Search results for: electron density discrepancy analysis
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9855

Search results for: electron density discrepancy analysis

9855 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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9854 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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9853 Applying the Crystal Model Approach on Light Nuclei for Calculating Radii and Density Distribution

Authors: A. Amar

Abstract:

A new model namely, the crystal model, has been modified to calculate radius and density distribution of light nuclei up to 8Be. The crystal model has been modified according to solid state physics which uses the analogy between nucleon distribution and atoms distribution in the crystal. The model has analytical analysis to calculate the radius where the density distribution of light nuclei has been obtained from the analogy of crystal lattice. The distribution of nucleons over crystal has been discussed in general form. The equation used to calculate binding energy was taken from the solid-state model of repulsive and attractive force. The numbers of the protons were taken to control repulsive force where the atomic number was responsible for the attractive force. The parameter has been calculated from the crystal model was found to be proportional to the radius of the nucleus. The density distribution of light nuclei was taken as a summation of two clusters distribution as in 6Li=alpha+deuteron configuration. A test has been done on the data obtained for radius and density distribution using double folding for d+6,7Li with M3Y nucleon-nucleon interaction. Good agreement has been obtained for both radius and density distribution of light nuclei. The model failed to calculate the radius of 9Be, so modifications should be done to overcome discrepancy.

Keywords: nuclear lattice, crystal model, light nuclei, nuclear density distributions

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9852 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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9851 Electron Beam Processing of Ethylene-Propylene-Terpolymer-Based Rubber Mixtures

Authors: M. D. Stelescu, E. Manaila, G. Craciun, D. Ighigeanu

Abstract:

The goal of the paper is to present the results regarding the influence of the irradiation dose and amount of multifunctional monomer trimethylol-propane trimethacrylate (TMPT) on ethylene-propylene-diene terpolymer rubber (EPDM) mixtures irradiated in electron beam. Blends, molded on an electrically heated laboratory roller mill and compressed in an electrically heated hydraulic press, were irradiated using the ALID 7 of 5.5 MeV linear accelerator in the dose range of 22.6 kGy to 56.5 kGy in atmospheric conditions and at room temperature of 25 °C. The share of cross-linking and degradation reactions was evaluated by means of sol-gel analysis, cross-linking density measurements, FTIR studies and Charlesby-Pinner parameter (p0/q0) calculations. The blends containing different concentrations of TMPT (3 phr and 9 phr) and irradiated with doses in the mentioned range have present the increasing of gel content and cross-linking density. Modified and new bands in FTIR spectra have appeared, because of both cross-linking and chain scission reactions.

Keywords: Electron beam irradiation, EPDM rubber, crosslinking density, gel fraction.

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9850 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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9849 Sex Differences in Thyroid Gland Structure of Rabbits

Authors: Parchami A., Fatahian Dehkordi RF.

Abstract:

The aim of the present investigation was to compare sex differences in thyroid gland structure of rabbits. Five adult male and five adult female (3.1-3.5 kg body weight) New Zealand white rabbits were used in the experiment. Results showed that at light microscopic level, there was no sex difference in microscopic appearance of the thyroid glands. At electron microscopic level, however, the mitochondria and the microvilli of the follicular cells are more numerous and the Golgi complex is also more extensive in male rabbits in comparison to females. Results obtained from micrometric measurements showed that the volume density of the follicles is higher in males than in females, but the differences are not statistically significant .The volume density of epithelium and the height of follicular cells are significantly greater in males than in females and reverse is true about the volume density of interstitium (p<0.05). The volume density of colloid is also greater in females (66±6) than in males (60±7) but the differences are not statistically significant .It was concluded that sex has limited effects on histomorphometric properties of thyroid gland in rabbits.

