The structure of an Fe monolayer on the Ni (111) surface. A density-functional study using the generalized gradient approximation

Using a density-functional method that employs linear combinations of atomic orbitals as basis sets, nonlocal norm-conserving pseudopotentials and the generalized gradient approximation for exchange and correlation, we found that at 0 K the atoms of an Fe monolayer on the Ni (111) surface occupy hcp rather than fcc sites, in keeping with previous predictions made using the ab initio all-electron full-potential linearized augmented plane wave method with the local spin density approximation.     

Absorption and emission dynamics in concentrated optical ensembles under laser excitation

A new theoretical model describing the emission and absorption dynamics in an ensemble of molecules under intense coherent pulsed pumping is developed on the basis of the concepts of cooperative light-induced luminescence (CLIL). The CLIL development is described within the framework of formalism of the system density matrix in the space of photon wave functions. It is shown that the fast growth of CLIL relates to the development of coherent states of the quantum field in the area of efficient cooperative interactions of molecules (coherence volume). A system of equations for the calculation of CLIL energy, population of excited states, and optical absorption of the system in dependence on the laser pump energy density is solved. The theoretical results obtained are in good agreement with the experimental data.     

Reaction of 2-formyl-1,3-cyclohexanediones with cyanoacetamide

Chemistry of Heterocyclic Compounds -     

Characteristic features of carbazole phosphorescence quenching by benzophenone molecules in toluene at 77 K

We have studied the characteristic features of carbazole phosphorescence quenching by benzophenone in toluene at 77 K. We have shown that the decrease in the relative phosphorescence intensity for carbazole (energy donor) by a greater factor than we see for the relative change in its decay time is due to the fact that a change in the phosphorescence decay time occurs only for carbazole molecules participating in triplet-triplet energy transfer, while the substantial decrease in the phosphorescence intensity for carbazole with no change in the phosphorescence decay time is connected with quenching of its singlet states. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 4, pp. 554–556, July–August, 2006.     

Effects of oxidation and cluster distribution on thermal and magnetotransport properties of mechanically alloyed Co–Cu powders

Thermal and magnetotransport properties of mechanically alloyed Co₃₀Cu₇₀ powders of three different milling times are studied. Both milling and annealing bring about oxidation of the samples. The powders show exothermic behaviors corresponding to the lattice-recovery process. Different milling times and annealing temperatures give rise to different exothermic peaks because of oxidation and the cluster distribution. At room temperature, the compressed powders show, on average, up to 11% giant magnetoresistance (GMR) under 10 kOe with sharp switching. The results may be understood in terms of spin-dependent scattering across Co/oxide/Cu interfaces. Annealing reduces the resistance but does not promote the GMR. By annealing at 400 °C, the GMR is entirely suppressed as the magnetic content is largely replaced by oxides. PACS 72.15.Eb; 75.47.De; 75.47.Np     

Characterization of phospho-olivines as materials for Li-ion cell cathodes

Solid State Reaction was employed to prepare phospho-olivines LiMPO₄ (where M=Fe, Co) as pure phase and LiNiPO₄ in presence of foreign phases, as cathodic materials for lithiumions batteries. The relationship between structural, morphological and electrochemical properties were investigated in the case of LiFePO₄. Structural investigation has been carried out by means of X-ray powder diffraction (XRPD) and Rietveld refinement. The influence on the morphology of annealing temperature, different flowing gas mixture and addition of ascorbic acid during the synthesis, has been analysed via scanning electron microscopy. The electrochemical cycling performances on LiFePO₄ showed to be positively affected by the modifications of the experimental conditions. Cyclic voltammetry showed a good reversibility during insertion-extraction mechanism, in particular in presence of additives. LiCoPO₄ and LiNiPO₄ are interesting as high voltage cathode materials for Li-ion batteries and have been taken into account, but their electrochemical operating conditions are still to be optimised. In the case of LiNiPO₄ it is very difficult to obtain, by solid state synthesis, suitable purity powders, having a grain size small enough to exploit it usefully as cathodic material for Li-ion cells. Paper presented at the 8th EuroConference on Ionics, Carvoeiro, Algarve, Portugal, Sept. 16 – 22, 2000.     

