect: At low boron concentration (~1015 cm-3) significant strengthening is revealed, while at the high boron concentration (~1019 cm-3) strengthening effect and activation characteristics of relaxation origin IF processes are reduced.

Keywords: Dislocation, internal friction, microhardness, relaxation.

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1086 Influence of Turbulence Model, Grid Resolution and Free-Stream Turbulence Intensity on the Numerical Simulation of the Flow Field around an Inclined Flat Plate

Authors: M. Raciti Castelli, P. Cioppa, E. Benini

Abstract:

The flow field around a flat plate of infinite span has been investigated for several values of the angle of attack. Numerical predictions have been compared to experimental measurements, in order to examine the effect of turbulence model and grid resolution on the resultant aerodynamic forces acting on the plate. Also the influence of the free-stream turbulence intensity, at the entrance of the computational domain, has been investigated. A full campaign of simulations has been conducted for three inclination angles (9°, 15° and 30°), in order to obtain some practical guidelines to be used for the simulation of the flow field around inclined plates and discs.

Keywords: CFD, lift, drag, flat plate

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1085 Pressure Study on Mn Doped KDP System under Hydrostatic Pressure

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

Abstract:

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

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

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