Multilevel refinement for combinatorial optimisation: boosting metaheuristic performance

The multilevel paradigm as applied to combinatorial optimisation problems is a simple one, which at its most basic involves recursive coarsening to create a hierarchy of approximations to the original problem. An initial solution is found, usually at the coarsest level, and then iteratively refined at each level, coarsest to finest, typically by using some kind of heuristic optimisation algorithm (either a problem-specific local search scheme or a metaheuristic). Solution extension (or projection) operators can transfer the solution from one level to another. As a general solution strategy, the multilevel paradigm has been in use for many years and has been applied to many problem areas (for example multigrid techniques can be viewed as a prime example of the paradigm). Overview papers such as [] attest to its efficacy. However, with the exception of the graph partitioning problem, multilevel techniques have not been widely applied to combinatorial problems and in this chapter we discuss recent developments. In this chapter we survey the use of multilevel combinatorial techniques and consider their ability to boost the performance of (meta)heuristic optimisation algorithms.

Modeling the diffusion of solid copper into liquid solder alloys

During the soldering process, the copper atoms diffuse into liquid solders. The diffusion process determines integrity and the reworking possibility of a solder joint. In order to capture the diffusion scenarios of solid copper into liquid Sn–Pb and Sn–Cu solders, a computer modeling has been performed for 10 s. An analytical model has also been proposed for calculating the diffusion coefficient of copper into liquid solders. It is found that the diffusion coefficient for Sn–Pb solder is 2.74 × 10− 10 m2/s and for Sn–Cu solder is 6.44 × 10−9 m2/s. The modeling results reveal that the diffusion coefficient is one of the major factors that govern the rate at which solid Cu dissolve in the molten solder. The predicted dissolved amounts of copper into solders have been validated with the help of scanning electron microscopic analysis.

IR/Raman spectroscopy and DFT calculations of cyclic di-amino acid peptides. Part III: comparison of solid state and solution structures of cyclo(L-Ser-L-Ser)

B3-LYP/cc-pVDZ calculations of the gas-phase structure and vibrational spectra of the isolated molecule cyclo(L-Ser-L-Ser), a cyclic di-amino acid peptide (CDAP), were carried out by assuming C-2 symmetry. It is predicted that the minimum-energy structure is a boat conformation for the diketopiperazine (DKP) ring with both L-Beryl side chains being folded slightly above the ring. An additional structure of higher energy (15.16 kJ mol(-1)) has been calculated for a DKP ring with a planar geometry, although in this case two fundamental vibrations have been calculated with imaginary wavenumbers. The reported X-ray crystallographic structure of cyclo(L-Ser-L-Ser), shows that the DKP ring displays a near-planar conformation, with both the two L-Beryl side chains being folded above the ring. It is hypothesized that the crystal packing forces constrain the DKP ring in a planar conformation and it is probable that the lower energy boat conformation may prevail in the aqueous environment. Raman scattering and Fourier-transform infrared (FT-IR) spectra of solid state and aqueous solution samples of cyclo(L-Ser-L-Ser) are reported and discussed. Vibrational band assignments have been made on the basis of comparisons with the calculated vibrational spectra and band wavenumber shifts upon deuteration of labile protons. The experimental Raman and IR results for solid-state samples show characteristic amide I vibrations which are split (Raman:1661 and 1687 cm(-1), IR:1666 and 1680 cm(-1)), possibly due to interactions between molecules in a crystallographic unit cell. The cis amide I band is differentiated by its deuterium shift of ~ 30 cm(-1), which is larger than that previously reported for trans amide I deuterium shifts. A cis amide II mode has been assigned to a Raman band located at 1520 cm(-1). The occurrence of this cis amide II mode at a wavenumber above 1500 cm(-1) concurs with results of previously examined CDAP molecules with low molecular weight substituents on the C-alpha atoms, and is also indicative of a relatively unstrained DKP ring.

D10.2 - Research Data Management Plan, version 1.0

This document is the first out of three iterations of the DMP that will be formally delivered during the project. Version 2 is due in month 24 and version 3 towards the end of the project. The DMP thus is not a fixed document; it evolves and gains more precision and substance during the lifespan of the project. In this first version we describe the planned research data sets related to the RAGE evaluation and validation activities, and the fifteen principles that will guide data management in RAGE. The former are described in the format of the EU data management template, and the latter in terms of their guiding principle, how we propose to implement them, and when they will be implemented. This document is thus first of all relevant to WP5 and WP8 members.

