Search results for: electron exchange-correlation potential
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2819

Search results for: electron exchange-correlation potential

2819 On the Mechanism Broadening of Optical Spectrum of a Solvated Electron in Ammonia

Authors: V.K. Mukhomorov

Abstract:

The solvated electron is self-trapped (polaron) owing to strong interaction with the quantum polarization field. If the electron and quantum field are strongly coupled then the collective localized state of the field and quasi-particle is formed. In such a formation the electron motion is rather intricate. On the one hand the electron oscillated within a rather deep polarization potential well and undergoes the optical transitions, and on the other, it moves together with the center of inertia of the system and participates in the thermal random walk. The problem is to separate these motions correctly, rigorously taking into account the conservation laws. This can be conveniently done using Bogolyubov-Tyablikov method of canonical transformation to the collective coordinates. This transformation removes the translational degeneracy and allows one to develop the successive approximation algorithm for the energy and wave function while simultaneously fulfilling the law of conservation of total momentum of the system. The resulting equations determine the electron transitions and depend explicitly on the translational velocity of the quasi-particle as whole. The frequency of optical transition is calculated for the solvated electron in ammonia, and an estimate is made for the thermal-induced spectral bandwidth.

Keywords: Canonical transformations, solvated electron, width of the optical spectrum.

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2818 Highly Conductive Polycrystalline Metallic Ring in a Magnetic Field

Authors: Isao Tomita

Abstract:

Electrical conduction in a quasi-one-dimensional polycrystalline metallic ring with a long electron phase coherence length realized at low temperature is investigated. In this situation, the wave nature of electrons is important in the ring, where the electrical current I can be induced by a vector potential that arises from a static magnetic field applied perpendicularly to the ring’s area. It is shown that if the average grain size of the polycrystalline ring becomes large (or comparable to the Fermi wavelength), the electrical current I increases to ~I0, where I0 is a current in a disorder-free ring. The cause of this increasing effect is examined, and this takes place if the electron localization length in the polycrystalline potential increases with increasing grain size, which gives rise to coherent connection of tails of a localized electron wave function in the ring and thus provides highly coherent electrical conduction.

Keywords: Electrical Conduction, Electron Phase Coherence, Polycrystalline Metal, Magnetic Field.

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2817 Nitrogen and Phosphorus Removal from Livestock Wastewater by Zeolite Ion Exchange and Ionizing Radiation

Authors: Tak-Hyun Kim, Youn-Ku Nam, Myunjoo Lee

Abstract:

The ionizing radiation of livestock wastewater for the removal of nitrogen and phosphorus was studied in the presence of a natural zeolite. The feasibility of a combined process of zeolite ion exchange and electron beam irradiation of livestock wastewater was also investigated. The removal efficiencies of NH4 +-N, T-N and T-P were significantly enhanced by electron beam irradiation after zeolite ion exchange as a pre-treatment. The presence of silica zeolite accelerated the decomposition rate of livestock wastewater in the electron beam irradiation process. These results indicate that the combined process of zeolite ion exchange and electron beam irradiation has the potential for the treatment of livestock wastewater

Keywords: Zeolite, electron beam, livestock wastewater, ammonia nitrogen, phosphorus.

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2816 Implication of the Exchange-Correlation on Electromagnetic Wave Propagation in Single-Wall Carbon Nanotubes

Authors: A. Abdikian

Abstract:

Using the linearized quantum hydrodynamic model (QHD) and by considering the role of quantum parameter (Bohm’s potential) and electron exchange-correlation potential in conjunction with Maxwell’s equations, electromagnetic wave propagation in a single-walled carbon nanotubes was studied. The electronic excitations are described. By solving the mentioned equations with appropriate boundary conditions and by assuming the low-frequency electromagnetic waves, two general expressions of dispersion relations are derived for the transverse magnetic (TM) and transverse electric (TE) modes, respectively. The dispersion relations are analyzed numerically and it was found that the dependency of dispersion curves with the exchange-correlation effects (which have been ignored in previous works) in the low frequency would be limited. Moreover, it has been realized that asymptotic behaviors of the TE and TM modes are similar in single wall carbon nanotubes (SWCNTs). The results show that by adding the function of electron exchange-correlation potential lead to the phenomena and make to extend the validity range of QHD model. The results can be important in the study of collective phenomena in nanostructures.

