Search results for: electronic transport properties
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 11569

Search results for: electronic transport properties

11509 The Study of Magnetic and Transport Properties in Normal State Eu1.85+yCe0.15-yCu1-yFeyO4+α-δ

Authors: Risdiana, D. Suhendar, S. Pratiwi, W. A. Somantri, T. Saragi

Abstract:

Superconductor is a promising material for future applications especially for energy saving because of their advantages properties such as zero electrical resistivity when they are cooled down to sufficiently low temperatures. However, the mechanism describing the role of physical properties in superconductor is far from being understood clearly, so that the application of this material for wider benefit in various industries is very limited. Most of superconductors are cuprate compounds, which has CuO2 as a conducting plane in their crystal structures. The study of physical properties through the partially substitution of impurity for Cu in superconducting cuprates has been one of great interests in relation to the mechanism of superconductivity. Different behaviors between the substitution of nonmagnetic impurity and magnetic impurity for Cu are observed. For examples, the superconductivity and Cu-spin fluctuations in the electron-doped system are suppressed through the substitution of magnetic Ni for Cu more markedly than through the substitution of nonmagnetic Zn for Cu, which is contrary to the result in the hole-doped system. Here, we reported the effect of partially substitution of magnetic impurity Fe for Cu to the magnetic and transport properties in electron-doped superconducting cuprates of Eu1.85+yCe0.15-yCu1-yFeyO4+α-δ (ECCFO) with y = 0.01, 0.02, and 0.05, in order to investigate the mechanism of magnetic and transport properties of ECCFO in normal-state. Magnetic properties are investigated by DC magnetic-susceptibility measurements that carried out at low temperatures down to 2 K using a standard SQUID magnetometer in a magnetic field of 5 Oe on field cooling. Transport properties addressed to electron mobility, are extracted from radius of electron localization calculated from temperature dependence of resistivity. For y = 0, temperature dependence of dc magnetic-susceptibility indicated the change of magnetic behavior from paramagnetic to diamagnetic below 15 K. Above 15 K, all samples show paramagnetic behavior with the values of magnetic moment in every volume unit increased with increasing y. Electron mobility decreased with increasing y. Some reasons for these results will be discussed.

Keywords: DC magnetic-susceptibility, electron mobility, Eu1.85+yCe0.15-yCu1-yFeyO4+α-δ, normal state

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11508 Bismuth Telluride Topological Insulator: Physical Vapor Transport vs Molecular Beam Epitaxy

Authors: Omar Concepcion, Osvaldo De Melo, Arturo Escobosa

Abstract:

Topological insulator (TI) materials are insulating in the bulk and conducting in the surface. The unique electronic properties associated with these surface states make them strong candidates for exploring innovative quantum phenomena and as practical applications for quantum computing, spintronic and nanodevices. Many materials, including Bi₂Te₃, have been proposed as TIs and, in some cases, it has been demonstrated experimentally by angle-resolved photoemission spectroscopy (ARPES), scanning tunneling spectroscopy (STM) and/or magnetotransport measurements. A clean surface is necessary in order to make any of this measurements. Several techniques have been used to produce films and different kinds of nanostructures. Growth and characterization in situ is usually the best option although cleaving the films can be an alternative to have a suitable surface. In the present work, we report a comparison of Bi₂Te₃ grown by physical vapor transport (PVT) and molecular beam epitaxy (MBE). The samples were characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and ARPES. The Bi₂Te₃ samples grown by PVT, were cleaved in the ultra-high vacuum in order to obtain a surface free of contaminants. In both cases, the XRD shows a c-axis orientation and the pole diagrams proved the epitaxial relationship between film and substrate. The ARPES image shows the linear dispersion characteristic of the surface states of the TI materials. The samples grown by PVT, a relatively simple and cost-effective technique shows the same high quality and TI properties than the grown by MBE.