Keywords: Rabbit, Thyroid Gland, Sex difference, Electron microscope

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9848 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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9847 Plasma Density Distribution in Asymmetric Geometry Capacitive Coupled Plasma Discharge System

Authors: Yinchang Du, Yangfang Li

Abstract:

In this work, we used the single Langmuir probe to measure the plasma density distribution in an geometrically asymmetric capacitive coupled plasma discharge system. Because of the frame structure of powered electrode, the plasma density was not homogeneous in the discharge volume. It was higher under the frame, but lower in the centre. Finite element simulation results showed a good agreement with the experiment results. To increase the electron density in the central volume and improve the homogeneity of the plasma, we added an auxiliary electrode, powered by DC voltage, in the simulation geometry. The simulation results showed that the auxiliary electrode could alter the potential distribution and improve the density homogeneity effectively.

Keywords: Capacitive coupled discharge, asymmetric discharge, homogeneous plasma.

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9846 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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9845 Effective Density for the Classification of Transport Activity Centers

Authors: Dubbale Daniel A., Tsutsumi J.

Abstract:

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

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

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9844 Fourier Spectral Method for Analytic Continuation

Authors: Zhenyu Zhao, Lei You

Abstract:

The numerical analytic continuation of a function f(z) = f(x + iy) on a strip is discussed in this paper. The data are only given approximately on the real axis. The periodicity of given data is assumed. A truncated Fourier spectral method has been introduced to deal with the ill-posedness of the problem. The theoretic results show that the discrepancy principle can work well for this problem. Some numerical results are also given to show the efficiency of the method.

Keywords: Analytic continuation, ill-posed problem, regularization method Fourier spectral method, the discrepancy principle.

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9843 Synthesis, Structural, and Dielectric Characterization of Cadmium Oxide Nanoparticles

Authors: Suresh Sagadevan, A. Veeralakshmi

Abstract:

Cadmium oxide (CdO) nanoparticles have been prepared by chemical coprecipitation method. The synthesized nanoparticles were characterized by X-ray diffraction analysis (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV analysis, and dielectric studies. The crystalline nature and particle size of the CdO nanoparticles were characterized by Powder X-ray diffraction analysis (XRD). The morphology of prepared CdO nanoparticles was studied by scanning electron microscopy. The particle size was studied using the transmission electron microscopy (TEM).The optical properties were obtained from UV-Vis absorption spectrum. The dielectric properties of CdO nanoparticles were studied in the frequency range of 50 Hz–5 MHz at different temperatures. The frequency dependence of the dielectric constant and dielectric loss is found to decrease with an increase in the frequency at different temperatures. The ac conductivity of CdO nanoparticle has been studied.

Keywords: Cadmium Oxide (CdO), XRD, SEM, Dielectric constant and Dielectric loss.

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9842 Orthogonal Polynomial Density Estimates: Alternative Representation and Degree Selection

Authors: Serge B. Provost, Min Jiang

Abstract:

The density estimates considered in this paper comprise a base density and an adjustment component consisting of a linear combination of orthogonal polynomials. It is shown that, in the context of density approximation, the coefficients of the linear combination can be determined either from a moment-matching technique or a weighted least-squares approach. A kernel representation of the corresponding density estimates is obtained. Additionally, two refinements of the Kronmal-Tarter stopping criterion are proposed for determining the degree of the polynomial adjustment. By way of illustration, the density estimation methodology advocated herein is applied to two data sets.

Keywords: kernel density estimation, orthogonal polynomials, moment-based methodologies, density approximation.

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9841 Numerical Analysis and Experimental Validation of Detector Pressure Housing Subject to HPHT

Authors: Hafeez Syed, Harit Naik

Abstract:

Reservoirs with high pressures and temperatures (HPHT) that were considered to be atypical in the past are now frequent targets for exploration. For downhole oilfield drilling tools and components, the temperature and pressure affect the mechanical strength. To address this issue, a finite element analysis (FEA) for 206.84 MPa (30 ksi) pressure and 165°C has been performed on the pressure housing of the measurement-while-drilling/logging-whiledrilling (MWD/LWD) density tool. The density tool is a MWD/LWD sensor that measures the density of the formation. One of the components of the density tool is the pressure housing that is positioned in the tool. The FEA results are compared with the experimental test performed on the pressure housing of the density tool. Past results show a close match between the numerical results and the experimental test. This FEA model can be used for extreme HPHT and ultra HPHT analyses, and/or optimal design changes.

