X-ray diffraction study of some mesogenic copper, nickel and vanadyl complexes

We present a comparative study of various metallomesogenic complexes, using X-ray diffraction methods. For a given ligand linked to different metal atoms (Cu, Ni, VO), the nature of this central atom influences mainly the magnetic susceptibilities of the mesophases. With different ligands, which keep the close neighbourhood of the metal atom unchanged, the apparent length of the mesogenic unit is longer for short ligands than for longer ones. This unexpected behaviour is qualitatively well explained by taking into account the global shape of the different complexes.     

Orbifold fibrations of Eschenburg spaces

Most of the few known examples of compact Riemannian manifolds with positive sectional curvature are the total space of a Riemannian submersion. In this article we show that this is true for all known examples, if we enlarge the category to orbifold fibrations. For this purpose we study all almost free isometric circle actions on positively curved Eschenburg spaces, which give rise to principle orbifold bundle structures, and we examine in detail their geometric properties. In particular, we obtain a new family of 6-dimensional orbifolds with positive sectional curvature whose singular locus consists of just two points.      

When is a Riemannian submersion homogeneous?

We study the structure of the most common type of Riemannian submersions, namely those whose fibers are given by the orbits of an isometric group action on a Riemannian manifold. Special emphasis is given to the case where the ambient space has nonnegative curvature. The first author was supported by research grant MTM2004-04794-MEC. Most of this work was done during a visit of the second author to Madrid, financed in part by funds of the aforementioned grant.     

Vehicle density and velocity estimation on highways for on-ramp metering control

A scheme for vehicle density and velocity estimation in a stretch of highway based on a modified cell transmission model [C. F. Daganzo, Transportation Research, Part B, 28B(4),269–287, 1994. Elsevier is presented. The scheme is intended for use with on-ramp metering control algorithms, providing local knowledge of densities and velocities that is helpful to improve on-ramp metering control performance. Estimation of density is obtained by nonlinear estimators, while velocity estimation is obtained by gradient algorithms. There is one density–velocity estimator for free traffic flow and other for congested traffic flow. Both estimator schemes work in parallel. The final estimation of density and velocity results from a convex combination of the predictions of the two estimators. This combination depends on occupancy or density measurements at the boundaries of the stretch and is produced by a fuzzy inference system. Stability and convergence of the density and velocity estimation scheme is proved by Lyapunov based techniques. Simulation results comparing measured and estimated traffic data are presented. They confirm good performance of the estimators. Research sponsored by grants UNAM PAPIIT IN110403 and CONACYT 47583.     

Practical aspects associated with location planning for maternal and perinatal assistance in Brazil

A study has been carried out aimed at reducing perinatal mortality in the municipality of Rio de Janeiro through a better distribution of health care facilities. The algorithmic aspects are detailed elsewhere and here the emphasis is on practical issues and difficulties encountered. A 3-level hierarchical model was developed. Both uncapacitated and capacitated versions are briefly described together with some results based on actual data. The project brought to light many contradictions between OR theory and practice in developing countries and, unfortunately, the models developed were not implemented by the municipality health authorities. Possible reasons for this outcome are analysed.     

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%.     

Ab initio modelling of crosslinking in polymers. A case of chains with furan rings

A quantum chemical model (Abinitio HF-MO and DFT-B3LYP) of polyfurfuryl alcohol crosslinking is shown. Two pathways were considered: (a) a Diels–Alder (D–A) reaction between a dihydrofuran moiety and a furan ring; (b) the addition reaction of electrophilic specimens on conjugated double bonds. The ability for the formation of D–A adducts (dienes and dienophiles) was investigated by the frontier molecular orbital (FMO) theory. Energy gaps between the FMO's of diene and dienophile structures suggest that the occurrence of the D–A reaction is possible. The results suggest that the carbons of the exo double bonds attached to dihydrofuran rings are the sites most likely to be attacked by electrophilic species, while the C₃ and C₄ atoms display the opposite tendency due to their low HOMO electron densities. Results of a thermochemical approach to these reactions at the MP2 level was in agreement with reactivity modelled by MO predictions.