Keywords: Bismuth telluride, molecular beam epitaxy, physical vapor transport, topological insulator

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11507 Unsteady Rayleigh-Bénard Convection of Nanoliquids in Enclosures

Authors: P. G. Siddheshwar, B. N. Veena

Abstract:

Rayleigh-B´enard convection of a nanoliquid in shallow, square and tall enclosures is studied using the Khanafer-Vafai-Lightstone single-phase model. The thermophysical properties of water, copper, copper-oxide, alumina, silver and titania at 3000 K under stagnant conditions that are collected from literature are used in calculating thermophysical properties of water-based nanoliquids. Phenomenological laws and mixture theory are used for calculating thermophysical properties. Free-free, rigid-rigid and rigid-free boundary conditions are considered in the study. Intractable Lorenz model for each boundary combination is derived and then reduced to the tractable Ginzburg-Landau model. The amplitude thus obtained is used to quantify the heat transport in terms of Nusselt number. Addition of nanoparticles is shown not to alter the influence of the nature of boundaries on the onset of convection as well as on heat transport. Amongst the three enclosures considered, it is found that tall and shallow enclosures transport maximum and minimum energy respectively. Enhancement of heat transport due to nanoparticles in the three enclosures is found to be in the range 3% - 11%. Comparison of results in the case of rigid-rigid boundaries is made with those of an earlier work and good agreement is found. The study has limitations in the sense that thermophysical properties are calculated by using various quantities modelled for static condition.

Keywords: enclosures, free-free, rigid-rigid, rigid-free boundaries, Ginzburg-Landau model, Lorenz model

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11506 Numerical Modeling and Prediction of Nanoscale Transport Phenomena in Vertically Aligned Carbon Nanotube Catalyst Layers by the Lattice Boltzmann Simulation

Authors: Seungho Shin, Keunwoo Choi, Ali Akbar, Sukkee Um

Abstract:

In this study, the nanoscale transport properties and catalyst utilization of vertically aligned carbon nanotube (VACNT) catalyst layers are computationally predicted by the three-dimensional lattice Boltzmann simulation based on the quasi-random nanostructural model in pursuance of fuel cell catalyst performance improvement. A series of catalyst layers are randomly generated with statistical significance at the 95% confidence level to reflect the heterogeneity of the catalyst layer nanostructures. The nanoscale gas transport phenomena inside the catalyst layers are simulated by the D3Q19 (i.e., three-dimensional, 19 velocities) lattice Boltzmann method, and the corresponding mass transport characteristics are mathematically modeled in terms of structural properties. Considering the nanoscale reactant transport phenomena, a transport-based effective catalyst utilization factor is defined and statistically analyzed to determine the structure-transport influence on catalyst utilization. The tortuosity of the reactant mass transport path of VACNT catalyst layers is directly calculated from the streaklines. Subsequently, the corresponding effective mass diffusion coefficient is statistically predicted by applying the pre-estimated tortuosity factors to the Knudsen diffusion coefficient in the VACNT catalyst layers. The statistical estimation results clearly indicate that the morphological structures of VACNT catalyst layers reduce the tortuosity of reactant mass transport path when compared to conventional catalyst layer and significantly improve consequential effective mass diffusion coefficient of VACNT catalyst layer. Furthermore, catalyst utilization of the VACNT catalyst layer is substantially improved by enhanced mass diffusion and electric current paths despite the relatively poor interconnections of the ion transport paths.

Keywords: Lattice Boltzmann method, nano transport phenomena, polymer electrolyte fuel cells, vertically aligned carbon nanotube

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11505 Machines Hacking Humans: Performances Practices in Electronic Music during the 21st Century

Authors: Zimasa Siyasanga Gysman

Abstract:

This paper assesses the history of electronic music and its performance to illustrate that machines and technology have largely influenced how humans perform electronic music. The history of electronic music mainly focuses on the composition and production of electronic music with little to no attention paid to its performance by the majority of scholars in this field. Therefore, establishing a history of performance involves investigating what compositions of electronic music called for in the production of electronic music performance. This investigation into seminal works in the history of electronic music, therefore, illustrates the aesthetics of electronic music performance and the aesthetics established in the very beginnings of electronic music performance demonstrate the aesthetics of electronic music which are still prevalent today. The key aesthetics are the repurposing of technology and the hybridisation of technology. Performers take familiar technology (technology that society has become accustomed to using in daily life), not necessarily related to music or performance and use it as an instrument in their performances, such as a rotary dial telephone. Likewise, since the beginnings of electronic music, producers have always experimented with the latest technologies available to them in their compositions and performances. The spirit of performers of electronic music, therefore, revolves around repurposing familiar technologies and using them in new ways, whilst similarly experimenting with new technologies in their performances. This process of hybridisation plays a key role in the production and performance of electronic music in the twentieth century. Through various interviews with performers of electronic music, it is shown that these aesthetics are driving performance practices in the twenty-first century.

