Multiple-scattering-theory analysis of XANES spectra of SO2 adsorbed on Cu(100)

The sulphur K-edge x-ray absorption spectra of SO₂ multilayer and of SO₂ submonolayer adsorbed on Cu(100) are analysed. It is found that the dominant spectral features are of a molecular origin. The results support earlier findings that the SO₂ molecule stands perpendicular to the surface. Use of non-selfconsistent potentials does not lead to a good quantitative agreement between theory and experiment.     

Laser nanosources based on planar photonic crystals as new platforms for nanophotonic devices

Two-dimensional photonic crystal lasers have been fabricated on III–V semiconductor slabs. Tuning of the spontaneous emission in micro and nanocavities has been achieved by accurate control of the slab thickness. Different structures, some of them of new application to photonic crystal lasers, have been fabricated like the Suzuki-phase or the coupled-cavity ring-like resonators. Laser emission has been obtained by pulsed optical pumping. Optical characterization of the lasing modes have been performed showing one or more laser peaks centred around 1.55 μm. Far field characterization of the emission pattern has been realized showing different patterns depending on the geometrical shape of the structures. These kinds of devices may be used as efficient nanolaser sources for optical communications or optical sensors.     

Lagrangian Duality in Set-Valued Optimization

In this paper, we study optimization problems where the objective function and the binding constraints are set-valued maps and the solutions are defined by means of set-relations among all the images sets (Kuroiwa, D. in Takahashi, W., Tanaka, T. (eds.) Nonlinear analysis and convex analysis, pp. 221–228, 1999). We introduce a new dual problem, establish some duality theorems and obtain a Lagrangian multiplier rule of nonlinear type under convexity assumptions. A necessary condition and a sufficient condition for the existence of saddle points are given. The authors thank the two referees for valuable comments and suggestions on early versions of the paper. The research of the first author was partially supported by Ministerio de Educación y Ciencia (Spain) Project MTM2006-02629 and by Junta de Castilla y León (Spain) Project VA027B06.     

Development of a universal constant rate thermal analysis system for being used with any thermoanalytical instrument

The SCTA method implies to control the temperature in such a way that the reaction rate changes with the time according to a function previously defined by the user. Constant Rate Thermal Analysis (CRTA) is one of the most commonly used SCTA methods and implies achieving a temperature profile at which the reaction rate remains constant all over the process at a value previously selected by the user. This method permits to minimize the influence of heat and mass transfer phenomena on the forward reaction. The scope of this work is to develop a universal CRTA temperature controller that could be adapted to any thermoanalytical device. The thermoanalytical signal is programmed to follow a preset linear trend by means of a conventional controller that at the time controls a second conventional temperature programmer that forces the temperature to change for achieving the trend programmed for the thermoanalytical signal. Examples of the performance of this control system with a Thermobalance and a Thermomechanical Analyser (TMA) are given.     

Temperature modulated DSC study of the kinetics of free radical isothermal network polymerization

Temperature modulated differential scanning calorimetry (TMDSC) is used to study the kinetics of the free radical isothermal polymerization of triethyleneglycol dimethacrylate (TEGDMA). Azo-bis-isobutironitrile was used as initiator. The polymerization’s temperature is lower than the final glass transition temperature of the polymer network. The measurement of the average heat flow released and the heat capacity during the reaction allows identifying the different stages of the reaction. The presence of double peaks in the heat flow is ascribed to the autoacceleration. The influence of temperature, measuring conditions and oxygen are described. Vitrification is detected by the drop in heat capacity. It occurs at increasing conversion rates for increasing temperatures. After vitrification, the diffusion-controlled reaction continues.     

On Nash Equilibria for Noncooperative Games Governed by the Burgers Equation

Existence of a Nash equilibrium in a noncooperative game governed by the one-dimensional Burgers equation, proposed in the case of pointwise controls in Ref. 1, is proved under data qualifications that guarantee the diffusion term in the Burgers’ equation to be dominant enough with respect to the uniform convexity of the payoffs. This work was partly supported by Grants 201/03/0934 (GA čR) and MSM 0021620839 (MšMT čR). Inspiring discussions with Angel M. Ramos are acknowledged.     

Theoretical study on the structures and electronic spectra of TCNE2-.

Investigations into the charge-separated states and electron-transfer transitions in tetracyanoethylene (TCNE) complexes have recently generated much interest. In this work we present theoretical calculations showing that the most stable structure of the dianion TCNE2- has D2d symmetry in vacuum as well as in the solvents dichloromethane and acetonitrile. By means of the coupled cluster linear response, we compute the vertical electronic spectrum in both the gas phase and solution. The theoretical results are compared to the experimental data and good agreement is achieved.     

Mössbauer studies of the re-entrant spin-glass behaviour of Fe–Al alloys

Fe–Al alloys around the concentration of 30 at. % Al present re-entrant spin-glass behaviour at low temperatures. This behaviour is not completely understood and Mössbauer spectroscopy, combined with other experimental techniques, is useful to describe and explain this behaviour. Results show that the Mössbauer spectra coincide with the magnetic behaviour showed in literature and they can be explained as a magnetic cluster system whose magnetic clusters are getting smaller when the temperature is decreasing. When the temperature is reaching to the spin-glass transition at 92 K the spins in the paramagnetic matrix are moving slower and below this transition the spins are completely frozen.     

A real time method for surface cleanliness measurement

The measurement of surface cleanliness is a significant problem in many industrial and technological processes. Existing methods are based on laboratory procedures, that are not performed in real time, can not be automated, and usually are restricted to a small portion of the sample. In this study we describe a new method for real time measurement of the amount of surface dirt or contamination deposited on a surface. It relies on the ablation of the surface dirt film by means of a short laser pulse, and the subsequent measurement of the emitted sound. The intensity of the sound is proportional to the amount of surface dirt and provides a direct measurement of the cleanliness of the surface. We also developed a reference sample for calibration, based on a uniform distribution of dots printed on white paper. The density and the dot size can be easily modified providing a homogeneous, uniform and reproducible standard for the measurement. Based on this method, we designed, developed and patented the first industrial instrument for on-line determination of the degree of cleanliness of manufactured cold rolled steel plate bobbins. PACS 79.20.D; 81.70.C; 42.62.     

Advances in constant-velocity Mössbauer instrumentation

A prototype of a programmable constant-velocity scaler is presented. This instrument allows the acquisition of partial Mössbauer spectra in selected energy regions using standard drivers and transducers. It can be fully operated by a remote application, thus data acquisition can be automated. The instrument consists of a programmable counter and a constant-velocity reference. The reference waveform generator is amplitude modulated with 13-bit resolution, and is programmable in a wide range of frequencies and waveforms in order to optimize the performance of the transducer. The counter is compatible with most standard SCA, and is configured as a rate-meter that provides counts per selectable time slice at the programmed velocity. As a demonstration of the instrument applications, a partial Mössbauer spectrum of a natural iron foil was taken. Only positive energies were studied in 512 channels, accumulating 20 s per channel. A line width of 0.20 mm/s was achieved, performing with an efficiency of 80%.