61 resultados para STATIONARY-POINTS

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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The density function theory was used to calculate the potential energy surface for the decomposition of CF3OF. The geometries, vibrational frequencies and energies of all stationary points were obtained. The calculated harmonic frequencies agreed well with the experimental ones. Three decomposition channels of CF3OF were studied. The calculated reaction enthalpy (29.85 kcal/mol) of the elimination reaction CF3OF --> CF2O + F-2 was in good agreement with the experimental value (27.7 kcal/mol). The O-F bond of CF3OF is broken easily by comparing the energies, while the decomposition channel to yield the CF30 and F radicals is the main reaction path. (C) 2002 Published by Elsevier Science B.V.

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This paper analyses the transient effect on ideally plastic stationary crack-tip fields under mode I plane strain conditions, when the inertial forces are not negligible. It is shown that the governing equation for such a problem can be expressed in formal simplicity when referred to a system of moving curvilinear coordinates, which is a generalization of the system defined by the slip-line field in quasi-static plasticity. A perturbation method of solving the equations is described and illustrated by application to problems of ideally plastic stationary crack-tip fields when the inertia forces are not negligible.

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This paper analyses the transient effect on ideally plastic stationary crack tip fields under mode I plane strain conditions, when the inertial forces are not negligible. It is shown that the governing equation for such a problem can be expressed in formal simplicity when referred to a system of moving curvilinear coordinates, which is a generalization of the system defined by the slip-line field in quasi-static plasticity. A perturbation method of solving the equations is described and illustrated by application to problems of ideally plastic stationary crack tip fields when the inertial forces are not negligible.

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A scale-similarity model for Lagrangian two-point, two-time velocity correlations LVCs in isotropic turbulence is developed from the Kolmogorov similarity hypothesis. It is a second approximation to the isocontours of LVCs, while the Smith-Hay model is only a first approximation. This model expresses the LVC by its space correlation and a dispersion velocity. We derive the analytical expression for the dispersion velocity from the Navier-Stokes equations using the quasinormality assumption. The dispersion velocity is dependent on enstrophy spectra and shown to be smaller than the sweeping velocity for the Eulerian velocity correlation. Therefore, the Lagrangian decorrelation process is slower than the Eulerian decorrelation process. The data from direct numerical simulation of isotropic turbulence support the scale-similarity model: the LVCs for different space separations collapse into a universal form when plotted against the separation axis defined by the model.

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The detection performance regarding stationary acoustic monitoring of Yangtze finless porpoises Neophocaena phocaenoides asiaeorientalis was compared to visual observations. Three stereo acoustic data loggers (A-tag) were placed at different locations near the confluence of Poyang Lake and the Yangtze River, China. The presence and number of porpoises were determined acoustically and visually during each 1-min time bin. On average, porpoises were acoustically detected 81.7 +/- 9.7% of the entire effective observation time, while the presence of animals was confirmed visually 12.7 +/- 11.0% of the entire time. Acoustic monitoring indicated areas of high and low porpoise densities that were consistent with visual observations. The direction of porpoise movement was monitored using stereo beams, which agreed with visual observations at all monitoring locations. Acoustic and visual methods could determine group sizes up to five and ten individuals, respectively. While the acoustic monitoring method had the advantage of high detection probability, it tended to underestimate group size due to the limited resolution of sound source bearing angles. The stationary acoustic monitoring method proved to be a practical and useful alternative to visual observations, especially in areas of low porpoise density for long-term monitoring.

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This paper discusses the algorithm on the distance from a point and an infinite sub-space in high dimensional space With the development of Information Geometry([1]), the analysis tools of points distribution in high dimension space, as a measure of calculability, draw more attention of experts of pattern recognition. By the assistance of these tools, Geometrical properties of sets of samples in high-dimensional structures are studied, under guidance of the established properties and theorems in high-dimensional geometry.

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he first order perturbations of the energy levels of a stationary hydrogen atom in a static external gravitational field, with Schwarzschild metric, are investigated. The energy shifts are calculated for the relativistic 1S, 2S, 2P, 3S, 3P, 3D, 4S, 4P, 4D, and 4F levels. The results show that the energy-level shifts of the states with total angular momentum quantum number 1/2 are all zero, and the ratio of absolute energy shifts with total angular momentum quantum number 5/2 is 145. This feature can be used to help us to distinguish the gravitational effect from other effects.

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A method involving self-concentration, on-column enrichment and field-amplified sample stacking for on-line concentration in capillary electrochromatography with a polymer monolithic column is presented. Since monolithic columns eliminate the frit fabrication and the problems associated with frits, the experimental conditions could be more flexibly adjusted to obtain higher concentration factor in comparison with conventional particulate packed columns. With self-concentration effect, the detection sensitivity of benzene and hexylbenzene is improved by a factor of 4 and 8, respectively. With on-column enrichment and ultralong injection, improvement as high as 22 000 times in detection sensitivity of benzoin is achieved. Furthermore, a combination of the three above-mentioned methods yields up to a 24000-fold improvement in detection sensitivity for caffeine, a charged compound. Parameters affecting the efficiency of on-line concentration are investigated systematically. In addition, equations describing on-line concentration process are deduced.

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Cellulose phenylcarbamate derivatives having methacrylate groups were synthesized with regioselective and non-regioselective procedures. These derivatives were chemically immobilized onto a vinylized silica gel, respectively, via a radical co-polymerization reaction. The immobilization was efficiently attained using a small amount of AIBN. The chiral recognition abilities of the prepared chiral stationary phases (CSPs) were evaluated by HPLC resolution of test enantiomers. It was observed that most of the enantiomers were completely resolved with markedly high column efficiency of 30,000-40,000 plates per metre for the eluted peaks. The effect of the amount of methacrylolyl chloride used for preparation on resolution was investigated. A direct comparison of the chiral recognition ability was made on the regioselectively and non-regioselectively prepared CSPs. In addition, the chemically bonded-type of CSPs were found to be relatively stable with addition of solvents such as tetrahydrofuran (THF) and chloroform into the mobile phase, which can lead to the dissolution of cellulose derivatives on the coated CSPs. Thus the choice of solvents used as the mobile phase is greatly extended and better resolution of several test enantiomers was observed on the prepared CSPs with THF and chloroform as a composition in the mobile phase. The batch-to-batch and run-to-run reproducibility was also discussed on the newly prepared CSPs. (C) 2004 Elsevier B.V. All rights reserved.