Keywords: FEA, HPHT, M/LWD, Oil & Gas

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9840 Experiment Study on the Plasma Parameters Measurement in Backflow Region of Ion Thruster

Authors: Tian Kai, Yang Sheng-sheng, Li De-tian, Miao Yu-jun, Xue Yu-xiong Wang Yi, Yan Ze-dong, Ma Ya-li, ZHuang Jian-hong

Abstract:

The charge-exchange xenon (CEX) ion generated by ion thruster can backflow to the surface of spacecraft and threaten to the safety of spacecraft operation. In order to evaluate the effects of the induced plasma environment in backflow regions on the spacecraft, we designed a spherical single Langmuir probe of 5.8cm in diameter for measuring low-density plasma parameters in backflow region of ion thruster. In practice, the tests are performed in a two-dimensional array (40cm×60cm) composed of 20 sites. The experiment results illustrate that the electron temperature ranges from 3.71eV to 3.96eV, with the mean value of 3.82eV and the standard deviation of 0.064eV. The electron density ranges from 8.30×1012/m3 to 1.66×1013/m3, with the mean value of 1.30×1013/m3 and the standard deviation of 2.15×1012/m3. All data is analyzed according to the “ideal" plasma conditions of Maxwellian distributions.

Keywords: Langmuir Probe, Plasma parameters, Ion thruster, Backflow region.

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9839 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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9838 Enhanced-Delivery Overlay Multicasting Scheme by Optimizing Bandwidth and Latency Discrepancy Ratios

Authors: Omar F. Hamad, T. Marwala

Abstract:

With optimized bandwidth and latency discrepancy ratios, Node Gain Scores (NGSs) are determined and used as a basis for shaping the max-heap overlay. The NGSs - determined as the respective bandwidth-latency-products - govern the construction of max-heap-form overlays. Each NGS is earned as a synergy of discrepancy ratio of the bandwidth requested with respect to the estimated available bandwidth, and latency discrepancy ratio between the nodes and the source node. The tree leads to enhanceddelivery overlay multicasting – increasing packet delivery which could, otherwise, be hindered by induced packet loss occurring in other schemes not considering the synergy of these parameters on placing the nodes on the overlays. The NGS is a function of four main parameters – estimated available bandwidth, Ba; individual node's requested bandwidth, Br; proposed node latency to its prospective parent (Lp); and suggested best latency as advised by source node (Lb). Bandwidth discrepancy ratio (BDR) and latency discrepancy ratio (LDR) carry weights of α and (1,000 - α ) , respectively, with arbitrary chosen α ranging between 0 and 1,000 to ensure that the NGS values, used as node IDs, maintain a good possibility of uniqueness and balance between the most critical factor between the BDR and the LDR. A max-heap-form tree is constructed with assumption that all nodes possess NGS less than the source node. To maintain a sense of load balance, children of each level's siblings are evenly distributed such that a node can not accept a second child, and so on, until all its siblings able to do so, have already acquired the same number of children. That is so logically done from left to right in a conceptual overlay tree. The records of the pair-wise approximate available bandwidths as measured by a pathChirp scheme at individual nodes are maintained. Evaluation measures as compared to other schemes – Bandwidth Aware multicaSt architecturE (BASE), Tree Building Control Protocol (TBCP), and Host Multicast Tree Protocol (HMTP) - have been conducted. This new scheme generally performs better in terms of trade-off between packet delivery ratio; link stress; control overhead; and end-to-end delays.

Keywords: Overlay multicast, Available bandwidth, Max-heapform overlay, Induced packet loss, Bandwidth-latency product, Node Gain Score (NGS).