Keywords: Transverse magnetic, transverse electric, quantum hydrodynamic model, electron exchange-correlation potential, single-wall carbon nanotubes.

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2815 Instability of Electron Plasma Waves in an Electron-Hole Bounded Quantum Dusty Plasma

Authors: Basudev Ghosh, Sailendranath Paul, Sreyasi Banerjee

Abstract:

Using quantum hydrodynamical (QHD) model the linear dispersion relation for the electron plasma waves propagating in a cylindrical waveguide filled with a dense plasma containing streaming electron, hole and stationary charged dust particles has been derived. It is shown that the effect of finite boundary and stream velocity of electrons and holes make some of the possible modes of propagation linearly unstable. The growth rate of this instability is shown to depend significantly on different plasma parameters.

Keywords: Electron Plasma wave, Quantum plasma, Quantum Hydrodynamical model.

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2814 Nonlinear Solitary Structures of Electron Plasma Waves in a Finite Temperature Quantum Plasma

Authors: Swarniv Chandra, Basudev Ghosh

Abstract:

Nonlinear solitary structures of electron plasma waves have been investigated by using nonlinear quantum fluid equations for electrons with an arbitrary temperature. It is shown that the electron degeneracy parameter has significant effects on the linear and nonlinear properties of electron plasma waves. Depending on its value both compressive and rarefactive solitons can be excited in the model plasma under consideration.

Keywords: Electron Plasma Waves, Finite Temperature Model, Modulational Instability, Quantum Plasma, Solitary structure

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2813 Modulational Instability of Electron Plasma Waves in Finite Temperature Quantum Plasma

Authors: Swarniv Chandra, Basudev Ghosh

Abstract:

Using the quantum hydrodynamic (QHD) model for quantum plasma at finite temperature the modulational instability of electron plasma waves is investigated by deriving a nonlinear Schrodinger equation. It was found that the electron degeneracy parameter significantly affects the linear and nonlinear properties of electron plasma waves in quantum plasma.

Keywords: Amplitude Modulation, Electron Plasma Waves, Finite Temperature Model, Modulational Instability, Quantum Plasma.

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2812 Introduction to Electron Spectroscopy for Surfaces Characterization

Authors: Abdelkader Benzian

Abstract:

Spectroscopy is the study of the spectrum produced by the radiation-matter interaction which requires the study of electromagnetic radiation (or electrons) emitted, absorbed, or scattered by matter. Thus, the spectral analysis is using spectrometers which enables us to obtain curves that express the distribution of the energy emitted (spectrum). Analysis of emission spectra can therefore constitute several methods depending on the range of radiation energy. The most common methods used are Auger electron spectroscopy (AES) and Electron Energy Losses Spectroscopy (EELS), which allow the determination of the atomic structure on the surface. This paper focalized essentially on the Electron Energy Loss Spectroscopy.

Keywords: Dielectric, plasmon, mean free path, spectroscopy of electron energy losses.

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2811 Nonlinear Slow Shear Alfven Waves in Electron- Positron-Ion Plasma Including Full Ion Dynamics

Authors: B. Ghosh, H. Sahoo, K. K. Mondal

Abstract:

Propagation of arbitrary amplitude nonlinear Alfven waves has been investigated in low but finite β electron-positron-ion plasma including full ion dynamics. Using Sagdeev pseudopotential method an energy integral equation has been derived. The Sagdeev potential has been calculated for different plasma parameters and it has been shown that inclusion of ion parallel motion along the magnetic field changes the nature of slow shear Alfven wave solitons from dip type to hump type. The effects of positron concentration, plasma-β and obliqueness of the wave propagation on the solitary wave structure have also been examined.

Keywords: Alfven waves, Sagdeev potential, Solitary waves.

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2810 Degradation Model of Optical Characteristics of Zno-Pigmented White Paint by Electron Radiation

Authors: Tian Hai, Yang Shengsheng, Jr., Wang Yi

Abstract:

Based on an analysis of the mechanism of degradation of optical characteristics of the ZnO-pigmented white paint by electron irradiation, a model of single molecular color centers is built. An equation that explains the relationship between the changes of variation of the ZnO-pigmented white paint-s spectrum absorptance and electron fluence is derived. The uncertain parameters in the equation can be calculated using the curve fitting by experimental data. The result indicates that the model can be applied to predict the degradation of optical characteristics of ZnO-pigmented white paint by electron radiation.

