Validation of a computer-program for the interpretation of infrared spectra

The capability of a modern interpretation system for IR spectra has been tested, in which the process of structural assignment is modelled by methods of fuzzy logic. Figures of merit were generated for different interpretation algorithms. These figures of merit permit the validation as well as a comparison of independent interpretation systems. The influence of the sample preparation practice onto the information content of the resulting spectrum has been evaluated as well. Automatically generated band tables show only restricted reliability. Received: 13 February 1997 / Revised: 1 April 1997 / Accepted: 3 April 1997     

Ionization potentials and geometrical structure of pure and oxygenated barium clusters

In this article, we present results obtained on structures of small bare and oxygenated barium clusters produced by the laser vaporization technique. Contrary to the very weak Ba—Ba binding (0.202 eV), the Ba—O binding is rather strong (5.8 eV). As a consequence, extremely small amounts of oxygen in the cluster source are sufficient to induce the nucleation of oxygenated barium clusters. Surprisingly, at least for substoechiometric systems, Ba_nO_m clusters exhibit the same icosahedral structure as bare clusters do. Mass spectra seem to indicate that replacing a barium atom with a strongly polar BaO molecule does not affect the geometrical structure of the cluster. This aspect is more easily understandable if we assume that the oxygen atom takes place inside the structure of the Ba_n cluster without significant distortions. Ab-initio calculations have been undertaken in order to give a satisfactory account of this hypothesis.     

Almost-Sure Central Limit Theorem for Directed Polymers and Random Corrections

We consider a general model of directed polymers on the lattice , weakly coupled to a random environment. We prove that the central limit theorem holds almost surely for the discrete time random walk X _T associated to the polymer. Moreover we show that the random corrections to the cumulants of X _T are finite, starting from some dimension depending on the index of the cumulants, and that there are corresponding random corrections of order , , in the asymptotic expansion of the expectations of smooth functions of X _T . Full proofs are carried out for the first two cumulants. We finally prove a kind of local theorem showing that the ratio of the probabilities of the events to the corresponding probabilities with no randomness, in the region of “moderate” deviations from the average drift bT, are, for almost all choices of the environment, uniformly close, as , to a functional of the environment “as seen from (T,y)$”. Received: 14 October 1996 / Accepted: 28 March 1997     

Resonance enhancement of diffuse scattering of x-rays in a waveguide heterostructure

The diffuse scattering of x rays in a four-layer waveguide-type heterostructure is investigated. The dynamic enhancement of diffuse scattering is detected experimentally in regions corresponding to the excitation of waveguide modes for both the incident and scattered waves. Pis’ma Zh. éksp. Teor. Fiz. 66, No. 4, 219–223 (25 August 1997)     

The effect of radiofrequency modulation of 57Fe hyperfine interaction by rotating magnetic field

The effect of ⁵⁷Fe hyperfine interaction radiofrequency (rf) modulation by external rotating magnetic field was studied in thin Permalloy foil by means of Mössbauer spectroscopy. The rf effect was investigated as a function of intensity for several rf field frequencies. The experiments show that the external rotating rf field causes considerable changes in the hyperfine pattern. The obtained spectra are in disagreement with those obtained by Perlow [Phys. Rev. 172 (1968) 319]. They also are inconsistent with magnetostriction hypothesis. Proceeding from the Mössbauer spectrum analysis one may conclude that the magnetization of investigated foil changes its direction in a complex manner. However, the undertaken experiments show that the essential number of Mössbauer nuclei experience the rotating magnetic field influence.