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9837 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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9836 A New Knapsack Public-Key Cryptosystem Based on Permutation Combination Algorithm

Authors: Min-Shiang Hwang, Cheng-Chi Lee, Shiang-Feng Tzeng

Abstract:

A new secure knapsack cryptosystem based on the Merkle-Hellman public key cryptosystem will be proposed in this paper. Although it is common sense that when the density is low, the knapsack cryptosystem turns vulnerable to the low-density attack. The density d of a secure knapsack cryptosystem must be larger than 0.9408 to avoid low-density attack. In this paper, we investigate a new Permutation Combination Algorithm. By exploiting this algorithm, we shall propose a novel knapsack public-key cryptosystem. Our proposed scheme can enjoy a high density to avoid the low-density attack. The density d can also exceed 0.9408 to avoid the low-density attack.

Keywords: Public key, Knapsack problem, Knapsack cryptosystem, low-density attack.

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9835 Thermodynamic Equilibrium of Nitrogen Species Discharge: Comparison with Global Model

Authors: Saktioto, F.D Ismail, P.P. Yupapin, J. Ali

Abstract:

The equilibrium process of plasma nitrogen species by chemical kinetic reactions along various pressures is successfully investigated. The equilibrium process is required in industrial application to obtain the stable condition when heating up the material for having homogenous reaction. Nitrogen species densities is modeled by a continuity equation and extended Arrhenius form. These equations are used to integrate the change of density over the time. The integration is to acquire density and the reaction rate of each reaction where temperature and time dependence are imposed. A comparison is made with global model within pressure range of 1- 100mTorr and the temperature of electron is set to be higher than other nitrogen species. The results shows that the chemical kinetic model only agrees for high pressure because of no power imposed; while the global model considers the external power along the pressure range then the electron and nitrogen species give highly quantity densities by factor of 3 to 5.

Keywords: chemical kinetic model, Arrhenius equation, nitrogen plasma, low pressure discharge

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9834 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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9833 Analyses and Optimization of Physical and Mechanical Properties of Direct Recycled Aluminium Alloy (AA6061) Wastes by ANOVA Approach

Authors: Mohammed H. Rady, Mohd Sukri Mustapa, S Shamsudin, M. A. Lajis, A. Wagiman

Abstract:

The present study is aimed at investigating microhardness and density of aluminium alloy chips when subjected to various settings of preheating temperature and preheating time. Three values of preheating temperature were taken as 450 °C, 500 °C, and 550 °C. On the other hand, three values of preheating time were chosen (1, 2, 3) hours. The influences of the process parameters (preheating temperature and time) were analyzed using Design of Experiments (DOE) approach whereby full factorial design with center point analysis was adopted. The total runs were 11 and they comprise of two factors of full factorial design with 3 center points. The responses were microhardness and density. The results showed that the density and microhardness increased with decreasing the preheating temperature. The results also found that the preheating temperature is more important to be controlled rather than the preheating time in microhardness analysis while both the preheating temperature and preheating time are important in density analysis. It can be concluded that setting temperature at 450 °C for 1 hour resulted in the optimum responses.

Keywords: AA6061, density, DOE, hot extrusion, microhardness.

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9832 Time-Domain Analysis Approaches of Soil-Structure Interaction: A Comparative Study

Authors: Abdelrahman Taha, Niloofar Malekghaini, Hamed Ebrahimian, Ramin Motamed

Abstract:

This paper compares the substructure and direct approaches for soil-structure interaction (SSI) analysis in the time domain. In the substructure approach, the soil domain is replaced by a set of springs and dashpots, also referred to as the impedance function, derived through the study of the behavior of a massless rigid foundation. The impedance function is inherently frequency dependent, i.e., it varies as a function of the frequency content of the structural response. To use the frequency-dependent impedance function for time-domain SSI analysis, the impedance function is approximated at the fundamental frequency of the coupled soil-structure system. To explore the potential limitations of the substructure modeling process, a two-dimensional (2D) reinforced concrete frame structure is modeled and analyzed using the direct and substructure approaches. The results show discrepancy between the simulated responses of the direct and substructure models. It is concluded that the main source of discrepancy is likely attributed to the way the impedance functions are calculated, i.e., assuming a massless rigid foundation without considering the presence of the superstructure. Hence, a refined impedance function, considering the presence of the superstructure, shall alternatively be developed. This refined impedance function is expected to improve the simulation accuracy of the substructure approach.

