Atomistic study of structural, elastic, electronic and thermal properties of perovskites Ba(Ti,Zr,Nb)O3

The full-potential linearized augmented plane waves (FP-LAPW) method based the on density functional theory (DFT) using the generalized gradient approximation (GGA) is applied to study the structural, mechanical, and electronic properties of BaTiO₃, BaZrO₃, and BaNbO₃ cubic perovskites. The quasi-harmonic Debye model, by means of total energy versus volume calculations obtained with the FP-LAPW method, is applied to study the thermal and vibrational effects. Predicted temperature and pressure effects on the structural parameters, thermal expansions, heat capacities, and Debye temperatures are determined from the non-equilibrium Gibbs functions.     

Ultra-thin crystalline films of CdSe and CuSe formed at the organic-aqueous interface

Two-dimensional nanostructures in the form of ultra-thin crystalline films of CdSe and CuSe have been prepared at the organic-aqueous interface by reacting toluene solutions of metal cupferronates with an aqueous solution of N,N-dimethyl selenourea. The films have been examined using electron microscopy and optical spectroscopy. At lower concentrations of the reacting species, the CdSe films formed at the toluene-water interface at approximately 30 degrees C consisted mostly of nanocrystals. With increase in concentration as well as temperature, the interface reaction yielded thicker films which are mostly single-crystalline. We have studied the time-dependent growth of the CdSe film at the interface using UV-visible absorption spectroscopy. Ultra-thin films of CuSe formed at the toluene-water interface are generally single-crystalline.     

New Initiatives on Comparison of Whole-field Experimental and Numerical Results

Abstract: A simple approach to plot photoelastic fringes in grey scale and also in colour from finite element (FE) results is presented for better recognition and comparison with experiments. This requires proper identification of the plotting variable from FE results. For comparison with transmission photoelasticity, post-processing of principal stress difference is needed and for reflection photoelasticity the principal strain difference is to be used. The importance of the use of appropriate correction factors for comparison with reflection photoelastic results is emphasised. A newer approach to evaluate R _f for complicated geometries is indicated. Plotting of experimental fringes from finite elements is useful not only for validating the numerical model based on experiments but also for validating the experiments. To illustrate this, the problem of an interfacial crack in a bi-material Brazilian disc is discussed.     

New generation of hydrotreating catalysts

Translated from Khimiya i Tekhnologiya Topliv i Masel, No. 2, pp. 2–4, February, 1991.     

Pulse trimming of thin-film resistors

Resistivity decreases can be induced in Cr-SiO films by current pulses of short duration. Precision resistance measurements between pulses permit trimming of film resistors to 0.1 percent in less than one second, provided pulse power, duration, and frequency are adjusted properly. A trimmer system that contacts several resistors through multiple probes and controls the process through a paper-tape reader is described. Pulse trimming has been applied to film resistors ranging from pure Cr up to Cr-40 mole % SiO. After annealing at 400°C, additional resistance decreases of at least 20 percent are possible with all compositions containing SiO. The interval between 15 and 30 mole % SiO is most suitable because substantial resistance changes are obtained at pulse powers well below the limits at which resistors burn out.     

Self- and mutual admittances of two identical circular loop antennas in a conducting medium and in air

The normalized self- and mutual admittances of two identical bare circular loop antennas have been evaluated when the loops are immersed in either air or an infinite homogeneous conducting medium. By decomposing the voltage and current into symmetric and antisymmetric components, the simultaneous integral equations for the distribution of current along the loop have been converted into a single integral equation similar to that for the isolated circular loop antenna which has already been studied. The computed results are presented graphically. The measured results are in good agreement with theory.     

Far infrared optical properties of amorphous semiconductors As−S systems

Far infrared reflection, Raman, and Brillouin spectra of amorphous semiconductor As?S systems are measured. From the reflection spectra, the optical constants are calculatured by the Kramers Kronig analysis. The existence of some intermediate range interaction among molecular units AsS₃ is suggested. From the analysis of the Boson peak at low frequency region in Raman scattering, the correlation length is obtained to be ca. 6 Å. From the absorption coefficient in the low frequency region about 3% fluctuation of charge is suggested for As₂S₃ by schlömann theory.