Keywords: body, hybridisation, performance, sound

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11504 Theoretical Study of Structural and Electronic Properties of Matlockite CaFX (X = I and Br) Compounds

Authors: Meriem Harmel, Houari Khachai

Abstract:

The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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11503 Effect of Sintering Temperature on Transport Properties of Garnet-Type Solid-State Electrolytes for Energy Storage Systems

Authors: U. Farooq, A. Samson, V. Thangadurai, R. Edwards

Abstract:

In recent years, an impressive research has been conducted to introduce the solid-state electrolytes for the future energy storage devices like Li-ion batteries more specifically. In this work we tried to prepare a ceramic electrolyte (Li6.5 La2.5 Ba0.5 Nb Zr O12(LLBNZO)) and sintered the pallets of as-prepared material at elevated temperature like 1050, 1100, 1150 and 1200 °C. The objective to carry out this research was to observe the effect of temperature on porosity, density and transport properties of materials. Preliminary results suggest that the material sintered at higher temperature could show enhanced performance in terms of fast ionic transport. This enhancement in performance can be attributed to low porosity of materials which is result of high temperature sintering.

Keywords: solid state battery, electrolyte, garnet structures, Li-ion battery

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11502 Prediction Study of the Structural, Elastic and Electronic Properties of the Parent and Martensitic Phases of Nonferrous Ti, Zr, and Hf Pure Metals

Authors: Tayeb Chihi, Messaoud Fatmi

Abstract:

We present calculations of the structural, elastic and electronic properties of nonferrous Ti, Zr, and Hf pure metals in both parent and martensite phases in bcc and hcp structures respectively. They are based on the generalized gradient approximation (GGA) within the density functional theory (DFT). The shear modulus, Young's modulus and Poisson's ratio for Ti, Zr, and Hf metals have were calculated and compared with the corresponding experimental values. Using elastic constants obtained from calculations GGA, the bulk modulus along the crystallographic axes of single crystals was calculated. This is in good agreement with experiment for Ti and Zr, whereas the hcp structure for Hf is a prediction. At zero temperature and zero pressure, the bcc crystal structure is found to be mechanically unstable for Ti, Zr, and Hf. In our calculations the hcp structures is correctly found to be stable at the equilibrium volume. In the electronic density of states (DOS), the smaller n(EF) is, the more stable the compound is. Therefore, in agreement with the results obtained from the total energy minimum.

Keywords: Ti, Zr, Hf, pure metals, transformation, energy

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11501 Competitor Analysis to Quantify the Benefits and for Different Use of Transport Infrastructure

Authors: Dimitrios J. Dimitriou, Maria F. Sartzetaki

Abstract:

Different transportation modes have key operational advantages and disadvantages, providing a variety of different transport options to users and passengers. This paper reviews key variables for the competition between air transport and other transport modes. The aim of this paper is to review the competition between air transport and other transport modes, providing results in terms of perceived cost for the users, for destinations high competitiveness for all transport modes. The competitor analysis variables include the cost and time outputs for each transport option, highlighting the level of competitiveness on high demanded Origin-Destination corridors. The case study presents the output of a such analysis for the OD corridor in Greece that connects the Capital city (Athens) with the second largest city (Thessaloniki) and the different transport modes have been considered (air, train, road). Conventional wisdom is to present an easy to handle tool for planners, managers and decision makers towards pricing policy effectiveness and demand attractiveness, appropriate to use for other similar cases.

