Hydrogen peroxide promoted hydroxylation of haloarenes and heteroarenes

Addition of aqueous hydrogen peroxide significantly accelerates the substitution reactions of hydroxide salts with haloarenes bearing electron withdrawing substituents. A similar effect is observed in the reactions of hydroxide salts with halogenated heteroarenes. Reactions are carried out in water or water-THF at ambient temperature or at 50-60 °C.     

Anisotropy of two-photon absorption in gallium selenide at 1064 nm

The Bridgman method is used to grow single crystals of ε-GaSe. The two-photon absorption (TPA) coefficient β was measured for especially un-doped crystals at room temperature for the ordinary o-ray (β_⊥) and extraordinary e-ray (β_∥) using single-wavelength excitation by a Nd:YVO₄ laser at 1.064 μm with a pulse duration of 10 ps and a repetition rate of 81 MHz. No large anisotropy was observed for the TPA coefficients between the two geometries. The TPA coefficients were found to be β_⊥ = 1.07 × 10⁻⁹ cm/W and β_∥ = 1.88 × 10⁻⁹ cm/W. It was found that doping slightly increases the TPA coefficient. The value of the TPA for crystals doped with 0.5 at.% of Tl is β_⊥ = 7.56 × 10⁻⁹ cm/W.     

Asymptotic optimality of the bayes estimator in models differentiable in quadratic mean

We study the asymptotic properties of the Bayes estimator in models differentiable in quadratic mean (DQM) in the case of independent and identically distributed observations. The goal is to define weak assumptions on the model under which this estimator is asymptotically efficient, regular, and asymptotically of minimal risk. The results of the paper are applied to models based on a mixture distribution, the Cauchy distribution with location and scale parameter, and the Weibull distribution. Bibliography: 10 titles. Published in Zapiski Nauchnykh Seminarov POMI, Vol. 328, 2005, pp. 114–146.     

Electron spin resonance of diluted solid solutions of MnO2 in Y2O3

Electron spin resonance spectra of Mn²⁺ in diluted solid solutions of MnO₂ in Y₂O₃ have been studied at room temperature for Mn concentrations between 0.20 and 2.00 mol%. Isolated Mn²⁺ ions in sites with two different symmetries were observed, as well as Mn²⁺ ions coupled by the exchange interaction. The relative concentration of isolated to coupled Mn²⁺ ions decreases with increasing manganese concentration. The results are consistent with the assumption that the manganese ions occupy preferentially the C₂ symmetry sites. A theoretical calculation based on this model yields an effective range of the exchange interaction between Mn²⁺ ions of 0.53 nm, of the same order as that of Mn²⁺ ions in CaO.     

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     

Generic replica symmetric field-theory for short range Ising spin glasses

Symmetry considerations and a direct, Hubbard-Stratonovich type, derivation are used to construct a replica field-theory relevant to the study of the spin glass transition of short range models in a magnetic field. A mean-field treatment reveals that two different types of transitions exist, whenever the replica number n is kept larger than zero. The Sherrington-Kirkpatrick critical point in zero magnetic field between the paramagnet and replica magnet (a replica symmetric phase with a nonzero spin glass order parameter) separates from the de Almeida-Thouless line, along which replica symmetry breaking occurs. We argue that for studying the de Almeida-Thouless transition around the upper critical dimension d = 6, it is necessary to use the generic cubic model with all the three bare masses and eight cubic couplings. The critical role n may play is also emphasized. To make perturbative calculations feasible, a new representation of the cubic interaction is introduced. To illustrate the method, we compute the masses in one-loop order. Some technical details and a list of vertex rules are presented to help future renormalisation-group calculations. Received 9 October 2001     

Nonlinear optical parameters and optical limitation in cobalt-doped polyvinylpyrrolidone solutions

Nonlinear optical parameters (nonlinear refractive indices and nonlinear absorption coefficients) of solutions of polyvinylpyrrolidone doped by cobalt to various concentrations are measured at the lasing and second-harmonic wavelengths of a picosecond Nd:YAG laser (λ=1064 and 532 nm, respectively, and τ=35 ps). Data on optical limitation in these solutions are presented. The absence of nonlinear absorption in the IR spectral range and its significant effect in the visible range are demonstrated. Optical limitation at a wavelength of 1064 nm is related to defocusing, whereas at 532 nm, this effect is caused by two-photon absorption and partially by inverse saturated absorption and defocusing. Nonlinear optical parameters of metal-polymer complexes are reported.     

Momentum transport and torque scaling in Taylor-Couette flow from an analogy with turbulent convection

We generalize an analogy between rotating and stratified shear flows. This analogy is summarized in Table 1. We use this analogy in the unstable case (centrifugally unstable flow vs. convection) to compute the torque in Taylor-Couette configuration, as a function of the Reynolds number. At low Reynolds numbers, when most of the dissipation comes from the mean flow, we predict that the non-dimensional torque G = T/ν² L, where L is the cylinder length, scales with Reynolds number R and gap width η, G = 1.46η^3/2(1 - η)^-7/4 R ^3/2. At larger Reynolds number, velocity fluctuations become non-negligible in the dissipation. In these regimes, there is no exact power law dependence the torque versus Reynolds. Instead, we obtain logarithmic corrections to the classical ultra-hard (exponent 2) regimes: G = 0.50 . These predictions are found to be in excellent agreement with avail-able experimental data. Predictions for scaling of velocity fluctuations are also provided. Received 7 June 2001 and Received in final form 7 December 2001     

Effect of gamma irradiation on photoconversion characteristics of metal/gallium arsenide barrier structures with textured interface

The effect of ⁶⁰Co gamma irradiation at doses of 10³-2×10⁵ Gy on the photoconversion and dark I-V characteristics of Au/GaAs surface-barrier solar cells (SCs) is studied. The morphology of the interface microrelief is varied to reach the highest photoconversion efficiency. Of the two types of microrelief morphology (dendritic and quasi-grating) obtained by the chemical anisotropic etching of n-(100)GaAs, the latter is more promising, particularly for SCs designed for space application, since the associated SCs offer higher efficiency and radiation resistance.