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.     

Investigations of Solid State Dynamics at the NRSSR Beamline at PETRA II. An Overview

The present status of the new nuclear resonance beamline PETRA 1 at HASYLAB, DESY, Hamburg is described. Besides an overview of the experimental setup some examples of recent experiments are given. Those cover the main applications, i.e., inelastic scattering from iron alloys and quasielastic scattering from glass-forming liquids. This revised version was published online in August 2006 with corrections to the Cover Date.     

Observation of dielectronic satellites in the K-spectrum of argon ions in plasma produced by femtosecond laser pulses

The satellite structure of 1s2p ^1,3 P ₁-1s ²¹ S ₀ lines of the He-like argon ion in plasma produced by a 45-fs laser pulse in a gas-jet cluster target is measured with a high spectral resolution. Radiation transitions 2p → 1s from autoionizing states (AISs) are detected for ions ranging from Li-like to F-like. The spectrum observed is theoretically simulated with the use of the spectroscopic data for the AISs of multicharged ions obtained within the multiconfiguration relativistic Hartree-Fock method. Good agreement with experimental data is obtained when the main population channels of these states are taken into account for typical values of cluster-target plasma parameters.     

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     

The plasticity of the Cu(H2O) 6 2+ Jahn-Teller complex affected by lattice strains and cooperative interactions

The EPR spectra evolution of Cs₂Zn_1?x Cu_x(ZrF₆)₂ · 6H₂O (x=0.01, 0.6, 0.8, and 1.0) in the temperature range 4.2–330 K and the x-ray structure analysis of the compound with x=1.0 in the range 150–327 K show that the Jahn-Teller (JT) complex Cu(H₂O)₆ coordination sphere undergoes a plastic deformation. The observed effect is due to the combined influence of small lattice strains existing in the paraphase and a new one appearing as a result of a ferroelastic phase transition and increasing with decreasing temperature below T _c . It is proved that both cooperative interactions between JT complexes and ferroelastic strain stabilize a certain JT configuration. The problem of instability of a JT configuration compressed at T ～ 265 K is discussed.     

Probe measurements in a discharge with liquid nonmetallic electrodes in air at atmospheric pressure

Discharges with liquid nonmetallic electrodes of much interest for applications are investigated. It is found that a dc discharge between two streams of tap water in air at atmospheric pressure is stable at a currentof 40≤I≤100 mA. The discharge exists in the diffuse (volume) form with a relatively low current density (∼0.2 A/cm²) and a high (above one kilovolt) voltage drop across the air gap (∼1 cm) between the water electrodes. The current density and voltage depend only slightly on the discharge current. Probe measurements show that three regions can be distinguished in the discharge: two electrode regions (1–2 mm in length) and a discharge column with a constant electric field of ≈0.8 kV/cm (i.e., E/N≈20 Td, because the gas in the discharge is heated up to 1500–2000 K). The average electric field strength near the electrodes is E≈2–3×10³ V/cm (E/N≈60–80 Td). The charged particle density in the column is n ∼ 10¹² cm⁻³. The probe measurements of n agree with the previous microwave absorption measurements. The water vapor concentration in the column is also estimated from probe measurements.     

Calculations of the Pressure of Polymorphic Transformation in Small Alkali-Halide Crystals

The present paper analyzes the properties of structural phase transitions under the extremal conditions of high pressures. In the context of the theory of density functional (TDF), the pressures of the B1–B2 transitions are calculated for small alkali-halide crystals as functions of the crystal size. The size effect of the B1–B2 transition – an increase in the transition pressure with the decreasing crystal grain radius – has been established for all investigated halides except lithium fluoride for which the dependence is reverse.     

On the Determination of the Absolute Intensities of Vibrational-Rotational Lines of XY3 Molecules with C 3v Symmetry

Analytical formulas are derived that describe the dependences of the transition probabilities in vibrational-rotational spectra of XY₃-type molecules with C _3v symmetry on the rotational quantum numbers.     

The electrical resistivity of some uranium tellurides

Electrical resistivity of U₃Tein4, U₂Te₃ (cubic) and UTe₃ has been measured over temperature range 4.2–300 K. The two former compounds appear to be semimetallic conductors while the last one has semiconducting character. The results are discussed in the terms of available magnetic data.     

Franck-Condon factors and relative strengths of the c1Σu → α1Δg,c1Σu → X3Σg electronic transitions in the O2 molecule

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 54, No. 1, pp. 46–50, January, 1991.