Complex dynamics of a simple distributed self-oscillatory model system with delay

A simple model for a distributed self-oscillatory system with cubic nonlinearity and delay is presented. Conditions for oscillation self-excitation and stationary oscillation conditions, as well as the stability of the oscillations, are analyzed. Nonstationary self-modulation regimes (including conditions of complex dynamics and chaos) are simulated numerically over a wide range of control parameters. As the factor of nonequilibrium grows, regular and chaotic regimes alternate in a complex manner. The transitions to chaos may follow all scenarios known for finite-dimensional systems. The model suggested is somewhat akin to a number of earlier finite-dimensional models aimed at studying mode competition in resonance electron masers.     

Optical spectroscopy of Yb/Er codoped NaY(WO4)2 crystal

Erbium and ytterbium codoped double tungstates NaY(WO₄)₂ crystals were prepared by using Czochralski (CZ) pulling method. The absorption spectra in the region 290-2000 nm have been recorded at room temperature. The Judd-Ofelt theory was applied to the measured values of absorption line strengths to evaluate the spontaneous emission probabilities and stimulated emission cross sections of Er³⁺ ions in NaY(WO₄)₂ crystals. Intensive green and red lights were measured when the sample were pumped by a 974 nm laser diode (LD), especially, the intensities of green upconversion luminescence are very strong. The mechanism of energy transfer from Yb³⁺ to Er³⁺ ions was analyzed. Energy transfer and nonradiative relaxation played an important role in the upconversion process. Photoexcited luminescence experiments are also fulfilled to help analyzing the transit processes of the energy levels.     

MULTI-MODE TRIMMING OF IMPERFECT THIN RINGS USING MASSES AT PRE-SELECTED LOCATIONS

This paper presents a practical method for trimming the natural frequencies of an initially imperfect ring to simultaneously eliminate certain of the frequency splits present. Compared with previous work, the novel feature of this method is that the trimming masses are positioned at pre-selected locations on the ring. The basis for the proposed method is the concept of equivalent imperfection mass, which allows any imperfect ring to be considered as a perfect ring with equivalent imperfection masses attached. By considering this trimming problem it is deduced that it is possible to trim N pairs of modes simultaneously by removing (a minimum of) 2 N trimming masses at particular locations around the ring. By positioning the trimming masses at pre-selected locations, it is shown that a simple set of trimming masses can be calculated easily, and from this set an infinite number of solution sets can be found. Methods for generating these sets are outlined for the trimming of both a single and a dual pair of modes. In practice, it is likely that the trimming masses will be spaced regularly. For this special case, it is found that it is not possible to trim all single- and dual-mode pairs with any arrangement of masses. Validation of the derived simple solution set and the proposed procedure to generate further sets is achieved by studying a number of theoretical examples.     

Numerical simulation and experimental validation of heat transfer within rotating flows for three‐dimensional non‐axisymmetric,turbulent conditions

A control volume type numerical methodology for the analysis of steady three‐dimensional rotating flows with heat transfer, in both laminar and turbulent conditions, is implemented and experimentally tested. Non‐axisymmetric momentum and heat transfer phenomena are allowed for. Turbulent transport is alternatively represented through three existing versions of the k–ε model that were adjusted to take into account the turbulence anisotropy promoted by rotation, streamline curvature and thermal buoyancy. Their relative performance is evaluated by comparison of calculated local and global heat balances with those obtained through measurements in a laboratory device. A modified version of the Lam and Bremhorst, low Reynolds number model is seen to give the best results. A preliminary analysis focused on the flow structure and the transfer of heat is reported. Copyright © 2002 John Wiley & Sons, Ltd.