La Inteligencia Competitiva en los procesos de internacionalización empresarial: Una guía de recursos de información para la empresa española y el periodismo económico

La información se ha convertido en un recurso imprescindible para el proceso de toma de decisiones en las empresas, y elemento fundamental en el proceso de Inteligencia Competitiva. La globalización económica y la libre circulación de mercancías, bien sea dentro de estructuras supranacionales o derivados de la firma de Tratados internacionales, han aumentado el número de competidores presentes en los mercados, pero también las oportunidades para acceder a otros mercados internacionales. Este trabajo describe los recursos de información más importantes que puede necesitar una empresa en su acceso a los mercados internacionales, y que proceden tanto de organismos públicos como privados.

La gran pantalla en guerra: Segunda Guerra Mundial y noticiarios cinematográficos "Luce" (1940-1945

En la Segunda Guerra Mundial la propaganda se convirtió en un campo de batalla más: en el caso de Italia era necesario crear en una opinión pública favorable a la guerra sin crear alarmismos. Para ello se utilizó uno de los instrumentos más eficaces para la propaganda del fascismo: el noticiario cinematográfico Luce. Este artículo analiza la representación que los noticiarios producidos desde 1940 hasta 1945 ofrecen de la Segunda Guerra Mundial. Se apuntan los temas más recurrentes, las características de las noticias sobre la guerra y se señalan las grandes ausencias debidas a la censura del Régimen de Mussolini.

Use of a rotating disc reactor to investigate the heterogeneously catalysed oxidation of cinnamyl alcohol in toluene and ionic liquids

To evaluate the effect of mass transfer limitations in the three-phase oxidation of cinnamyl alcohol carried out in toluene and an ionic liquid (1-butyl-3-methyl-imidazolium bis(trifluoromethylsulphonyl)imide), studies have been performed in a rotating disc reactor and compared with those carried out in a stirred tank reactor where mass transfer effects are considered negligible. High catalyst efficiencies are found in the stirred tank reactor with the use of both ionic liquid and toluene, although there is a decrease in rate for the ionic liquid reactions. In contrast, internal pore diffusion limits the reaction in both solvents in the rotating disc reactor. This mass transfer resistance reduces the problem of overoxidation of the metal surface when the reaction is carried out in toluene, leading to significantly higher rates of reaction than expected, although at the cost of decreased selectivity.

Bimetallic effects in the liquid phase hydrogenation of 2-butanone

A series of bimetallic Ru-containing monometallic and bimetallic catalysts were prepared and tested for their activity for the hydrogenation of 2-butanone to 2-butanol at 30 °C and 3 bar H2. RuPt bimetallic catalysts were the most active for the reaction, with a ratio of 5 wt% Ru:1 wt% Pt on activated carbon (AC) found to be optimum. The activity of this bimetallic catalyst was more than double that of the sum of the activities of the monometallic Ru and Pt catalysts, providing evidence of a “bimetallic” effect. Structural analysis of the bimetallic catalysts revealed that they consisted of clusters of particles of the order of 1–2 nm. Extended X-ray absorption fine structure analysis showed that there were two types of particle on the surface of the bimetallic RuPt catalyst, specifically monometallic Ru and bimetallic RuPt particles. For the bimetallic particles, it was possible to fit the data with a model in which a Ru core of 1.1 nm is enclosed by two Pt-rich layers, the outer layer containing only 13 at% Ru. Pretreatment of the monometallic and bimetallic catalysts in hydrogen had a significant effect on the activity. Both the bimetallic and monometallic Ru-based catalysts showed a trend of decreasing activity with increasing temperature of prereduction in hydrogen. This loss of activity was almost fully reversible by exposure of the catalysts to air after reduction. The changing activity with exposure to different gas phase environments could not be attributed to changes in particle size or surface composition. It is proposed that the introduction of hydrogen results in a gradual smoothing of the surface and loss of defect sites; this process being reversible on introduction of air. These defect sites are particularly important for the dissociative adsorption of hydrogen, potentially the rate-determining step in this reaction.