Keywords: ZnO-pigmented white pain, effects of electron radiation, optical characteristics degradation, prediction model.

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2809 Computer Software for Calculating Electron Mobility of Semiconductors Compounds; Case Study for N-Gan

Authors: Emad A. Ahmed

Abstract:

Computer software to calculate electron mobility with respect to different scattering mechanism has been developed. This software is adopted completely Graphical User Interface (GUI) technique and its interface has been designed by Microsoft Visual basic 6.0. As a case study the electron mobility of n-GaN was performed using this software. The behavior of the mobility for n-GaN due to elastic scattering processes and its relation to temperature and doping concentration were discussed. The results agree with other available theoretical and experimental data.

Keywords: Electron mobility, relaxation time, GaN, Scattering, Computer software, computation physics.

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2808 Researches Concerning Photons as Corpuscles with Mass and Negative Electrostatic Charge

Authors: Ioan Rusu

Abstract:

Let us consider that the entire universe is composed of a single hydrogen atom within which the electron is moving around the proton. In this case, according to classical theories of physics, radiation, photons respectively, should be absorbed by the electron. Depending on the number of photons absorbed, the electron radius of rotation around the proton is established. Until now, the principle of photons absorption by electrons and the electron transition to a new energy level, namely to a higher radius of rotation around the proton, is not clarified in physics. This paper aims to demonstrate that radiation, photons respectively, have mass and negative electrostatic charge similar to electrons but infinitely smaller. The experiments which demonstrate this theory are simple: thermal expansion, photoelectric effect and thermonuclear reaction.

Keywords: Electrostatic, electron, proton, photon, radiation.

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2807 Solar Cell Degradation by Electron Irradiation Effect of Irradiation Fluence

Authors: H. Mazouz, A. Belghachi, F. Hadjaj

Abstract:

Solar cells used in orbit are exposed to radiation environment mainly protons and high energy electrons. These particles degrade the output parameters of the solar cell. The aim of this work is to characterize the effects of electron irradiation fluence on the J (V) characteristic and output parameters of GaAs solar cell by numerical simulation. The results obtained demonstrate that the electron irradiation-induced degradation of performances of the cells concerns mainly the short circuit current

Keywords: GaAs solar cell, 1MeV electron irradiation, irradiation fluence.

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2806 ZnS and Graphene Quantum Dots Nanocomposite as Potential Electron Acceptor for Photovoltaics

Authors: S. M. Giripunje, Shikha Jindal

Abstract:

Zinc sulphide (ZnS) quantum dots (QDs) were synthesized successfully via simple sonochemical method. X-ray diffraction (XRD), scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) analysis revealed the average size of QDs of the order of 3.7 nm. The band gap of the QDs was tuned to 5.2 eV by optimizing the synthesis parameters. UV-Vis absorption spectra of ZnS QD confirm the quantum confinement effect. Fourier transform infrared (FTIR) analysis confirmed the formation of single phase ZnS QDs. To fabricate the diode, blend of ZnS QDs and P3HT was prepared and the heterojunction of PEDOT:PSS and the blend was formed by spin coating on indium tin oxide (ITO) coated glass substrate. The diode behaviour of the heterojunction was analysed, wherein the ideality factor was found to be 2.53 with turn on voltage 0.75 V and the barrier height was found to be 1.429 eV. ZnS-Graphene QDs nanocomposite was characterised for the surface morphological study. It was found that the synthesized ZnS QDs appear as quasi spherical particles on the graphene sheets. The average particle size of ZnS-graphene nanocomposite QDs was found to be 8.4 nm. From voltage-current characteristics of ZnS-graphene nanocomposites, it is observed that the conductivity of the composite increases by 104 times the conductivity of ZnS QDs. Thus the addition of graphene QDs in ZnS QDs enhances the mobility of the charge carriers in the composite material. Thus, the graphene QDs, with high specific area for a large interface, high mobility and tunable band gap, show a great potential as an electron-acceptors in photovoltaic devices.

Keywords: Graphene, mobility, nanocomposites, photovoltaics, quantum dots, zinc sulphide.

