A theoretical analysis of the TiO2/Sn doped (1 1 0) surface properties

We have used the periodic quantum-mechanical method with density functional theory at the B3LYP level in order to study TiO₂/Sn doped (1 1 0) surfaces and have investigated the structural, electronic and energy band properties of these oxides. Our calculated relaxation directions for TiO₂ is the experimental one and is also in agreement with other theoretical results. We also observe for the doped systems relaxation of lattice positions of the atoms. Modification of Sn, O and Ti charges depend on the planes and positions of the substituted atoms. Doping can modify the Fermi levels, energy gaps as well as the localization and composition of both valence and conduction band main components. Doping can also modify the chemical, electronic and optical properties of these oxides surfaces increasing their suitability for use as gas sensors and optoelectronic devices.     

Effect of genesis on the properties and hydrogen reducibility of NiO-ZnO mixed oxides

The physico-chemical properties and reactivity tested by hydrogen reduction have been studied for two series of NiO-ZnO mixed oxides of various composition. The solid nickel oxide or zinc oxide in interaction with the solution of nitrate of the second component were used as the precursors in each series. The differences in some physico-chemical parameters of the samples in both series were correlated with their reduction behaviour, followed both in iso- and non-isothermal regime. Moreower, the influence of various factors modifying the reactivity of mixed oxides was also investigated and the results were compared with those obtained from earlier studied analogous systems of quite different origin.This revised version was published online in November 2005 with corrections to the Cover Date.     

Study of a vibrating plate: comparison between experimental (ESPI) and analytical results

Real-time electronic speckle pattern interferometry (ESPI) was used for tuning and visualization of natural frequencies of a trapezoidal plate. The plate was excited to resonant vibration by a sinusoidal acoustical source, which provided a continuous range of audio frequencies. Fringe patterns produced during the time-average recording of the vibrating plate—corresponding to several resonant frequencies—were registered. From these interferograms, calculations of vibrational amplitudes by means of zero-order Bessel functions were performed in some particular cases. The system was also studied analytically. The analytical approach developed is based on the Rayleigh–Ritz method and on the use of non-orthogonal right triangular co-ordinates. The deflection of the plate is approximated by a set of beam characteristic orthogonal polynomials generated by using the Gram–Schmidt procedure. A high degree of correlation between computational analysis and experimental results was observed.     

The role of variable surface charge and surface complexation in the adsorption of humic acid on magnetite

The ionic strength dependence of humic acid (HA) adsorption on magnetite (Fe₃O₄) was investigated at pH 5, 8 and 9, where variable charged magnetite is positive, neutral and negative, respectively. The adsorption studies revealed that HA has high affinity to magnetite surface especially at lower pH, where interacting partners have opposite charges. However, in spite of electrostatic repulsion at pH 9 notable amounts of humate are adsorbed. Increasing ionic strength enhances HA adsorption at each pH due to charge screening. The dominant interaction is probably a ligand-exchange reaction, nevertheless the Coulombic contribution to the organic matter accumulation on oxide surface is also significant under acidic condition. The results from size exclusion chromatography demonstrate that the smaller size HA fractions enriched with functional groups are adsorbed preferentially on the surface of magnetite at pH 8 in dilute NaCl solution.     

Synchronization and modularity in complex networks

We investigate the connection between the dynamics of synchronization and the modularity on complex networks. Simulating the Kuramoto's model in complex networks we determine patterns of meta-stability and calculate the modularity of the partition these patterns provide. The results indicate that the more stable the patterns are, the larger tends to be the modularity of the partition defined by them. This correlation works pretty well in homogeneous networks (all nodes have similar connectivity) but fails when networks contain hubs, mainly because the modularity is never improved where isolated nodes appear, whereas in the synchronization process the characteristic of hubs is to have a large stability when forming its own community.     

Nanostructures in calcia stabilized hafnia thin films observed by PAC as a function of temperature

The hyperfine quadrupole interaction at Hf sites in films and powders of 14 mol% CaO–HfO₂ and 20 mol% CaO–HfO₂ has been determined as a function of temperature. Results indicate the formation of a cubic solid solution and other microstructures assigned to the ?₁ (CaHf₄O₉) and ?₂ (Ca₆Hf₁₉O₄₄) phases. Dynamical effects on the electric field gradient reveal the existence of oxygen vacancies movements in the solid solution. The thermal behavior of the relaxation constant observed in films allowed the determination of activation energies of 0.54 eV and 0.70 eV for the 14 mol% and 20 mol% CaO doped hafnias, respectively. The influence of the microdomains and the stability of the cubic solid solution are discussed.     

Left, right, and inner socles of associative systems

We investigate the basic properties of the different socles that can be considered in not necessarily semiprime associative systems. Among other things, we show that the socle defined as the sum of minimal (or minimal and trivial) inner ideals is always an ideal. When trivial inner ideals are included, this inner socle contains the socles defined in terms of minimal left or right ideals. This revised version was published online in June 2006 with corrections to the Cover Date.     

On the Hahn--Mazurkiewicz theorem

The following generalization of the Hahn-Mazurkiewicz theorem is proved: Let (E,e) be a locally compact locally connected metric space. Let M be a continuum in this space and let d,e∈ M. Then there is a continuous mapping f: [0,1]→E such that f(0) = d, f(1)= e and M⊂f([0,1]). Also some corollaries of this theorem are proved.     

Integrable semiclassical deformations of general algebraic curves and associated conservation laws

Based on the Lenard relations, we completely classify integrable deformations of general algebraic curves. We construct the general solution of the Lenard relation from the invariance condition with respect to an element of the Galois group of the curve. We give some examples and also some associated conservation laws. __________ Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 151, No. 3, pp. 458–469, June, 2007.