947 resultados para COMPOUND-I FORMATION


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The influence of the turbulence-chemistry interaction (TCI) for n-heptane sprays under diesel engine conditions has been investigated by means of computational fluid dynamics (CFD) simulations. The conditional moment closure approach, which has been previously validated thoroughly for such flows, and the homogeneous reactor (i.e. no turbulent combustion model) approach have been compared, in view of the recent resurgence of the latter approaches for diesel engine CFD. Experimental data available from a constant-volume combustion chamber have been used for model validation purposes for a broad range of conditions including variations in ambient oxygen (8-21% by vol.), ambient temperature (900 and 1000 K) and ambient density (14.8 and 30 kg/m3). The results from both numerical approaches have been compared to the experimental values of ignition delay (ID), flame lift-off length (LOL), and soot volume fraction distributions. TCI was found to have a weak influence on ignition delay for the conditions simulated, attributed to the low values of the scalar dissipation relative to the critical value above which auto-ignition does not occur. In contrast, the flame LOL was considerably affected, in particular at low oxygen concentrations. Quasi-steady soot formation was similar; however, pronounced differences in soot oxidation behaviour are reported. The differences were further emphasised for a case with short injection duration: in such conditions, TCI was found to play a major role concerning the soot oxidation behaviour because of the importance of soot-oxidiser structure in mixture fraction space. Neglecting TCI leads to a strong over-estimation of soot oxidation after the end of injection. The results suggest that for some engines, and for some phenomena, the neglect of turbulent fluctuations may lead to predictions of acceptable engineering accuracy, but that a proper turbulent combustion model is needed for more reliable results. © 2014 Taylor & Francis.

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Using first-principles methods, we systematically study the mechanism of defect formation and electronic structures for 3d transition-metal impurities (V, Cr, Mn, Fe, and Co) doped in silicon nanowires. We find that the formation energies of 3d transition-metal impurities with electrons or holes at the defect levels always increase as the diameters of silicon nanowires decrease, which suggests that self-purification, i.e., the difficulty of doping in silicon nanowires, should be an intrinsic effect. The calculated results show that the defect formation energies of Mn and Fe impurities are lower than those of V, Cr, and Co impurities in silicon nanowires. It indicates that Mn and Fe can easily occupy substitutional site in the interior of silicon nanowires. Moreover, they have larger localized moments, which means that they are good candidates for Si-based dilute magnetic semiconductor nanowires. The doping of Mn and Fe atom in silicon nanowires introduces a pair of energy levels with t(2) symmetry. One of which is dominated by 3d electrons of Mn or Fe, and the other by neighboring dangling bonds of Si vacancies. In addition, a set of nonbonding states localized on the transition-metal atom with e symmetry is also introduced. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3000445]

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Visible-blind p-i-n avalanche photodiodes (APDs) were fabricated with high-quality GaN epilayers deposited on c-plane sapphire substrates by metal-organic chemical vapour deposition. Due to low dislocation density and a sophisticated device fabrication process, the dark current was as small as similar to 0.05 nA under reverse bias up to 20V for devices with a large diameter of 200 mu m, which was among the largest device area for GaN-based p-i-n APDs yet reported. When the reverse bias exceeded 38V the dark current increased sharply, exhibiting a bulk avalanche field-dominated stable breakdown without microplasma formation or sidewall breakdown. With ultraviolet illumination (360 nm) an avalanche multiplication gain of 57 was achieved.

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Separation by implantation of oxygen and nitrogen (SIMON) silicon-on-insulator (SOI) materials were fabricated by sequential oxygen and nitrogen implantation with annealing after each implantation. Analyses of SIMS, XTEM and HRTEM were performed. The results show that superior buried insulating multi-layers were well formed and the possible mechanism is discussed. The remarkable total-dose irradiation tolerance of SIMON materials was confirmed by few shifts of drain leakage current-gate source voltage (I-V) curves of PMOS transistors fabricated on SIMON materials before and after irradiation.

