Simulation of interaction between a rarefied gas jet and an obstacle by the methods of molecular dynamics

An efficient method of direct numerical simulation is proposed. The steady-state flow field generated by the impingement of a gas jet on a wall is studied as an example. The numerical results obtained during this study are in good agreement with the numerical solutions of other authors.     

Nucleophilic addition to acetylenes in superbasic catalytic systems: XV. Vinylation of 2-hydroxymethylfuran

2-Hydroxymethylfuran reacted with acetylene in superbasic catalytic systems MOH-DMSO (M = Na, K) under mild temperature conditions (75–85°C, 1–2 h), yielding 80% of 2-vinyloxymethylfuran. The product, as well as acetaldehyde acetals derived therefrom, turned out to be promising as modifiers for electrolyte in lithium-sulfur rechargeable batteries.     

Solid-phase oxidative halodecarboxylation of β-arylacrylic acids with the ceric ammonium nitrate—alkali halide system

The solid-phase oxidation of cinnamic, 4-methoxy- and 3,4-dimethoxycinnamic acids with Ce(NH₄)₂(NO₃)₆—MHal system leads to β-halostyrenes. Similar procedure in the absence of a metal halide results in a cleavage of the C=C bond giving the corresponding benzaldehydes. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 114–118, January, 2008.     

Electrochemical synthesis of niobium compounds in anodic dissolution of ferroniobium in methanol

Anodic dissolution of ferroniobium in anhydrous methanol in the presence of sodium methylate was studied. The possibility of recovering pure hexamethoxyniobate from the electrolyzate and its conversion into niobium methylate with an iron content not exceeding 0.01% was analyzed.     

Pulsed laser deposition of atomically flat La1-xSrxMnO3 thin films using a novel target geometry

A new ablation target geometry is presented that was used to produce thin films of La_1-xSr_xMnO₃ grown heteroepitaxially on SrTiO₃ by pulsed reactive crossed-beam laser ablation. The films were grown in order to perform angle-resolved photoelectron spectroscopy, which demands that the surface be atomically flat. In situ and ex situ analysis shows that this condition was met, even after depositing to a thickness of over 100 nm. PACS 61.10.-i; 61.18.Bn; 68.47.Gh; 71.27.+a; 81.15.Fg     

Oscillator strength of a two-dimensional D ion in magnetic fields

In the present paper we determine the oscillator strength of two-dimensional (2D) D⁻ ions under the influence of a static magnetic field. The results are important for the analysis of the optical transitions observed in semiconductor quantum wells. We have applied the ab initio procedure Hyperspherical Adiabatic Approach, based on the use of hyperspherical coordinates. This approach uses an adiabatic separation of the total wave function that allows accurate energies determination from molecular-like potential curves. The convergence is obtained in a systematic way by the inclusion of non-adiabatic couplings without the need of adjustable parameters.     

On the Solution of Discontinuous IVPs by Adaptive Runge–Kutta Codes

In this paper an automatic technique for handling discontinuous IVPs when they are solved by means of adaptive Runge–Kutta codes is proposed. This technique detects, accurately locates and passes the discontinuities in the solution of IVPs by using the information generated by the code along the numerical integration together with a continuous interpolant of the discrete solution. A remarkable feature is that it does not require additional information on the location of the discontinuities. Some numerical experiments are presented to illustrate the reliability and efficiency of the proposed algorithms.     

Zur Bestimmung des St?rkegehaltes in der Gerste und in anderen Getreidearten

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