Alpha Cluster in Hartree-Fock Calculations

Hartree-Fock (HF) calculations have been performed fcr ¹²C nucleus assuming a trigonal D_3h equilibrium configuration. Different aspects including symmetry, kinds of two-body interactions are investigated. The HF calculations have been carried out using a velocity dependent effective potential of s-wave interaction. The results are compared with previous calculations. In all HF calculations no deviation from axial symmetry is obtained.     

Convergence behavior of interior-point algorithms

We show that most interior-point algorithms for linear programming generate a solution sequence in which every limit point satisfies the strict complementarity condition. These algorithms include all path-following algorithms and some potential reduction algorithms. The result also holds for the monotone complementarity problem if a strict complementarity solution exists. In general, the limit point is a solution that maximizes the number of its nonzero components among all solutions.Research supported in part by NSF Grant DDM-8922636, the Iowa Business School Summer Grant, and the Interdisciplinary Research Grant of the University of Iowa Center for Advanced Studies.     

Gas-phase thermolysis of benzotriazole derivatives. Part 3: Kinetic and mechanistic evidence for biradical intermediates in pyrolysis of aroylbenzotriazoles and related compounds

Gas-phase pyrolysis (static and FVP) of 1-aroylbenzotriazoles gave the corresponding substituted benzoxazole, benzimidazole, benzamide, N-phenylbenzamide, phenanthridin-6(5H)-one derivatives and 1-cyanocyclopentadiene. The present kinetic and mechanistic findings also provide further evidence of the involvement of biradical or carbene reactive intermediates in the reaction pathway of gas-phase pyrolysis of benzotriazoles.     

Effect of heat treatment on the optical and electrical transport properties of Ge15Sb10Se75 and Ge25Sb10Se65 thin films

The effect of heat treatment on the optical and electrical properties of Ge₁₅Sb₁₀Se₇₅ and Ge₂₅Sb₁₀Se₆₅ thin films in the range of annealing temperature 373-723 K has been investigated. Analysis of the optical absorption data indicates that Tauc's relation for the allowed non-direct transition successfully describes the optical processes in these films. The optical band gap (E_g^opt.) as well as the activation energy for the electrical conduction (ΔE) increase with the increase of annealing temperature (T_a) up to the glass transition temperature (T_g). Then a remarkable decrease in both the E_g^opt. and ΔE values occurred with a further increase of the annealing temperature (T_a>T_g). The obtained results were explained in terms of the Mott and Davis model for amorphous materials and amorphous to crystalline structure transformations. Furthermore, the deduced value of E_g^opt. for the Ge₂₅Sb₁₀Se₆₅ thin film is higher than that observed for the Ge₁₅Sb₁₀Se₇₅ thin film. This behavior was discussed on the basis of the chemical ordered network model (CONM) and the average value for the overall mean bond energy 〈E〉 of the amorphous system Ge_xSb₁₀Se_90−x with x=15 and 25 at%. The annealing process at T_a>T_g results in the formation of some crystalline phases GeSe, GeSe₂ and Sb₂Se₃ as revealed in XRD patterns, which confirms our discussion of the obtained results.     

Solution Properties of the Exopolysaccharide Produced by Pseudomonas Marginalis Strain HT041B 1

Abstract

The solution properties of the exopolysaccharide marginalan produced by Pseudomonas marginalis HT041B were investigated by means of low-angle laser light-scattering, capillary viscometry, and rheology. Potentiometric and viscosimetric data indicated the absence of a cooperative transition of the disorder-to-order type. The experimental findings obtained in dilute solution (Mark-Houwink coefficients, rigidity coefficient, characteristic ratio) suggested that the polymer behaves like a semiflexible chain which adopts a disordered conformation. The rheological behaviour of more concentrated marginalan solutions, as determined by means of both steady shear and oscillatory measurements, further confirmed the disordered conformational state of the polymer in solution.

     

Laser Ablation Molecular Isotopic Spectrometry: Strontium and its isotopes

The experimental details are reported of Laser Ablation Molecular Isotopic Spectrometry (LAMIS) and its application for performing optical isotopic analysis of solid strontium-containing samples in ambient atmospheric air at normal pressure. The LAMIS detection method is described for strontium isotopes from samples of various chemical and isotopic compositions. The results demonstrate spectrally resolved measurements of the three individual ⁸⁶Sr, ⁸⁷Sr, and ⁸⁸Sr isotopes that are quantified using multivariate calibration of spectra. The observed isotopic shifts are consistent with those calculated theoretically. The measured spectra of diatomic oxide and halides of strontium generated in laser ablation plasmas demonstrate the isotopic resolution and capability of LAMIS. In particular, emission spectra of SrO and SrF molecular radicals provided clean and well resolved spectral signatures for the naturally occurring strontium isotopes. A possibility is discussed of using LAMIS of strontium isotopes for radiogenic age determination.     

The Internal Bremsstrahlung Accompanying the β-Decay from 185W

The internal bremsstrahlung (IB) spectrum accompanying the β-decay from ¹⁸⁵W radionuclide has been measured. The obtained spectrum was analyzed into its constituting gamma lines taking into account all the proper corrections. The analyzed spectrum was compared with those theoretically calculated. The experimental results for the IB probability were found to be in good agreement with theoretical calculations especially with the shape corrected modified KUB theory of Nilsson up to 357.7 keV.