Keywords: competitor analysis, transport economics, transport generalized cost, quantitative modelling

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11500 A Review of the Fundamental Principles of the National Transport Policy and Developmental Implementation Programmes

Authors: Charles Asenime, Asaju Joel, Fagbenro Abiola, Adetoyese Oguntimehin, Agosu Rebecca

Abstract:

This paper examines the fundamental principles of the National Transport Policy (NTP) and determined its role in the execution of transport projects, and the establishment of ministries, departments, and agencies. Data used for the paper are from secondary sources of commissioned reports, studies, internet sources, and government releases. Results of the analysis show that the draft NTP has been used to establish transport schemes, master plans, and transport infrastructure. The paper concludes that though, the national transport Policy is still in a draft form, its production, however, has shaped the transport system in Nigeria and has shown how transport has improved the economy through the efficient utilisation of resources, improved mobility, and lifestyle.

Keywords: principles, draft, system, resources

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11499 Calculated Structural and Electronic Properties of Mg and Bi

Authors: G. Patricia Abdel Rahim, Jairo Arbey Rodriguez M, María Guadalupe Moreno Armenta

Abstract:

The present study shows the structural, electronic and magnetic properties of magnesium (Mg) and bismuth (Bi) in a supercell (1X1X5). For both materials were studied in five crystalline structures: rock salt (NaCl), cesium chloride (CsCl), zinc-blende (ZB), wurtzite (WZ), and nickel arsenide (NiAs), using the Density Functional Theory (DFT), the Generalized Gradient Approximation (GGA), and the Full Potential Linear Augmented Plane Wave (FP-LAPW) method. By means of fitting the Murnaghan's state equation we determine the lattice constant, the bulk modulus and it's derived with the pressure. Also we calculated the density of states (DOS) and the band structure.

Keywords: bismuth, magnesium, pseudo-potential, supercell

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11498 Investigation of the Stability and Spintronic Properties of NbrhgeX (X= Cr, Co, Mn, Fe, Ni) Using Density Functional Theory

Authors: Shittu Akinpelu, Issac Popoola

Abstract:

The compound NbRhGe has been predicted to be a semiconductor with excellent mechanical properties. It is an indirect band gap material. The potential of NbRhGe for non-volatile data storage via element addition is being studied using the Density Functional Theory (DFT). Preliminary results on the electronic and magnetic properties are suggestive for their application in spintronic.

Keywords: half-metals, Heusler compound, semiconductor, spintronic

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11497 Structural, Electronic and Magnetic Properties of Co and Mn Doped CDTE

Authors: A. Zitouni, S. Bentata, B. Bouadjemi, T. Lantri, W. Benstaali, A. Zoubir, S. Cherid, A. Sefir

Abstract:

The structural, electronic, and magnetic properties of transition metal Co and Mn doped zinc-blende semiconductor CdTe were calculated using the density functional theory (DFT) with both generalized gradient approximation (GGA). We have analyzed the structural parameters, charge and spin densities, total and partial densities of states. We find that the Co and Mn doped zinc blende CdTe show half-metallic behavior with a total magnetic moment of 6.0 and 10.0 µB, respectively.The results obtained, make the Co and Mn doped CdTe a promising candidate for application in spintronics.

Keywords: first-principles, half-metallic, diluted magnetic semiconductor, magnetic moment

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11496 Silicon Surface Treatment Effect on the Structural, Optical, and Optoelectronic Properties for Solar Cell Applications

Authors: Lotfi Hedi Khezami, Mohamed Ben Rabha, N. Sboui, Mounir Gaidi, B. Bessais

Abstract:

Metal-nano particle-assisted Chemical Etching is an extraordinary developed wet etching method of producing uniform semiconductor nano structure (nano wires) from patterned metallic film on crystalline silicon surface. The metal films facilitate the etching in HF and H2O2 solution and produce silicon nanowires (SiNWs). Creation of different SiNWs morphologies by changing the etching time and its effects on optical and opto electronic properties was investigated. Combination effect of formed SiNWs and stain etching treatment in acid (HF/HNO3/H2O) solution on the surface morphology of Si wafers as well as on the optical and opto electronic properties are presented in this paper.

