16 resultados para Continued Fraction Method

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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The electronic structure of a bounded intrinsic stacking fault in silicon is calculated. The method used is an LCAO-scheme (Linear Combinations of Atomic Orbitals) taking ten atomic orbitals of s-, p-, and d-type into account. The levels in the band gap are extracted using Lanczos' algorithm and a continued fraction representation of the local density of states. We find occupied states located up to 0.3 eV above the valence band maximum (E(v)). This significantly differs from the result obtained for the ideal infinite fault for which the interface state is located at E(v)+ 0.1 eV.

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An LCAO scheme (linear combination of atomic orbitals) taking into account ten atomic orbitals (s-, p-, and d-type) is used to calculate the electronic structure of a vacancy present in the core of the reconstructed 90 degrees partial dislocation in silicon. The levels in the band gap are extracted using Lanczos' algorithm and a continued fraction representation of the local density of states. The three-fold degenerate stale of the ideal vacancy is split into three levels with energies 0.26, 1.1, and 1.9 eV measured from the valence band edge.

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A three-phase confocal elliptical cylinder model is proposed for fiber-reinforced composites, in terms of which a generalized self-consistent method is developed for fiber-reinforced composites accounting for variations in fiber section shapes and randomness in fiber section orientation. The reasonableness of the fiber distribution function in the present model is shown. The dilute, self-consistent, differential and Mori-Tanaka methods are also extended to consider randomness in fiber section orientation in a statistical sense. A full comparison is made between various micromechanics methods and with the Hashin and Shtrikman's bounds. The present method provides convergent and reasonable results for a full range of variations in fiber section shapes (from circular fibers to ribbons), for a complete spectrum of the fiber volume fraction (from 0 to 1, and the latter limit shows the correct asymptotic behavior in the fully packed case) and for extreme types of the inclusion phases (from voids to rigid inclusions). A very different dependence of the five effective moduli on fiber section shapes is theoretically predicted, and it provides a reasonable explanation on the poor correlation between previous theory and experiment in the case of longitudinal shear modulus.

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The measurement of void fraction is of importance to the oil industry and chemical industry. In this article, the principle and mathematical method of determining the void fraction of horizontal gas-liquid flow by using a single-energy gamma-ray system is described. The gamma-ray source is the radioactive isotope of Am-241 with gamma-ray energy of 59.5 keV. The time-averaged value of the void fraction in a 50.0-mm i.d. transparent horizontal pipeline is measured under various combinations of the liquid flow and gas flow. It is found that increasing the gas flow rate at a fixed liquid flow rate would increase the void fraction. Test data are compared with the predictions of the correlations and a good agreement is found. The result shows that the designed gamma-ray system can be used for measuring the void fraction in a horizontal gas-liquid two-phase flow with high accuracy.

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The present work has been carried out to investigate on the average void fraction of gas/non-Newtonian fluids flow in downward inclined pipes. The influences of pipe inclination angle on the average void fraction were studied experimentally. A simple correlation, which incorporated the method of Vlachos et al. for gas/Newtonain fluid horizontal flow, the correction factor of Farooqi and Richardson and the pipe inclination angle, was proposed to predict the average void fraction of gas/non-Newtonian power-law stratified flow in downward inclined pipes. The correlation was based on 470 data points covering a wide range of flow rates for different systems at diverse angles. A good agreement was obtained between theory and data and the fitting results could describe the majority of the experimental data within ±20%.

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Cladding band structure of air-guiding photonic crystal fibers with high air-filling fraction is calculated in terms of fiber shape variation. The fundamental photonic band gap dependence on structure parameters, air-filling fraction and spacing, is also investigated. The numerical results show that the band gap edges shift toward longer wavelength as the air-filling fraction is increased, whereas the relative band gap width increases linearly. For a fixed air-filling fraction, the band gap edges with respect to spacing keep constant. With this method, the simulation results agree well with the reported data. © 2007 Elsevier B.V. All rights reserved.