Keywords: Direct approach, impedance function, massless rigid foundation, soil-structure interaction, substructure approach.

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9831 DFT Study of Half Sandwich of Vanadium (IV) Cyclopentadienyl Complexes

Authors: Salem El-tohami Ashoor

Abstract:

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

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

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

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9830 Treatment of Low-Grade Iron Ore Using Two Stage Wet High-Intensity Magnetic Separation Technique

Authors: Moses C. Siame, Kazutoshi Haga, Atsushi Shibayama

Abstract:

This study investigates the removal of silica, alumina and phosphorus as impurities from Sanje iron ore using wet high-intensity magnetic separation (WHIMS). Sanje iron ore contains low-grade hematite ore found in Nampundwe area of Zambia from which iron is to be used as the feed in the steelmaking process. The chemical composition analysis using X-ray Florence spectrometer showed that Sanje low-grade ore contains 48.90 mass% of hematite (Fe2O3) with 34.18 mass% as an iron grade. The ore also contains silica (SiO2) and alumina (Al2O3) of 31.10 mass% and 7.65 mass% respectively. The mineralogical analysis using X-ray diffraction spectrometer showed hematite and silica as the major mineral components of the ore while magnetite and alumina exist as minor mineral components. Mineral particle distribution analysis was done using scanning electron microscope with an X-ray energy dispersion spectrometry (SEM-EDS) and images showed that the average mineral size distribution of alumina-silicate gangue particles is in order of 100 μm and exists as iron-bearing interlocked particles. Magnetic separation was done using series L model 4 Magnetic Separator. The effect of various magnetic separation parameters such as magnetic flux density, particle size, and pulp density of the feed was studied during magnetic separation experiments. The ore with average particle size of 25 µm and pulp density of 2.5% was concentrated using pulp flow of 7 L/min. The results showed that 10 T was optimal magnetic flux density which enhanced the recovery of 93.08% of iron with 53.22 mass% grade. The gangue mineral particles containing 12 mass% silica and 3.94 mass% alumna remained in the concentrate, therefore the concentrate was further treated in the second stage WHIMS using the same parameters from the first stage. The second stage process recovered 83.41% of iron with 67.07 mass% grade. Silica was reduced to 2.14 mass% and alumina to 1.30 mass%. Accordingly, phosphorus was also reduced to 0.02 mass%. Therefore, the two stage magnetic separation process was established using these results.

Keywords: Sanje iron ore, magnetic separation, silica, alumina, recovery.

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9829 Analysis on Urban Form and Evolution Mechanism of High-Density City: Case Study of Hong Kong

Authors: Yuan Zhang

Abstract:

Along with large population and great demands for urban development, Hong Kong serves as a typical high-density city with multiple altitudes, advanced three-dimensional traffic system, rich city open space, etc. This paper contributes to analyzing its complex urban form and evolution mechanism from three aspects of view, separately as time, space and buildings. Taking both horizontal and vertical dimension into consideration, this paper provides a perspective to explore the fascinating process of growing and space folding in the urban form of high-density city, also as a research reference for related high-density urban design.

Keywords: Evolution mechanism, high-density city, Hong Kong, urban form.

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9828 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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9827 Research on the Correlation of the Fluctuating Density Gradient of the Compressible Flows

Authors: Yasuo Obikane

Abstract:

This work is to study a roll of the fluctuating density gradient in the compressible flows for the computational fluid dynamics (CFD). A new anisotropy tensor with the fluctuating density gradient is introduced, and is used for an invariant modeling technique to model the turbulent density gradient correlation equation derived from the continuity equation. The modeling equation is decomposed into three groups: group proportional to the mean velocity, and that proportional to the mean strain rate, and that proportional to the mean density. The characteristics of the correlation in a wake are extracted from the results by the two dimensional direct simulation, and shows the strong correlation with the vorticity in the wake near the body. Thus, it can be concluded that the correlation of the density gradient is a significant parameter to describe the quick generation of the turbulent property in the compressible flows.

Keywords: Turbulence Modeling , Density Gradient Correlation, Compressible

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9826 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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