Numerical solutions of the shallow water equations with discontinuous bed topography

A simple scheme is developed for treatment of vertical bed topography in shallow water flows. The effect of the vertical step on flows is modelled with the shallow water equations including local energy loss terms. The bed elevation is denoted with z_b^‐ for the left and z_b⁺ for the right values at each grid point, hence exactly representing a discontinuity in the bed topography. The surface gradient method (SGM) is generalized to reconstruct water depths at cell interfaces involving a vertical step so that the fluxes at the cell interfaces can accurately be calculated with a Riemann solver. The scheme is verified by predicting a surge crossing a step, a tidal flow over a step and dam‐break flows on wet/dry beds. The results have shown good agreements compared with analytical solutions and available experimental data. The scheme is efficient, robust, and may be used for practical flow calculations. Copyright © 2002 John Wiley & Sons, Ltd.     

Numerical analysis of near electromagnetic fields of a parabolic cylinder and a paraboloid of revolution

Translated from Chislennye Metody Resheniya Obratnykh Zadach Matematicheskoi Fiziki, pp. 119–127.     

On the variational representation of solutions to some quasilinear equations and systems of hyperbolic type on the basis of potential theory

We demonstrate a method that permits to obtain generalized solutions for some quasilinear equations and systems of hyperbolic type. The corresponding variational principle is constructed using the theory of equilibrium of a potential in an external field. Dedicated to the memory of B. M. Levitan Supported by RFBR grants Nos. 05-01-00522 and NSh-1551.2003.1, by Program No. 1 of the Branch of Mathematics, Russian Academy of Sciences, and by INTAS project No. 03-51-6637.     

Direct C–H arylation of 3-methoxythiophene catalyzed by Pd. Application to a more efficient synthesis of π-alkoxy-oligothiophene derivatives

The direct regioselective C–H arylation of 3-methoxythiophene and 3,4-ethylenedioxythiophene (EDOT) was performed successfully under ‘Heck-type’ experimental conditions. This novel synthetic methodology has been used to prepare in a more simple way a series of oligothiophenes interesting for the electronic industry to build new synthetic organic materials.     

Stereocontrolled spirocyclic bislactams derived from pyroglutamic acid

The synthesis of rigid spirocyclic bislactams derived from pyroglutamic acid has been established.     

Portable and Automatic Mössbauer Analysis

A portable Mössbauer spectrometer, developed for extraterrestrial applications, opens up new industrial applications of MBS. But for industrial applications, an available tool for fast data analysis is also required, and it should be easy to handle. The analysis of Mössbauer spectra and their parameters is a barrier for the popularity of this wide-applicable spectroscopic technique in industry. Based on experience, the analysis of a Mössbauer spectrum is time-consuming and requires the dedication of a specialist. However, the analysis of Mössbauer spectra, from the fitting to the identification of the sample phases, can be faster using by genetic algorithms, fuzzy logic and artificial neural networks. Industrial applications are very specific ones and the data analysis can be performed using these algorithms. In combination with an automatic analysis, the Mössbauer spectrometer can be used as a probe instrument which covers the main industrial needs for an on-line monitoring of its products, processes and case studies. Some of these real industrial applications will be discussed.     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001