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.     

Production and characterization of refractive index gratings in high-birefringence fibre optics

In this work, we report production and modelling of both Bragg gratings and rocking filters in high birefringence fibre optics. Bragg gratings are produced by UV (257.0 nm) external interferometric exposition of a frequency-doubled Ar⁺ ion laser, whereas for rocking filters formation the visible Ar⁺ ion laser lines in 488.0 and 514.5 nm are used in an internal method. The spectral characteristics due to the birefringence properties are studied through numerical methods and experimental techniques. The spectral responsivity of the structures under temperature changes and stress application is presented.     

Solving a multiobjective location routing problem with a metaheuristic based on tabu search. Application to a real case in Andalusia

In this work we present a multiobjective location routing problem and solve it with a multiobjective metaheuristic procedure. In this type of problem, we have to locate some plants within a set of possible locations to meet the demands of a number of clients with multiple objectives. This type of model is used to solve a problem with real data in the region of Andalusia (Spain). Thus, we study the location of two incineration plants for the disposal of solid animal waste from some preestablished locations in Andalusia, and design the routes to serve the different slaughterhouses in this region. This must be done while taking into account certain economic objectives (start-up, maintenance, and transport costs) and social objectives (social rejection by towns on the truck routes, maximum risk as an equity criterion, and the negative implications for towns close to the plant).     

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.     

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%.