Simulation of dynamics of phase transitions in CdTe by pulsed laser irradiation

Numerical simulation of melting and solidification processes induced in CdTe by nanosecond radiation of ruby laser (λ = 694 nm, τ = 20 and 80 ns) and KrF excimer laser (λ = 248 nm, τ = 20 ns) taking into account components diffusion in melt and their evaporation from the surface has been carried out. Cd atoms evaporation has shown to essentially affect the dynamics of phase transitions in the near-surface region. Thus, in the case of the influence of ruby laser irradiation intensive surface cooling results in the formation of nonmonotone temperature profile with maximum temperature in semiconductor volume at the distance of ∼20 nm from the surface. The melt formed under the surface extends both to the surface and to the semiconductor volume as well. As a result of cadmium telluride components evaporation and diffusion in the melt the near-surface region is enriched with tellurium. The obtained melting threshold value of irradiation energy density is in a reasonable agreement with experimental data.     

Rectification of sets in Euclidean spaces

We criticize traditional definitions of the arc length which require semi-continuity from below. Symmetric definitions of lower and uppern-lengths (n-dimensional volumes) are introduced for a wide class of sets in Euclidean spaces, and the additivity of both functionals is proved.     

Photoelectron spectra and electronic structure of derivatives of imidazoline

We have obtained for the first time the photoelectron spectra (PES) of 20 diamagnetic and paramagnetic derivatives of imidazole. On the basis of calculations in the MNDO approximation, analysis of the vibrational structure, and comparisons in a series we have interpreted the bands in the range 7–11 eV. In the nitroxyl radicals of 3-imidazoline the highest occupied molecular orbital is the _NO ^* orbital, having also a contribution on the C⁴ atom. On introducing N-oxide groups there is a considerable rearrangement of the electronic structure of the radicals. In the PES of the nitroxyl radicals of 3-imidazoline-3-oxide there is multiplet splitting of the ionization band of the n_o·MO, amounting to 0.3–0.4 eV. Replacement of the methyl groups on the C² atom by methoxyl groups leads to an increase in the interactions of the unshared pairs of the O atoms of the nitronium and nitroxyl groups, while the same replacement on the C⁵ atoms leads to a considerable decrease in this interaction. When the substituent on the N¹ atom in derivatives of 3-imidazoline-3-oxide is varied the energy of ionization of the _C-NO MO decreases in the series: CH₃ < H OH < O < NO.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 8, pp. 1769–1777, August, 1990.     

Competitive methylation of some phenolic compounds

The competitive methylation of a mixture of 6-hydroxy-4-methylcoumarin and of 7-hydroxy-4-methylcoumarin and also of other compounds of phenolic nature has been studied. It had ben shown that in the presence of 1 mole of alkali, methylation of the more acidic hydroxyl takes place at the oxygen atom, and with 2 moles of alkali, the stronger conjugated base reacts.     

Kinematics of rigidly rotating spiral waves

Spiral waves rigidly rotating in excitable media are studied by use of a free-boundary approach. This study reveals the selection principle which determines the shape and the rotation frequency of spiral waves in an unbounded medium with a given excitability. It is shown that a rigidly rotating spiral in a medium with a strongly reduced refractoriness is supported within a range of the medium excitability restricted by two universal limits. At the low excitability limit the spiral core radius diverges, while at the high excitability limit it vanishes. The simulations performed for the medium excitability higher than the high excitability limit reveal nonstationary rotating waves, which considerably differ from well-studied meandering spiral waves. It is shown how the proposed free-boundary approach can be extended to the case of an arbitrary refractoriness. The predictions of the free-boundary approach are in good agreement with the results from numerical simulations of the underlying reaction-diffusion model and with asymptotics derived earlier for highly and weakly excitable media.     

Vortices and magnetic structures of the target type in a two-dimensional ferromagnet with anisotropic exchange

Various types of magnetic structure in a two-dimensional Heisenberg ferromagnet are considered in a continuum approximation. The effect of anisotropic exchange and single-ion anisotropy on the vortex structure is analyzed. A new type of static magnetic structure (“target”) is predicted and investigated in an easy-plane ferromagnet.     

Liquid-liquid distribution of B group vitamins in polyethylene glycol-based systems

General regularities of the liquid-liquid distribution of B₁, B₂, B₆, and B₁₂ vitamins in aqueous polyethylene glycol (PEG-2000, PEG-5000) solution-aqueous salt solution systems are studied. The influence of the salting-out agent, the concentration of the polymer, and its molecular weight on the distribution coefficients and recovery factors of the vitamins are considered. Equations relating the distribution coefficients (log D) to the polymer concentration are derived.