Fluorides of ruthenium and chromium: Theoretical studies

The electronic and structural characteristics of CrF₅, CrF₄, RuF₅ and RuF₄ were studied. Ab initio (SCF-CI) calculations were performed with different structures and spin states for each complex. The favored conformation always corresponds to the highest multiplicity: doublet for CrF₅ in D_3h, triplet for CrF₄ in T_d, quadruplet for RuF₅ in C_4v and quintuplet for RuF₄ in D_4h symmetry.     

The Almost Sure Limit Theorem for Sums of Random Vectors

We establish a sufficient condition for an almost sure limit theorem for sums of independent random vectors under minimal moment conditions and assumptions on normalizing sequences. We provide an example showing that our condition is close to the optimal one, as well as a related sufficient condition due to Berkes and Dehling. Bibliography: 5 titles.     

An optical method and neural network for surface roughness measurement

The measurement of surface roughness using stylus equipment has several disadvantages. A non-contact optical method is needed for measuring the surface roughness of engineering metals with improved accuracy. One candidate for an optical method is the use of a laser source, where the laser light intensity reflected from the surface represents the surface roughness of the illuminated area. A relation can be developed between the reflected laser beam intensity and the surface roughness of the metal. The present study examines the measurement of the surface roughness of the stainless steel samples using a He-Ne laser beam. In the measurement a Gaussian curve parameter of a Gaussian function approximating the peak of the reflected intensity is measured with a fast response photodetector. In order to achieve this, an experimental setup is designed and built. In the experimental apparatus, fiber-optic cables are used to collect the reflected beam from the surface. The output of the fiber-optic system is fed to a back-propagation neural network to classify the resulting surface profile and predict the surface roughness value. The results obtained from the present study are then compared with the stylus measurement results. It is found that the resolution of the surface texture improves considerably in the case of optical method and the neural network developed for this purpose can classify the surface texture according to the control charts developed mathematically.     

Production of neutrinos at HERA

For theep collider at HERA, we study processes with neutrinos in the final state. Furthermore, we discuss the production ofW andZ bosons. Because of the very small lifetimes of theW andZ, we consider the production of their leptonic decay products rather than the bosons themselves. All the results are based on exact calculations of the matrix element at the tree level. Total cross sections and various kinematical distributions are presented.     

Mechanisms of ion-beam-enhanced diffusion in amorphous silicon

We have investigated ion-beam-enhanced diffusion of Au in undoped and B doped amorphous Si. The diffusion coefficients depend linearly on ion flux and exibit an Arrhenius-like temperature dependence with an activation energy of 0.37 eV in the temperature range 200–350° C. Moreover the diffusivity is enhanced by a factor of 5 by B-doping at a concentration of 1×10²⁰ atoms/cm³. A similar enhancement is observed in thermal diffusion of Au which has an activation energy of 1.5 eV. On the basis of these results a model for the ion-beam-enhanced diffusion of Au is proposed where the high density of defects present in amorphous Si act as traps for the fast moving interstitial Au atoms. The effectiveness of this trapping process can be changed by the high concentration of mobile defects generated by the beam and also by a change in the charge state of the traps induced by the presence of B.     

New fir laser lines and frequency measurements from optically pumped13CD3OH3

We report the discovery of 57 new fir laser lines from¹³CD₃OH molecule optically pumped by a waveguide CO₂ laser of 300 MHz tunability. For all lines, precise frequency offset measurements between the CO₂ line center and the center of the absorbing¹³CD₃OH line were performed using the transferred Lamb-Dip technique. We have also measured directly the frequency of seven FIR laser lines by heterodyning with already known laser lines. We present a complete list of all known laser lines (134) and frequency measurements (24) for this molecule.Work supported by CNPq, FAPESP, FAEP-Brasil, and CNR-Italia     

Computer-generated holograms from 3D-objects written on twisted-nematic liquid crystal displays

In order to optimize computer-generated holograms (CGHs) for three-dimensional objects, an extension of the well known Gerchberg-Saxton algorithm is used. Optical reconstructions using an electrically addressed twisted-nematic liquid crystal display are presented. For arbitrary CGHs, reconstructing 3D-objects, we will discuss the problems and solutions associated with periodic replication of holograms.     

Transport of gases in aromatic polyesters: Correlation with WAXD studies

Polymer packing density can be conveniently measured by either density-based measurements (direct or estimated free volume) or wide-angle X-ray diffraction (WAXD) spectra. Previously reported diffusivity and permeability values for various polyarylates and polyimides are examined on the basis of the packing density measured by these different techniques. It is shown that in these rigid glassy polymers, the mean intersegmental distance, the d-spacing, obtained from WAXD provides a better measure of the effect of polymer packing on diffusivity than either direct density measurements or estimated free volumes. It has been possible to correlate previously reported diffusivity and sorption data for various polyarylates and polycarbonate on the basis of the WAXD investigation, using the d-spacing and the amorphous peak width, respectively. The effect of polyarylate structure on d-spacing has been studied. A series of polyarylates have been synthesized with different substituents on the bridge carbon. In this series the d-spacing remains constant while the carbonyl group density and the glass transition temperatures are varied. However, small substituents on the aromatic ring cause significant changes in the d-spacing. These results can be used to tailor polyarylates with desired intersegmental distances and chain flexibility.     

Study of the reciprocal space image of the biaxial nematic phase in the plane of the amphiphilic bilayer

High resolution synchrotron X-ray measurements have been performed on the uniaxial and biaxial phases of the lyotropic mixture potassuim laurate, decanol and water. An elegant magnetic orientational procedure allows us to obtain the cut of the reciprocal space image of the biaxial phase at the plane perpendicular to the amphiphilic bilayer. The analysis of densitometric profiles of the diffracted bands indicate an anisotropic micellar correlation in the plane of the amphiphilic bilayer. It is suggested that an anisotropic distribution of decanol and potassium laurate in this plane could be responsible for this effect.