Integrating nonlinear branch-and-bound and outer approximation for convex Mixed Integer Nonlinear Programming

In this paper, we present a new hybrid algorithm for convex Mixed Integer Nonlinear Programming (MINLP). The proposed hybrid algorithm is an improved version of the classical nonlinear branch-and-bound (BB) procedure, where the enhancements are obtained with the application of the outer approximation algorithm on some nodes of the enumeration tree. The two methods are combined in such a way that each one collaborates to the convergence of the other. Computational experiments with benchmark instances of the MINLP problem show the good performance of the proposed algorithm, which is compared to the outer approximation algorithm, the nonlinear BB algorithm and the hybrid algorithm implemented in the solver Bonmin.     

Subgradient Method for Convex Feasibility on Riemannian Manifolds

In this paper, a subgradient type algorithm for solving convex feasibility problem on Riemannian manifold is proposed and analysed. The sequence generated by the algorithm converges to a solution of the problem, provided the sectional curvature of the manifold is non-negative. Moreover, assuming a Slater type qualification condition, we analyse a variant of the first algorithm, which generates a sequence with finite convergence property, i.e., a feasible point is obtained after a finite number of iterations. Some examples motivating the application of the algorithm for feasibility problems, nonconvex in the usual sense, are considered.     

Optical properties of single wall carbon nanotubes dispersed in biopolymers

In this paper we report the optical studies of single wall carbon nanotubes dispersed in biomaterials. We have obtained very stable suspensions of SWNTs, which allowed us to get good photoluminescence signal from the individually dispersed nanotubes. These new hybrid systems may find some applications in bionanocomposites with photoluminescence properties and in biosensors. Furthermore, the dispersion of carbon nanotubes in these biocompatible materials is important for evaluating the toxicity of either isolated or lightly bundled single wall carbon nanotubes.     

Peierls transition in helical structures

Summary In long molecules with helical structure it is shown that the electron’s response functionF(q,T) is singular for various wave vectors. Then deformed phases associated with different periodicites can occur as a function of external pressure. The calculation was done as a function of temperature and for small number of atoms per turn.

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Riassunto Si mostra in lunghe molecole con struttura elicoidale che la funzione di risposta dell’elettroneF(q, T) è singolare per vari vettori d’onda. Allora possono verificarsi fasi deformate associate a diverse periodicità in funzione della pressione esterna. Si effettua il calcolo in funzione della temperatura e per un numero ridotto di atomi per spira.

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Резюме В длинных молекулах с геликоидальной структурой показывается, что функция электронного откликаF(q, T) является сингулярной для различных волновых векторов. В связи с этим могут возникать деформированные фазы, связанные с различными периодичностями, в зависимости от внешнего давления. Проводятся вычисления в зависимости от температуры и для малого числа атомов на виток.

     

Electronic and magnetic properties of double perovskites (, Ca)

We have studied the magnetic and electronic properties of double perovskites A₂FeReO₆ with A=Ba and Ca using ab initio methods based on density functional theory. It has been shown that when changing Ba by Ca the system undergoes a metal–insulator transition coincidentally to a structural phase transition, even if conduction band fillings are not significantly changed. Our results suggest that only considering a quite large correlation term on the Re site could explain an insulating character for Ca₂FeReO₆. Instead, we found that small correlations could induce a bad metallic behavior as suggested in more recent experiments.     

Low temperature magnetic properties of NdCu2

μSR experiments on NdCu₂ give evidence for short range order below 25\ K above T_N=6.5\ K. No signal was detected between 16\ K and 1.2\ K where neutron scattering reveals an incommensurate spin structure. Below 1.2\ K the μSR signal is recovered and shows a rotation with 22 MHz. This is interpreted with a squaring up of Nd spins accompanied by a decrease of magnon excitations which is reflected in a decrease of damping of the muon signal. This revised version was published online in July 2006 with corrections to the Cover Date.     

Correlating natural ageing and Xenon irradiation of Paraloid B72 applied on stone

The ageing of Paraloid^® B72, an acrylic copolymer extensively used in conservation of works of art, has been investigated either under artificial irradiation (Xenon lamp) or in natural environment (external exposure) with the aim to correlate the results of the accelerate test with the real situation. For a better understanding of the involved mechanisms some acrylic homo-polymers were also subjected to the artificial ageing test. Molecular changes induced by ageing were followed by infrared spectroscopy (FT-IR) and size exclusion chromatography (SEC), while the efficiency of the treatment was checked by water capillary absorption test and colour determinations. The results obtained indicate that it is possible to discriminate, easily and within reasonable laboratory time experiment, between polymers that can be used in Conservation, and the macromolecules that should not be employed due to short efficacy life-times.     

Development of a Protein-Rich By-Product by 23 Factorial Design: Characterization of Its Nutritional Value and Sensory Analysis

The aim of this study was the development of a cereal bar based on bee pollen (BP), honey (H), and flour by-products (peel passion fruit flour—PPFF), generating an innovative product. BP is a protein-rich ingredient and can be used in the composition of cereal bars. PPFF is a by-product rich in fibers. The formulations were developed using a 2³ factorial design with four replicates in the center point, studying the sensory analysis as a response variable. The texture and nutritional parameters were performed for the optimal formulation. BP showed ca. 15% of protein. The final formulation (10.35% BP, 6.8% PPFF, and 25% H) presented 22.2% moisture, 1.8% ash, 0.4% total fat, 3.0% fiber, 63.1% carbohydrates, and 74.0 Kcal/25 g. The sensory analysis presented valued around 7 (typical of a traditional bar). Regarding the possibility of purchasing the product, 51% of the panelists said they would probably buy the developed product. The formulated cereal bar had a similar composition as those already marketed. Moreover, it can be considered a source of fiber and is sensory acceptable. This approach opens up new opportunities for developing nutritional and functional foodstuff with improved sensorial aspects.