Keywords: stain etching, porous silicon, silicon nanowires, reflectivity, lifetime, solar cells

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11495 Electronic and Optical Properties of Orthorhombic NdMnO3 with the Modified Becke-Johnson Potential

Authors: B. Bouadjemi, S. Bentata, T. Lantri, A. Abbad, W. Benstaali, A. Zitouni, S. Cherid

Abstract:

We investigate the electronic structure, magnetic and optical properties of the orthorhombic NdMnO3 through density-functional-theory (DFT) calculations using both generalized gradient approximation GGA and GGA+U approaches, the exchange and correlation effects are taken into account by an orbital independent modified Becke Johnson (MBJ). The predicted band gaps using the MBJ exchange approximation show a significant improvement over previous theoretical work with the common GGA and GGA+U very closer to the experimental results. Band gap dependent optical parameters like dielectric constant, index of refraction, absorption coefficient, reflectivity and conductivity are calculated and analyzed. We find that when using MBJ we have obtained better results for band gap of NdMnO3 than in the case of GGA and GGA+U. The values of band gap founded in this work by MBJ are in a very good agreement with corresponding experimental values compared to other calculations. This comprehensive theoretical study of the optoelectronic properties predicts that this material can be effectively used in optical devices.

Keywords: DFT, optical properties, absorption coefficient, strong correlation, MBJ, orthorhombic NdMnO3, optoelectronic

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11494 DFT Study of Secondary Phase of Cu2ZnSnS4 in Solar Cell: Cu2SnS3

Authors: Mouna Mesbahi, M. Loutfi Benkhedir

Abstract:

In CZTS films solar cell, the preferable reaction between Cu and sulfur vapor was likely to be induced by out diffusion of the bottom Cu component to the surface; this would lead to inhomogeneous distribution of the Cu component to form the Cu2SnS3 secondary phase and formation of many voids and crevices in the resulting CZTS film; which is also the cause of the decline in performance. In this work we study the electronic and optical properties of Cu2SnS3. For this purpose we used the Wien2k code based on the theory of density functional theory (DFT) with the modified Becke-Johnson exchange potential mBJ and the Hubbard potential individually or combined. We have found an energy gap 0.92 eV. The results are in good agreement with experimental results.

Keywords: Cu2SnS3, DFT, electronic and optical properties, mBJ+U, WIEN2K

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11493 First-Principles Investigation of the Structural and Electronic Properties of Mg1-xBixO

Authors: G. P. Abdel Rahim, M. María Guadalupe Moreno Armenta, Jairo Arbey Rodriguez

Abstract:

We investigated the structure and electronic properties of the compound Mg1-xBixO with varying concentrations of 0, ¼, ½, and ¾ x bismuth in the the NaCl (rock-salt) and WZ (wurtzite) phases. The calculations were performed using the first-principles pseudo-potential method within the framework of spin density functional theory (DFT). Our calculations predict that for Bi concentrations greater than ~70%, the WZ structure is more favorable than the NaCl one and that for x = 0 (pure MgO), x = 0.25 and x = 0.50 of Bi concentration the NaCl structure is more favorable than the WZ one. For x = 0.75 of Bi, a transition from wurtzite towards NaCl is possible, when the pressure is about 22 GPa. Also It has been observed the crystal lattice constant closely follows Vegard’s law, that the bulk modulus and the cohesion energy decrease with the concentration x of Bi.

Keywords: DFT, Mg1-xBixO, pseudo-potential, rock-salt, wurtzite

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11492 Transport Infrastructure and Economic Growth in South Africa

Authors: Abigail Mosetsanagape Mooketsi, Itumeleng Pleasure Mongale, Joel Hinaunye Eita

Abstract:

The aim of this study is to analyse the impact of transport infrastructure on economic growth in South Africa through Engle Granger two step approach using the data from 1970 to 2013. GDP is used as a proxy for economic growth whilst rail transport (rail lines, rail goods transported) and air transport(air passengers carried, air freight) are used as proxies for transport infrastructure. The results showed that there is a positive long-run relationship between transport infrastructure and economic growth. The results show that South Africa’s economic growth can be boosted by providing transport infrastructure. The estimated models were simulated and the results that the model is a good fit. The findings of this research will be beneficial to policy makers, academics and it will also enhance the ability of the investors to make informed decisions about investing in South Africa.