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A rapid and sensitive method for separation and determination of Cr(VI) and Cr(III) in bottom mud of lake by flow injection on-line preconcentrtion system and GFAAS was developed. The available Cr(VI) and Cr(III) were extracted by HOAc or EDTA + NH4 NO3 and adsorbed simultaneously by an anion and a cation resin microclummn and then eluted simultaneously by 2 mol/L NH4 NO3 + 0.05 mol/L ascorbate and 2 mol/L H2SO4, respectively. The elution was performed for 50 s after adsorption for 2 min, and the efficiencies of elution were 85.4% - 94.8% and 96.7% - 106% for Cr(VI) and Cr(M) respectively. The detection limits of the method were 0.9 mu g/L and 2.7 mu g/L with relative standard deviations of 3.5% and 6.4% for the determination of Cr(VI) and Cr(III) in sample, respectively.

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E2SiO5 thin films were fabricated on Si substrate by reactive magnetron sputtering method with subsequent annealing treatment. The morphology properties of as-deposited films have been studied by scanning electron microscope. The fraction of erbium is estimated to be 23.5 at% based on Rutherford backscattering measurement in as-deposited Er-Si-O film. X-ray diffraction measurement revealed that Er2SiO5 crystalline structure was formed as sample treated at 1100 degrees C for 1 h in O-2 atmosphere. Through proper thermal treatment, the 1.53 mu m Er3+-related emission intensity can be enhanced by a factor of 50 with respect to the sample annealed at 800 degrees C. Analysis of pump-power dependence of Er3+ PL intensity indicated that the upconversion phenomenon could be neglected even under a high photon flux of 10(21) (photons/cm(2)/sec). Temperature-dependent photoluminescence (PL) of Er2SiO5 was studied and showed a weak thermal quenching factor of 2. Highly efficienct photoluminescence of Er2SiO5 films has been demonstrated with Er3+ concentration of 10(22)/cm(3), and it opens a promising way towards future Si-based light source for Si photonics. (C) 2009 Elsevier B.V. All rights reserved.

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The results of conductivity, photoconductivity and constant photocurrent method absorption measurements by DC and AC methods in hydrogenated silicon films with mixed amorphous-nanocrystalline structure are presented. A series of diphasic silicon films was deposited by very high frequency plasma enhanced chemical vapor deposition technique, using different hydrogen dilution ratios of silane. The increase of hydrogen dilution ratio results in five orders of magnitude increase of conductivity and a sharp increase of grain volume fraction. The comparison of the absorption spectra obtained by DC and AC methods showed that they are similar for silicon films with the predominantly amorphous structure and films with high grain volume fraction. However we found a dramatic discrepancy between the absorption spectra obtained by DC and AC constant photocurrent methods in silicon films deposited in the regime of the structure transition from amorphous to nanocrystalline state. AC constant photocurrent method gives higher absorption coefficient than DC constant photocurrent method in the photon energy range of 1.2-1.7 eV. This result indicates the possibility of crystalline grains contribution to absorption spectra measured by AC constant photocurrent method in silicon films with intermediate crystalline grain volume fraction. (c) 2008 Published by Elsevier B.V.

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A novel method for positioning of InAs islands on GaAs (110) by cleaved edge overgrowth is reported. The first growth sample contains strained InxGa1-xAs/GaAs superlattice (SL) of varying indium fraction, which acts as a strain nanopattern for the cleaved-edge overgrowth. Atoms incident on the cleaved edge will preferentially migrate to InGaAs regions where favorable bonding sites are available. By this method InAs island chains with lateral periodicity defined by the thickness of InGaAs and GaAs of SL have been realized by molecular beam epitaxy (MBE). They are observed by means of atomic force microscopy (AFM). The strain nanopattern's effect is studied by the different indium fraction of SL and MBE growth conditions. (c) 2005 Elsevier B.V. All rights reserved.