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Polycrystalline nano-grain-boundary multi-doping ZnO-based nonlinear varistors with higher concentration additives have been fabricated by sol-gel and standard solid-state reaction method, of which the best sample has a very high threshold voltage of E-b = 3300 V/mm. The effect of sintering processes, sintering temperature and sintering time, and that of additive concentration of Bi2O3 on E-b of the samples are systematically investigated. The results show that the great merit of sol-gel method is its high threshold voltage obtained by a lower sintering temperature than the solid-state reaction method. The present work also shows that five phases including solid-state sintering, rich Bi liquid phase formation and ZnO as well as other additive dissolution, ZnO grain growth, the secondary phase sufficient formation and evolution have been experienced at different sintering temperatures. The hole type defect and nonhomogeneity of the microstructure will lead to the decrease of threshold voltage, i.e., the grain size and the homogeneity of the material will be important factors and directly affect the characteristic of the varistor. The sintering characteristic and the influence of Bi2O3 content on the threshold voltage are also discussed. (c) 2004 Elsevier B.V. All rights reserved.

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Silicon nanoparticles have been fabricated in both oxide and nitride matrices by using plasma-enhanced chemical vapour deposition, for which a low substrate temperature down to 50 degreesC turns out to be most favourable. High-rate deposition onto such a cold substrate results in the formation of nanoscaled silicon particles, which have revealed an amorphous nature under transmission electron microscope (TEM) examination. The particle size can be readily controlled below 3.0 nm, and the number density amounts to over 10(12) cm(-2), as calculated from the TEM micrographs. Strong photoluminescence in the whole visible light range has been observed in the as-deposited Si-in-SiOx and Si-in-SiNx thin films. Without altering the size or structure of the particles, a post-annealing at 300 degreesC for 2 min raised the photoluminescence efficiency to a level comparable to the achievements with nanocrystalline Si-in-SiO2 samples prepared at high temperature. This low-temperature procedure for fabricating light-emitting silicon structures opens up the possibility of manufacturing integrated silicon-based optoelectronics.

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Carbon ions were implanted into crystal Si to a concentration of (0.6-1.5)at% at room temperature. Some samples were pre-irradiated with S-29(i)+ ions, while others were not pre-irradiated. Then the two kinds of samples were implanted with C-12(+) ions simultaneously, and Si1-xCx alloys were grown by solid phase epitaxy with high-temperature annealing. The effects of preirradiation on the formation of Si1-xCx alloys were studied. If the dose of implanted C ion was less than that for amorphizing Si crystals, the implanted C atoms would like to combine with defects produced during implantation, and then it was difficult for Si1-xCx alloys to form after annealine, at 950 degreesC. Pre-irradiation was advantageous for Si1-xCx alloy formation. With the increase of C ion dose, the damage produced by C ions increased. Pre-irradiation was unfavorable for Si1-xCx, alloy formation. If the implanted C concentration was higher than that for solid phase epitaxy solution, only part of the implanted C atoms form Si1-xCx alloys and the effects of pre-irradiation could be neglected. As the annealing temperature was increased to 1050 degreesC, Si1-xCx alloys in both pre-irradiated and unpreirradiated samples of low C concentration remained, whereas most part of Si1-xCx alloys in samples with high C concentration vanished.

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Point defects in III-V compound semiconductors were analyzed systematically in this paper. The effects of substitutes, antisites, interstitials, and vacancies on lattice parameters in III-V compound semiconductors were calculated with a simple model. The formation energies of vacancies in compound semiconductors can be obtained by this calculation. A practical technique established on this model has been utilized for measuring the stoichiometry in GaAs. The relationship between stoichiometry and deep level centers in GaAs was also investigated.

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Hydrostatic pressure measurements are used to investigate the formation mechanism of electric field domains in doped weakly-coupled GaAs/AlAs superlattices. For the first plateau-like region in the I-V curve, two kinds of sequential resonant tunnelling are observed. For P<2 kbar the high-field domain is formed by the Gamma-Gamma process, while for P>2 kbar the high-field domain is formed by the T-X process. For the second plateau-libe region, the high-field domain is attributed to Gamma-X sequential resonant tunnelling. (C) 1998 Elsevier Science B.V. All rights reserved.