Keywords: transport, infrastructure, economic growth, South Africa

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11491 Recovery of Polymers from Electronic Waste - An Analysis

Authors: Anis A. Ansari, Syed Javed Arif

Abstract:

From the last two-three decades, all countries are continuously generating huge quantities of electronic waste in the form of obsolete computers, gadgets and other discarded electronic instruments mainly due to evolution of newer technologies as a result of constant efforts in research and development in this area. This is the primary reason why waste from the electronic industry is increasing exponentially day by day. Thermoset and thermoplastic polymers, which are the major constituents in every electronic waste, may create a new business opportunity if these are recovered and recycled properly. This may reduce our directly dependency on petroleum and petro-products for polymer materials and also create a potential market for recycled polymers to improve economy. The main theme of this paper is to evolve the potential of recovery and recycling of polymers from the waste being generated globally in the form of discarded electronic products.

Keywords: polymer recovery, electronic waste, petroleum, thermoplastics

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11490 A Framework for Organizational Architecture of Electronic City and Electronic Municipality

Authors: Ali Zeynali Azim, Mostfa Basiry, Samira Kafshi, Elnaz Behnoud

Abstract:

This study provides a framework for enterprise architecture in electronic city is electronic municipality. Nowadays, information technology as an emerging phenomenon has a special place in the world. Development of information and communication technology causes many changes in various fields, including emerging e-cities, municipalities and citizens. However, e-city and e-municipality need essential enterprise architecture. In order to develop enterprise architecture of e-city and e-municipality, enterprise architecture maturity method should be applied. Therefore, one of the most important needs of organizations is to choose important activities according to limitations. The studies show that there is a close relationship between IT, enterprise architecture, e-city and e-municipality. This study aimed to clarify the concept of IT, enterprise architecture, electronic city and e-municipality and how they are related to each other. Is the existence of each of IT, enterprise architecture, electronic and electronic municipal requires each other?

Keywords: enterprise architecture, e-city, e-municipality, e-government, e-citizen, service-oriented architecture

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11489 CFD Analysis of Multi-Phase Reacting Transport Phenomena in Discharge Process of Non-Aqueous Lithium-Air Battery

Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén

Abstract:

A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Computational Fluid Dynamics (CFD), modeling, multi-phase, transport phenomena, lithium-air battery

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11488 Investigation of Physical Properties of W-Doped CeO₂ and Mo-Doped CeO₂: A Density Functional Theory Study

Authors: Aicha Bouhlala, Sabah Chettibi

Abstract:

A systematic investigation on structural, electronic, and magnetic properties of Ce₀.₇₅A₀.₂₅O₂ (A = W, Mo) is performed using first-principles calculations within the framework Full-Potential Linear Augmented Plane Wave (FP-LAPW) method based on the Density Functional Theory (DFT). The exchange-correlation potential has been treated using the generalized gradient approximation (WC-GGA) developed by Wu-Cohen. The host compound CeO2 was doped with transition metal atoms W and Mo in the doping concentration of 25% to replace the Ce atom. In structural properties, the equilibrium lattice constant is observed for the W-doped CeO₂ compound which exists within the value of 5.314 A° and the value of 5.317 A° for Mo-doped CeO2. The present results show that Ce₀.₇₅A₀.₂₅O₂ (A=W, Mo) systems exhibit semiconducting behavior in both spin channels. Although undoped CeO₂ is a non-magnetic semiconductor. The band structure of these doped compounds was plotted and they exhibit direct band gap at the Fermi level (EF) in the majority and minority spin channels. In the magnetic properties, the doped atoms W and Mo play a vital role in increasing the magnetic moments of the supercell and the values of the total magnetic moment are found to be 1.998 μB for Ce₀.₇₅W₀.₂₅O₂ and to be 2.002 μB for Ce₀.₇₅Mo₀.₂₅O₂ compounds. Calculated results indicate that the magneto-electronic properties of the Ce₁₋ₓAₓO₂(A= W, Mo) oxides supply a new way to the experimentalist for the potential applications in spintronics devices.

Keywords: FP-LAPW, DFT, CeO₂, properties

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11487 Ab Initio Study of Co2ZrGe and Co2NbB Full Heusler Compounds

Authors: A. Abada, S. Hiadsi, T. Ouahrani, B. Amrani, K. Amara

Abstract:

Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of some Co2- based full Heusler alloys, namely Co2ZrGe and Co2NbB. The calculations show that these compounds are to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000 µB per formula unit, well consistent with the Slater-Pauling rule. Our calculations show indirect band gaps of 0.58 eV and 0.47 eV in the minority spin channel of density of states (DOS) for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half metallicity is found to be robust against volume changes and the two alloys kept a 100% of spin polarization at the Fermi level. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronics field.