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The self-assembly of symmetric coil-rod-coil ABA-type triblock copolymer melts is studied by applying self-consistent field lattice techniques in a three-dimensional space. The self-assembled ordered structures differ significantly with the variation of the volume fraction of the rod component, which include lamellar, wave lamellar, gyroid, perforated lamellar, cylindrical, and spherical-like phases. To understand the physical essence of these phases and the regimes of occurrence, we construct the phase diagram, which matches qualitatively with the existing experimental results. Compared with the coil-rod AB diblock copolymer, our results revealed that the interfacial grafting density of the separating rod and coil segments shows important influence on the self-assembly behaviors of symmetric coil-rod-coil ABA triblock copolymer melts. We found that the order-disorder transition point changes from f(rod)=0.5 for AB diblock copolymers to f(rod)=0.6 for ABA triblock copolymers. Our results also show that the spherical-like and cylindrical phases occupy most of the region in the phase diagram, and the lamellar phase is found stable only at the high volume fraction of the rod.

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A new method of measuring the mean size of solvent clusters in swollen polymer membrane is presented in this paper. This method is based on a combination of inverse gas chromatography (IGC) and equilibrium swelling. The mechanism is that weight fraction activity coefficient of solvent in swollen polymer is influenced by its clusters size. The mean clusters size of solvent in swollen polymer can be calculated as the quotient of the weight fraction activity coefficient of clustering system dividing the weigh fraction activity coefficient of non-clustering system. In this experiment, the weigh fraction activity coefficient of non-clustering system was measured with IGC. Methanol, ethanol and polyimide systems were tested with the new method at three temperatures, 20, 40, and 60degreesC. The mean clusters size of methanol in polyimide was five, four, and three at each temperature condition, respectively. Ethanol did not form clusters (the mean clusters size was one). In contrast to the inherent narrow temperature range in DSC, XRD, and FTIR methods, the temperature range in IGC and equilibrium swelling is broad. Compared with DSC. XRD. and FTIR, this new method can detect the clusters of solvent-polymer system at higher temperature.

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Singular value decomposition - least squares (SVDLS), a new method for processing the multiple spectra with multiple wavelengths and multiple components in thin layer spectroelectrochemistry has been developed. The CD spectra of three components, norepinephrine reduced form of norepinephrinechrome and norepinephrinequinone, and their fraction distributions with applied potential were obtained in three redox processes of norepinephrine from 30 experimental CD spectra, which well explains electrochemical mechanism of norepinephrine as well as the changes in the CD spectrum during the electrochemical processes.

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A new and efficient extraction method of endohedral metallofullerenes, especially of rare-earth elements encapsulated metallofullerenes, has been reported in this paper. Soxhlet-extraction of raw soot with toluene was used in the first step to wash away most accompanying C-60, C-70. Then pyridine was chosen as solvent to obtain high-temperature and high pressure extract. Two kinds of extract were analysed by DEI-MS and LDI-MS, the results indicate that this two-step method can provide the extract which has the highest fraction of endohedral metallofullerenes. So it will greatly simplify the following separation and purification processes of metallofullerenes.

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Reduction of hydrogen peroxide at a glassy carbon (GC) electrode modified with sigma-bonded pyrrole iron(III) octaethylporphyrin complex, (OEP)Fe(Pyr), was studied by cyclic voltammetry and a rotating disk electrode. In 0.1N NaOH solution, it is shown that such an (OEP)Fe(Pyr)/GC electrode has a significant catalytic activity towards hydrogen peroxide reduction (E(D) = -0.80 V, k = 0.066 cm s(-1)); however, the electrode stability is low. The deactivation is observed when the reaction charge (Q) is passing through the (OEP)Fe(Pyr)/GC disk electrode. A linear rotation scan method is applied to study the kinetic process by determining the disk electrochemical response (i(D)) to rotation rate (omega) at a definite disk potential (E(D)). Considering that the number of adsorbed electroreduced catalyst molecules (Red) varies according to the disk potential, a factor theta(= Gamma(Red)/(Gamma(Red) + Gamma(Ox))) is introduced to describe the electrode surface area fraction for electroreduced species. The obtained Koutecky-Levich equation is applicable whatever the potential is.