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Concentrated photovoltaic systems (CPVSs) draw more and more attention because of high photovoltaic conversion efficiency, low consumption of solar cell, and low cost of power generation. However, the fallibility of the tracker in such systems has hindered their practical application for more than twenty years. The tracker is indispensable for a CPVS since only normal-incident sunlight can be focused on the solar cell chips, even a slight deviation of incident light will result in a significant loss of solar radiation, and hence a distinct decrease in electricity output. Generally, the more accurate the tracker is, the more reliable the system is. However, it is not exactly the case for a CPVS reliability, because the more accurate the tracker is, the better environment it demands. A CPVS is usually has to subjected to harsh environmental conditions, such as strong wind, heavy rain or snow, and huge changes of temperature, which leads to the invalidation of the system's high-accuracy tracker. Hence, the reliability of a CPVS cannot be improved only by enhancing the tracker's accuracy. In this paper, a novel compound concentrator, combination of Fresnel lens and photo-funnel, has been adopted in a prototype CPVS. Test results show that the compound concentrator can relax the angle tolerance from one tenth to five degrees of arc at 400 suns, which can help a CPVS endure serious environment and remain its reliability over long period. The CPVS with compound concentrator is attractive for commercial application.

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With naphthalene as biomass tar model compound, partial oxidation reforming (with addition of O-2) and dry reforming of biomass fuel gas were investigated over nickel-based monoliths at the same conditions. The results showed that both processes had excellent performance in upgrading biomass raw fuel gas. Above 99% of naphthalene was converted into synthesis gases (H-2+CO). About 2.8 wt% of coke deposition was detected on the catalyst surface for dry reforming process at 750 degrees C during 108 h lifetime test. However, no Coke deposition was detected for partial oxidation reforming process, which indicated that addition of O-2 can effectively prohibit the coke formation. O-2 Can also increase the CH4 conversion and H-2/CO ratio of the producer gas. The average conversion of CH4 in dry and partial oxidation reforming process was 92% and 95%, respectively. The average H-2/CO ratio increased from 0.95 to 1.1 with the addition of O-2, which was suitable to be used as synthesis gas for dimethyl ether (DME) synthesis.

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Hydrostatic pressure measurements are used to investigate the formation mechanism of electric field domains in doped weakly-coupled GaAs/AlAs superlattices. For the first plateau-like region in the I-V curve, two kinds of sequential resonant tunnelling are observed. For P<2 kbar the high-field domain is formed by the Gamma-Gamma process, while for P>2 kbar the high-field domain is formed by the T-X process. For the second plateau-libe region, the high-field domain is attributed to Gamma-X sequential resonant tunnelling. (C) 1998 Elsevier Science B.V. All rights reserved.

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Within the concept of the dinuclear system (DNS), a dynamical model is proposed for describing the formation of superheavy nuclei in complete fusion reactions by incorporating the coupling of the relative motion to the nucleon transfer process. The capture of two heavy colliding nuclei, the formation of the compound nucleus, and the de-excitation process are calculated by using an empirical coupled channel model, solving a master equation numerically and applying statistical theory, respectively. Evaporation residue excitation functions in cold fusion reactions are investigated systematically and compared with available experimental data. Maximal production cross sections of superheavy nuclei in cold fusion reactions with stable neutron-rich projectiles are obtained. Isotopic trends in the production of the superheavy elements Z=110, 112, 114, 116, 118, and 120 are analyzed systematically. Optimal combinations and the corresponding excitation energies are proposed.

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The dissociation and isomerization reaction mechanism on the ground-state potential energy surface for CH2ClI are investigated by ab initio calculations. It is found that the isomer iso-CH2I-Cl can be produced from either the recombination of the photodissociation. fragments or the isomerization reaction of CH2ClI, rather than from isomerization reaction of iso-CH2Cl-I. Further explanations of experimental results are also presented. (C) 2003 Wiley Periodicals, Inc.