Keywords: half-metallic ferromagnets, full Heusler alloys, magnetic properties, electronic properties

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11486 Electronic Transparency in Georgia as a Basis for Development of Electronic Governance

Authors: Lasha Mskhaladze, Guram Burchuladze, Khvicha Datunashvili

Abstract:

Technological changes have an impact not only on economic but also on social elements of society which in turn has created new challenges for states’ political systems and their regimes. As a result of unprecedented growth of information technologies and communications digital democracy and electronic governance have emerged. Nowadays effective state functioning cannot be imagined without electronic governance. In Georgia, special attention is paid to the development of such new systems and establishment of electronic governance. Therefore, in parallel to intensive development of information technologies an important priority for public sector in Georgia is the development of electronic governance. In spite of the fact that today Georgia with its economic indicators satisfies the standards of western informational society, and major part of its gross domestic product comes from the service sector (59.6%), it still remains a backward country on the world map in terms of information technologies and electronic governance. E-transparency in Georgia should be based on such parameters as government accountability when the government provides citizens information about their activities; e-participation which involves government’s consideration of external expert assessments; cooperation between officials and citizens in order to solve national problems. In order to improve electronic systems the government should actively do the following: Fully develop electronic programs concerning HR and exchange of data between public organizations; develop all possible electronic services; improve existing electronic programs; make electronic services available on different mobile platforms (iPhone, Android, etc.).

Keywords: electronic transparency, electronic services, information technology, information society, electronic systems

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11485 Provision Electronic Management Requirements in Libyan Oil Companies

Authors: Hitham Yami

Abstract:

This study will focus primarily on assessing the availability requirements of the electronic management of oil companies in Libya, and the mean objectives of the research applying electronic management and make recommendations and steps to approach electronic management. There are limited research and statistical analysis to support electronic management in Libyan companies. The groundwork for the proposed approach is to develop independent variables and the dependent variables to be restructured after it Alntra side of the field and the side to get the data to achieve the desired results and solving the problem faced by the Libyan Oil Corporation. All these strategies are proposed to achieve the goal, and solving Libyan oil installations.

Keywords: oil company’s revenue, independent variables, electronic management, Libyan oil corporation

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11484 Study of Electrical Properties of An-Fl Based Organic Semiconducting Thin Film

Authors: A.G. S. Aldajani, N. Smida, M. G. Althobaiti, B. Zaidi

Abstract:

In order to exploit the good electrical properties of anthracene and the excellent properties of fluorescein, new hybrid material has been synthesized (An-Fl). Current-voltage measurements were done on a new single-layer ITO/An-FL/Al device of typically 100 nm thickness. Atypical diode behavior is observed with a turn-on voltage of 4.4 V, a dynamic resistance of 74.07 KΩ and a rectification ratio of 2.02 due to unbalanced transport. Results show also that the current-voltage characteristics present three different regimes of the power-law (J~Vᵐ) for which the conduction mechanism is well described with space-charge-limited current conduction mechanism (SCLC) with a charge carrier mobility of 2.38.10⁻⁵cm2V⁻¹S⁻¹. Moreover, the electrical transport properties of this device have been carried out using a dependent frequency study in the range (50 Hz–1.4 MHz) for different applied biases (from 0 to 6 V). At lower frequency, the σdc values increase with bias voltage rising, supporting that the mobile ion can hop successfully to its nearest vacant site. From σac and impedance measurements, the equivalent electrical circuit is evidenced, where the conductivity process is coherent with an exponential trap distribution caused by structural defects and/or chemical impurities.

