Incorporation of smooth spherical bodies in the Lattice Boltzmann method

A method to simulate bodies suspended in a Lattice Boltzmann solvent is proposed. It is based on a generalized reaction force that enforces no-slip boundary conditions at the fluid–body interface as the limiting case of an iterative procedure. A smooth version of the Heaviside function allows to treat spherical particles of arbitrary size and produces smooth hydrodynamic forces as particles move in the continuum. Numerical tests demonstrate the accuracy of the method in reproducing the hydrodynamic field around a single particle and the fluid-mediated forces between pairs of particles. The drag force experienced by a particle moving in a straight channel and at various Reynolds numbers is studied as a non-trivial testcase.     

Experimental and theoretical analysis of bias ionization by?α-particles in a nitrogen laser

Nitrogen laser performance with TE configuration and wedge electrodes is analyzed with background ionization in the laser discharge channel by α particles at a low exposition rate. With the bias ionization, the laser power presents two peaks as a function of gas pressure, with one at the normal low pressure, without bias ionization, and the other at high pressure generated by bias ionization. A simple theoretical model has been developed in a trial to understand this behavior. This model was first tested in later results for a TE configuration nitrogen laser, with flat electrodes, without and with bias ionization. It has been observed that due to the competition between electrode shielding by positively charged α particles and bulk ionization by impact, the laser energy is suppressed with pressure below 50 Torr and enhanced above it.     

Novel stereocontrolled addition of allylmetal reagents to alpha-imino esters: efficient synthesis of chiral tetrahydroquinoline derivatives

To prepare in multigram scale new antagonists of the glycine binding site associated to the NMDA receptor, an efficient distereoselective route was set up. The addition of suitable allyltin reagents to chiral N-aryl alpha-imino esters (R-(+)-tert-butyl lactate used as chiral auxiliary), gave the corresponding alpha amino acid-type derivative in high chemical yield and optical purity. This allylation reaction represents a novel example of efficient long-range stereodifferentiation process. In the last part of the synthesis, a regioselective Heck-type cyclization reaction enabled preparation of the target tetrasubstituted exocycle and trisubtituted endocycle double bond derivatives.     

High-performance liquid chromatographic/tandem mass spectrometric identification of the phototransformation products of tebuconazole on titanium dioxide

Tebuconazole is a widely used fungicide. The formation of by-products on irradiated titanium dioxide as a photocatalyst was evaluated. Several species derived from tebuconazole degradation were identified and characterized by HPLC/MS(n). A pattern of reactions accounting for the observed intermediates is proposed. Different parallel pathways are operating (and through these pathways the transformation of the molecule proceeds), leading to a wide range of intermediate compounds. All these molecules are more hydrophylic than tebuconazole. The main steps involved are (1) the hydroxylation of the molecule with the formation of three species having [M + H](+) 324; the hydroxylation occurs on the C-1 carbon and on the aromatic ring in the two ortho-positions; (2) the cleavage of a C--C bond with the release of the tert-butyl moiety and the formation of a species having m/z 250; analogously to step 1, also on this species a further hydroxylation reaction occurs; (3) through the loss of the triazole moiety with the formation of a structure with m/z 257.     

O 1s --> sigma* resonance in O2: inadequacy of only two exchange-split components

The O 1s-->sigma* transition below the O K-edge in O2 has been investigated by absorption, constant ionic state (CIS) experiments, and extensive configuration interaction calculations. CIS scans of the three lowest-lying final states reached in resonant Auger decay provide a wealth of information on energy range, symmetry, and spin multiplicity of the intermediate states with sigma* character. We conclude that the identification of only two exchange-split components is inadequate because a complex manifold of states with sigma* character exists with no unique energy difference between related states.     

Estimation of two-dimensional affine transformations through polar curve matching and its application to image mosaicking and remote-sensing data registration.

This paper presents a new and effective method for estimating two-dimensional affine transformations and its application to image registration. The method is based on matching polar curves obtained from the radial projections of the image energies, defined as the squared magnitudes of their Fourier transforms. Such matching is formulated as a simple minimization problem whose optimal solution is found with the Levenberg-Marquardt algorithm. The analysis of affine transformations in the frequency domain exploits the well-known property whereby the translational displacement in this domain can be factored out and separately estimated through phase correlation after the four remaining degrees of freedom of the affine warping have been determined. Another important contribution of this paper, emphasized through one example of image mosaicking and one example of remote sensing image registration, consists in showing that affine motion can be accurately estimated by applying our algorithm to the shapes of macrofeatures extracted from the images to register. The excellent performance of the algorithm is also shown through a synthetic example of motion estimation and its comparison with another standard registration technique.     

Performance analysis of cellular mobile communication networks supporting multimedia services

This paper illustrates the development of an analytical model for a communication network providing integrated services to a population of mobile users, and presents performance results to both validate the analytical approach, and assess the quality of the services offered to the end users. The analytical model is based on continuoustime multidimensional birth–death processes, and is focused on just one of the cells in the network. The cellular system is assumed to provide three classes of service: the basic voice service, a data service with bit rate higher than the voice service, and a multimedia service with one voice and one data component. In order to improve the overall network performance, some channels can be reserved to handovers, and multimedia calls that cannot complete a handover are decoupled, by transferring to the target cell only the voice component and suspending the data connection until a sufficient number of channels become free. Numerical results demonstrate the accuracy of the approximate model, as well as the effectiveness of the newly proposed multimedia call decoupling approach.     

Lee-Goldburg solid-state imaging.

A new approach to solid-state imaging (SSI) is presented. The method relies on narrowing the resonance line using the Lee-Goldburg sequence. The technique is easy to implement in practice and may find widespread applications in materials science.