EXPERT-SYSTEM FOR ELUCIDATION OF STRUCTURES OF ORGANIC-COMPOUNDS

An expert system for the elucidation of the structures of organic compounds-ESESOC-II has been designed. It is composed of three parts: spectroscopic data analysis, structure generator, and evaluation of the candidate structures. The heart of ESESOC is the structure generator, as an integral part, which accepts the specific types of information, e.g. molecular formulae, substructure constraints, and produces an exhaustive and irredundant list of candidate structures. The scheme for the structural generation is given, in which the depth-first search strategy is used to fill the bonding adjacency matrix (BAM) and a new method is introduced to remove the duplicates.

Mechanism of induced reaction during XPS depth profile measurements of CeO2/Si films grown by ion beam epitaxy

In a search for the mechanism of the induced reduction reaction that occurred in X-ray photoelectron Spectroscopy (XPS) depth profiles measured experimentally on CeO2/Si epilayers grown by ion beam epitaxy (IBE), several possibilities have been checked. The first possibility, that the X-ray induces the reaction, has been ruled out by experimentation. Other possible models for the incident-ion induced reaction, one based on short-range interaction (direct collision) and the other based on long-range potential accompanied with the incident-ions, have been tested by simulation on computer. The results proved that the main mechanism is the former, not the latter. (C) 1998 Elsevier Science Ltd. All rights reserved.

Absorbance kinetics of dye-doped systems with photochemical first order kinetics

Often it is assumed that absorbance decays in photochromic materials with the time dependence of the photochemical kinetics, i.e. exponentially for first order kinetics. Although this may hold in the limiting case of vanishing absorbance, deviations are to be expected for realistic samples, because the local photochemical kinetics slows down with increasing initial absorption and penetration depth of the radiation. We discuss the theory of the kinetics of initially homogeneous photochromic samples and derive analytical solutions. In extension of Tomlinson's theory we find an analytical solution that holds with good approximation even for samples that exhibit a small residual absorption in the saturation limit. The theoretical time dependence of the absorbance originating from photochemical first order kinetics of dye-doped systems is compared with experimental data published by Lafond et al. for fulgides doped in different polymer matrices. (c) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optimized sinusoidal phase mask to extend the depth of field of an incoherent imaging system

Wavefront coding is a powerful technique that can be used to extend the depth of field of an incoherent imaging system. By adding a suitable phase mask to the aperture plane, the optical transfer function of a conventional imaging system can be made defocus invariant. Since 1995, when a cubic phase mask was first suggested, many kinds of phase masks have been proposed to achieve the goal of depth extension. In this Letter, a phase mask based on sinusoidal function is designed to enrich the family of phase masks. Numerical evaluation demonstrates that the proposed mask is not only less sensitive to focus errors than cubic, exponential, and modified logarithmic masks are, but it also has a smaller point-spread-function shifting effect. (C) 2010 Optical Society of America

Factors influencing the climatological mixed layer depth in the South China Sea: numerical simulations

The mixed layer depth (MLD) in the upper ocean is an important physical parameter for describing the upper ocean mixed layer. We analyzed several major factors influencing the climatological mixed layer depth (CMLD), and established a numerical simulation in the South China Sea (SCS) using the Regional Ocean Model System (ROMS) with a high-resolution (1/12A degrees x1/12A degrees) grid nesting method and 50 vertical layers. Several ideal numerical experiments were tested by modifying the existing sea surface boundary conditions. Especially, we analyzed the sensitivity of the results simulated for the CMLD with factors of sea surface wind stress (SSWS), sea surface net heat flux (SSNHF), and the difference between evaporation and precipitation (DEP). The result shows that of the three factors that change the depth of the CMLD, SSWS is in the first place, when ignoring the impact of SSWS, CMLD will change by 26% on average, and its effect is always to deepen the CMLD; the next comes SSNHF (13%) for deepening the CMLD in October to January and shallowing the CMLD in February to September; and the DEP comes in the third (only 2%). Moreover, we analyzed the temporal and spatial characteristics of CMLD and compared the simulation result with the ARGO observational data. The results indicate that ROMS is applicable for studying CMLD in the SCS area.