Keywords: semiconducting polymer, conductivity, SCLC, impedance spectroscopy

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11483 Theoretical Prediction of the Structural, Elastic, Electronic, Optical, and Thermal Properties of Cubic Perovskites CsXF3 (X = Ca, Sr, and Hg) under Pressure Effect

Authors: M. A. Ghebouli, A. Bouhemadou, H. Choutri, L. Louaila

Abstract:

Some physical properties of the cubic perovskites CsXF3 (X = Sr, Ca, and Hg) have been investigated using pseudopotential plane–wave (PP-PW) method based on the density functional theory (DFT). The calculated lattice constants within GGA (PBE) and LDA (CA-PZ) agree reasonably with the available experiment data. The elastic constants and their pressure derivatives are predicted using the static finite strain technique. We derived the bulk and shear moduli, Young’s modulus, Poisson’s ratio and Lamé’s constants for ideal polycrystalline aggregates. The analysis of B/G ratio indicates that CsXF3 (X = Ca, Sr, and Hg) are ductile materials. The thermal effect on the volume, bulk modulus, heat capacities CV, CP, and Debye temperature was predicted.

Keywords: perovskite, PP-PW method, elastic constants, electronic band structure

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11482 Logistics Model for Improving Quality in Railway Transport

Authors: Eva Nedeliakova, Juraj Camaj, Jaroslav Masek

Abstract:

This contribution is focused on the methodology for identifying levels of quality and improving quality through new logistics model in railway transport. It is oriented on the application of dynamic quality models, which represent an innovative method of evaluation quality services. Through this conception, time factor, expected, and perceived quality in each moment of the transportation process within logistics chain can be taken into account. Various models describe the improvement of the quality which emphases the time factor throughout the whole transportation logistics chain. Quality of services in railway transport can be determined by the existing level of service quality, by detecting the causes of dissatisfaction employees but also customers, to uncover strengths and weaknesses. This new logistics model is able to recognize critical processes in logistic chain. It includes service quality rating that must respect its specific properties, which are unrepeatability, impalpability, their use right at the time they are provided and particularly changeability, which is significant factor in the conditions of rail transport as well. These peculiarities influence the quality of service regarding the constantly increasing requirements and that result in new ways of finding progressive attitudes towards the service quality rating.

Keywords: logistics model, quality, railway transport

Procedia PDF Downloads 531
11481 The Pressure Effect and First-Principles Study of Strontium Chalcogenides SrS

Authors: Benallou Yassine, Amara Kadda, Bouazza Boubakar, Soudini Belabbes, Arbouche Omar, M. Zemouli

Abstract:

The study of the pressure effect on the materials, their functionality and their properties is very important, insofar as it provides the opportunity to identify others applications such the optical properties in the alkaline earth chalcogenides, as like the SrS. Here we present the first-principles calculations which have been performed using the full potential linearized augmented plane wave method (FP-LAPW) within the Generalized Gradient Approximation developed by Perdew–Burke–Ernzerhor for solids (PBEsol). The calculated structural parameters like the lattice parameters, the bulk modulus B and their pressure derivative B' are in reasonable agreement with the available experimental and theoretical data. In addition, the elastic properties such as elastic constants (C11, C12, and C44), the shear modulus G, the Young modulus E, the Poisson’s ratio ν and the B/G ratio are also given. The treatments of exchange and correlation effects were done by the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential for the electronic. The pressure effect on the electronic properties was visualized by calculating the variations of the gap as a function of pressure. The obtained results are compared to available experimental data and to other theoretical calculations

Keywords: SrS, GGA-PBEsol+TB-MBJ, density functional, Perdew–Burke–Ernzerhor, FP-LAPW, pressure effect

Procedia PDF Downloads 543
11480 Motives for Using Electronic Journalism More than Daily Newspapers in Palestine

Authors: Motaz Alshawwa

Abstract:

This current study aims to know journalists' motives for dealing with electronic journalism more than paper journalism in Palestine. The participants of the study were (250) journalists. To achieve the study objective, a questionnaire was used that was composed of (18) questions. The results of the study showed that the motives dealing with electronic journalism were utilitarian motives that were represented by knowing the local news. We find a statistically significant relationship at the level of significance of 0.05 between the uses of electronic journalism and gender, and there are statistically significant differences at the level of 0.05 in the motives of dealing with electronic journalism. The study recommends the daily paper journals in Palestine should meet the various and different needs of the public.

Keywords: electronic journalism, journalist, paper journalism, utilitarian motives

Procedia PDF Downloads 54