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2805 Structure-Phase States of Al-Si Alloy after Electron-Beam Treatment and Multicycle Fatigue

Authors: Krestina V. Alsaraeva, Victor E. Gromov, Sergey V. Konovalov, Anna A. Atroshkina

Abstract:

Processing of Al-19.4Si alloy by high intensive electron beam has been carried out and multiple increases in fatigue life of the material have been revealed. Investigations of structure and surface modified layer destruction of Al-19.4Si alloy subjected to multicycle fatigue tests to fracture have been carried out by methods of scanning electron microscopy. The factors responsible for the increase of fatigue life of Al-19.4Si alloy have been revealed and analyzed.

Keywords: Al-19.4Si alloy, high intensive electron beam, multicycle fatigue, structure.

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2804 Replacing MOSFETs with Single Electron Transistors (SET) to Reduce Power Consumption of an Inverter Circuit

Authors: Ahmed Shariful Alam, Abu Hena M. Mustafa Kamal, M. Abdul Rahman, M. Nasmus Sakib Khan Shabbir, Atiqul Islam

Abstract:

According to the rules of quantum mechanics there is a non-vanishing probability of for an electron to tunnel through a thin insulating barrier or a thin capacitor which is not possible according to the laws of classical physics. Tunneling of electron through a thin insulating barrier or tunnel junction is a random event and the magnitude of current flowing due to the tunneling of electron is very low. As the current flowing through a Single Electron Transistor (SET) is the result of electron tunneling through tunnel junctions of its source and drain the supply voltage requirement is also very low. As a result, the power consumption across a Single Electron Transistor is ultra-low in comparison to that of a MOSFET. In this paper simulations have been done with PSPICE for an inverter built with both SETs and MOSFETs. 35mV supply voltage was used for a SET built inverter circuit and the supply voltage used for a CMOS inverter was 3.5V.

Keywords: ITRS, enhancement type MOSFET, island, DC analysis, transient analysis, power consumption, background charge co-tunneling.

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2803 Synthesis and Characterization of Cu-NanoWire Arrays by EMD Using ITO-Template

Authors: Jyoti Narayan, S. Choudhary

Abstract:

Nanowire arrays of copper with uniform diameters have been synthesized by potentiostatic electrochemical metal deposition (EMD) of copper sulphate and potassium chloride solution within the nano-channels of porous Indium-Tin Oxide (ITO), also known as Tin doped Indium Oxide templates. The nanowires developed were fairly continuous with diameters ranging from 110-140 nm along the entire length. Single as well as poly-crystalline copper wires have been prepared by application of appropriate potential during the EMD process. Scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), small angle electron diffraction (SAED) and atomic force microscopy (AFM) were used to characterize the synthesized nano wires at room temperature. The electrochemical response of synthesized products was evaluated by cyclic voltammetry while surface energy analysis was carried out using a Goniometer.

Keywords: Electro-deposition, Metallic nano-wires, Nanomaterials, Template synthesis

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2802 Modeling Electric Field Distribution on Insulator under Electron Bombardment in Vacuum

Authors: A.G.E. Sutjipto, Jufriadi, R. Muhida, Afzeri, E.Y. Adesta

Abstract:

Charging and discharging phenomenon on the surface of materials can be found in plasma display panel, spacecraft charging, high voltage insulator, etc. This report gives a simple explanation on this phenomenon. A scanning electron microscope was used not only as a tool to produce energetic electron beam to charge an insulator without metallic coating and to produce a surface discharging (surface breakdown/flashover) but also to observe the visible charging and discharging on the sample surface. A model of electric field distribution on the surface was developed in order to explain charging and discharging phenomena. Since charging and discharging process involves incubation time, therefore this process can be used to evaluate the insulation property of materials under electron bombardment.

Keywords: Flashover, SEM, Electron Bombardment, Electric Field.

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2801 Probing Anomalous WW γ and WWZ Couplings with Polarized Electron Beam at the LHeC and FCC-Ep Collider

Authors: I. Turk Cakir, A. Senol, A. T. Tasci, O. Cakir

Abstract:

We study the anomalous WWγ and WWZ couplings by calculating total cross sections of two processes at the LHeC with electron beam energy Ee=140 GeV and the proton beam energy Ep=7 TeV, and at the FCC-ep collider with the polarized electron beam energy Ee=80 GeV and the proton beam energy Ep=50 TeV. At the LHeC with electron beam polarization, we obtain the results for the difference of upper and lower bounds as (0.975, 0.118) and (0.285, 0.009) for the anomalous (Δκγ, λγ) and (Δκz, λz) couplings, respectively. As for FCC-ep collider, these bounds are obtained as (1.101, 0.065) and (0.320, 0.002) at an integrated luminosity of Lint=100 fb^-1.

Keywords: Anomalous Couplings, Future Circular Collider, Large Hadron electron Collider, W-boson and Z-boson.

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2800 Nonlinear Simulation of Harmonically Coupled Two-Beam Free-Electron Laser

Authors: M. Zahedian, B. Maraghechi, M. H. Rouhani

Abstract:

A nonlinear model of two-beam free-electron laser (FEL) in the absence of slippage is presented. The two beams are assumed to be cold with different energies and the fundamental resonance of the higher energy beam is at the third harmonic of lower energy beam. By using Maxwell-s equations and full Lorentz force equations of motion for the electron beams, coupled differential equations are derived and solved numerically by the fourth order Runge–Kutta method. In this method a considerable growth of third harmonic electromagnetic field in the XUV and X-ray regions is predicted.

Keywords: Free-electron laser, Higher energy beam, Lowerenergy beam, Two-beam

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2799 Three-Dimensional Simulation of Free Electron Laser with Prebunching and Efficiency Enhancement

Authors: M. Chitsazi, B. Maraghechi, M. H. Rouhani

Abstract:

Three-dimensional simulation of harmonic up generation in free electron laser amplifier operating simultaneously with a cold and relativistic electron beam is presented in steady-state regime where the slippage of the electromagnetic wave with respect to the electron beam is ignored. By using slowly varying envelope approximation and applying the source-dependent expansion to wave equations, electromagnetic fields are represented in terms of the Hermit Gaussian modes which are well suited for the planar wiggler configuration. The electron dynamics is described by the fully threedimensional Lorentz force equation in presence of the realistic planar magnetostatic wiggler and electromagnetic fields. A set of coupled nonlinear first-order differential equations is derived and solved numerically. The fundamental and third harmonic radiation of the beam is considered. In addition to uniform beam, prebunched electron beam has also been studied. For this effect of sinusoidal distribution of entry times for the electron beam on the evolution of radiation is compared with uniform distribution. It is shown that prebunching reduces the saturation length substantially. For efficiency enhancement the wiggler is set to decrease linearly when the radiation of the third harmonic saturates. The optimum starting point of tapering and the slope of radiation in the amplitude of wiggler are found by successive run of the code.

Keywords: Free electron laser, Prebunching, Undulator, Wiggler.

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2798 Nonlinear Evolution of Electron Density Under High-Energy-Density Conditions

Authors: Shi Chen, Zi Y. Chen, Jian K. Dan, Jian F. Li

Abstract:

Evolution of one-dimensional electron system under high-energy-density (HED) conditions is investigated, using the principle of least-action and variational method. In a single-mode modulation model, the amplitude and spatial wavelength of the modulation are chosen to be general coordinates. Equations of motion are derived by considering energy conservation and force balance. Numerical results show that under HED conditions, electron density modulation could exist. Time dependences of amplitude and wavelength are both positively related to the rate of energy input. Besides, initial loading speed has a significant effect on modulation amplitude, while wavelength relies more on loading duration.

Keywords: Electron density modulation, HED, nonlinearevolution, plasmas.

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2797 Absolute Cross Sections of Multi-Photon Ionization of Xenon by the Comparison with Process of its Electron-Impact Ionization

Authors: A. A. Mityureva, A. A. Pastor, P. Yu. Serdobintsev, N. A. Timofeev

Abstract:

Comparison of electron- and photon-impact processes as a method for determination of photo-ionization cross sections is described, discussed and shown to have many attractive features.

Keywords: Transition probability, cross section, photo-ionization, electron-ionization, multi-photon process.

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2796 Propagation of Electron-Acoustic Solitary Waves in Weakly Relativistically Degenerate Fermi Plasma

Authors: Swarniv Chandra, Basudev Ghosh, S. N. Paul

Abstract:

Using one dimensional Quantum hydrodynamic (QHD) model Korteweg de Vries (KdV) solitary excitations of electron-acoustic waves (EAWs) have been examined in twoelectron- populated relativistically degenerate super dense plasma. It is found that relativistic degeneracy parameter influences the conditions of formation and properties of solitary structures.

Keywords: Relativistic Degeneracy, Electron-Acoustic Waves, Quantum Plasma, KdV Equation.

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2795 Electron Filling Factor and Sunlight Concentration Effects on the Efficiency of Intermediate Band Solar Cell

Authors: Nima Es'haghi Gorji, Hossein Movla, Foozieh Sohrabi, Alireza Mottaghizadeh, Mohammad Houshmand, Hassan Babaei, Arash Nikniazi

Abstract:

For a determined intermediate band position, the effects of electron filling factor and sunlight concentration on the active region thickness and efficiency of the quantum-dot intermediate band solar cell are calculated. For each value of electron filling factor, the maximum point of efficiency obtained and resulted in the optimum thickness of the cell under three different sunlight concentrations. We show the importance of filling factor as a parameter to be more considered. The photon recycling effect eliminated in all calculations.

Keywords: Intermediate band, Sunlight concentration, Efficiency limits, Electron filling factor

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2794 Electron Spin Resonance of Conduction Electrons and Spin Waves Dynamics Investigations in Bi-2223 Superconductor for Decoding Pairing Mechanism

Authors: S. N. Ekbote, G. K. Padam, Manju Arora

Abstract:

Electron spin resonance (ESR) spectroscopic investigations of (Bi, Pb)2Sr2Ca2Cu3O10-x (Bi-2223) bulk samples were carried out in both the normal and superconducting states. A broad asymmetric resonance signal with side signals is obtained in the normal state, and all of them disappear in the superconducting state. The temperature and angular orientation effects on these signals suggest that the broad asymmetric signal arises from electron spin resonance of conduction electrons (CESR) and the side signals from exchange interactions as Platzman-Wolff type spin waves. The disappearance of CESR and spin waves in a superconducting state demonstrates the role of exchange interactions in Cooper pair formation.

Keywords: Bi-2223 superconductor, electron spin resonance of conduction electrons, electron spin resonance, Exchange interactions, spin waves.

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2793 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:

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, 0.010, 0.020, and 0.050 has been studied, 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 (χ) 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.

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

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2792 Mesoporous Material Nanofibers by Electrospinning

Authors: Sh. Sohrabnezhad, A. Jafarzadeh

Abstract:

In this paper, MCM-41 mesoporous material nanofibers were synthesized by an electrospinning technique. The nanofibers were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), x-ray diffraction (XRD), and nitrogen adsorption–desorption measurement. Tetraethyl orthosilicate (TEOS) and polyvinyl alcohol (PVA) were used as a silica source and fiber forming source, respectively. TEM and SEM images showed synthesis of MCM-41 nanofibers with a diameter of 200 nm. The pore diameter and surface area of calcined MCM-41 nanofibers was 2.2 nm and 970 m2/g, respectively. The morphology of the MCM-41 nanofibers depended on spinning voltages.

Keywords: Electrospinning, electron microscopy, fiber technology, porous materials, X-ray techniques.

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2791 Spectroscopic Characterization of Indium-Tin Laser Ablated Plasma

Authors: M. Hanif, M. Salik

Abstract:

In the present research work we present the optical emission studies of the Indium (In) – Tin (Sn) plasma produced by the first (1064 nm) harmonic of an Nd: YAG nanosecond pulsed laser. The experimentally observed line profiles of neutral Indium (In I) and Tin (SnI) are used to extract the electron temperature (Te) using the Boltzmann plot method. Whereas, the electron number density (Ne) has been determined from the Stark broadening line profile method. The Te is calculated by varying the distance from the target surface along the line of propagation of plasma plume and also by varying the laser irradiance. Beside we have studied the variation of Ne as a function of laser irradiance as well as its variation with distance from the target surface.

Keywords: Indium – Tin plasma, laser ablation, optical emission spectroscopy, electron temperature, and electron number density.

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2790 Electron Density Discrepancy Analysis of Energy Metabolism Coenzymes

Authors: Alan Luo, Hunter N. B. Moseley

Abstract:

Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.

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