Light within small particles

We calculate the energy density distribution in the ultraviolet within small spheres containing concentric cavities, aimed at simulating interstellar dust grains. We explore the dependence on chemical composition by progressively changing, in an arbitrary way, the refractive index of the sphere material. We conclude that a significant fraction of the energy of the impinging radiation is trapped throughout the particle interior.     

Solving large set covering problems for crew scheduling

This paper presents a computationally effective heuristic method which produces good-quality solutions for large-scale set covering problems with thousands of constraints and about one million variables. The need to solve such large-scale problems arises from a crew scheduling problem of mass transit agencies where the number of work shifts required has to be minimized. This problem may be formulated as a large-scale non-unicost set covering problem whose rows are trips to be performed while columns stand for round trips. The proposed method is mainly based on lagragian relaxation and sub-gradient optimization. After the reduction of the number of rows and columns by the logical tests, “greedy” heuristic algorithms provide upper and lower bounds which are continuously improved to produce goodquality solutions. Computational results, regarding randomly generated problems and real life problems concerning crew scheduling at Italian Railways Company, show that good-quality solutions can be obtained at an acceptable computational cost. This work was supported by the project “Progetto Finalizzato Transporti 2” of National Research Council of Italy (C.N.R.) contract No. 94.01436PF74 and by “Ferrovie dello Stato S.p.A.”     

Electron paramagnetic resonance, scanning electron microscopy with energy dispersion X-ray spectrometry, X-ray powder diffraction, and NMR characterization of iron-rich fired clays

The aim of this study is to clarify the structure of an iron-rich clay and the structural changes involved in the firing process as a preliminary step to get information on ancient ceramic technology. To this purpose, illite-rich clay samples fired at different temperatures were characterized using a multitechnique approach, i.e., by electron paramagnetic resonance, scanning electron microscopy with electron dispersion X-ray spectrometry, X-ray powder diffraction, magic angle spinning and multiple quantum magic angle spinning NMR. During firing, four main reaction processes occur: dehydration, dehydroxylation, structural breakdown, and recrystallization. When the results are combined from all characterization methods, the following conclusions could be obtained. Interlayer H2O is located close to aluminum in octahedral sites and is driven off at temperatures lower than 600 degrees C. Between 600 and 700 degrees C dehydroxylation occurs whereas, between 800 and 900 degrees C, the aluminum in octahedral sites disappears, due to the breakdown of the illite structure, and all iron present is oxidized to Fe3+. In samples fired at 1000 and 1100 degrees C iron clustering was observed as well as large single crystals of iron with the occurrence of ferro- or ferrimagnetic effects. Below 900 degrees C the aluminum in octahedral sites presents a continuous distribution of chemical shift, suggesting the presence of slightly distorted sites. Finally, over the whole temperature range, the presence of at least two tetrahedral aluminum sites was revealed, characterized by different values of the quadrupolar coupling constant.     

EVE-OPT: a hybrid algorithm for the capacitated vehicle routing problem

This paper presents EVE-OPT, a Hybrid Algorithm based on Genetic Algorithms and Taboo Search for solving the Capacitated Vehicle Routing Problem. Several hybrid algorithms have been proposed in recent years for solving this problem. Despite good results, they usually make use of highly problem-dependent neighbourhoods and complex genetic operators. This makes their application to real instances difficult, as a number of additional constraints need to be considered. The algorithm described here hybridizes two very simple heuristics and introduces a new genetic operator, the Chain Mutation, as well as a new mutation scheme. We also apply a procedure, the k-chain-moves, able to increase the neighbourhood size, thereby improving the quality of the solution with negligible computational effort. Despite its simplicity, EVE-OPT is able to achieve the same results as very complex state-of-the art algorithms.     

De formae,in quam geometra britannicus Hamilton integralia mechanices analyticae redegit,origine genuina

Den Wiederabdruck dieser Abhandlung rechtfertigt der bedeutsame Inhalt, der zu den für die moderne analytische Mechanik fundamentalen Untersuchungen von Lipschitz und Beltrami in nächster Beziehung steht. S. Schlömilch's Ztschr. Bd. 45 hist.-litter. Abth. S. 118. Die Abhandlung ist als Gratulationsschrift der Universität Dorpat für die Sternwarte Pulkowa erschienen, aber wie es scheint bis jetzt unbekannt geblieben. Sie trägt den Titel: Imperiali speculae astronomicae Pulcoviensi a. d. VII id. Aug. a. MDCCCLXIV quintum lustrum exactum celebranti gratulatur Universitas literarum Caesarea Dorpatensis. Inest Ferdinandi Mindingii disquisitio de formae, in quam geometra britannicus Hamilton integralia mechanices analyticae redegit, origine genuina. Dorpati Livonorum. Typis C. Mattiesenii. MDCCCLXIV. Sodann folgt eine Widmung: Speculae in Rossia primariae quinque lustra feliciter peracta congratulantes et Deum Optimum Maximum sospitet eam ac prosperet in perpetuum promovendae ut scientiae naviter pergat inservire maxima huius imperii generisque humani cum utilitate comprecantes studii oservantiaeque documentum hasce pagellas misimus Universitatis Literarum Dorpatensis Rector et Senatus.     

Kinetic comparison of isomeric oligo(ethylene oxide) (meth)acrylates: Aqueous polymerization of oligo(ethylene oxide) methyl ether methacrylate and methyl 2-(oligo(ethylene oxide) methyl ether)acrylate macromonomers

The photoinduced energy/electron transfer-reversible addition-fragmentation chain transfer (PET-RAFT) polymerizations of oligo(ethylene oxide) monomethyl ether methacrylate (OEOMA, also known as poly[ethylene glycol] methyl ether methacrylate, PEGMA) and isomeric methyl 2-(oligo(ethylene oxide) methyl ether)acrylate (2OEOAM) macromonomers with OEO average degree of polymerization of 22 or 45 were conducted in aqueous media to provide insight into the effect of monomer structure on grafting-through RAFT of 1,1-disubstituted acrylic macromonomers. The polymerizations of all four monomers reached nearly quantitative conversion. The longer macromonomers polymerized faster than the shorter ones within the same monomer class. The OEO side chain at the α (i.e., 2-) position of isomeric acrylates significantly slowed RAFT polymerization in comparison with OEO ester side chain of methacrylates.     

On plastic dynamics of discrete structural models

Summary This paper discusses the dynamic loading of rigid-perfectly plastic structures by adopting a structural model discretized with constant stress finite elements. This assumption together with the hypothesis of small displacements and of a piecewise linear yield surface leads to the formulation of a problem in linear inequalities, which is, implicitly, time discretized. It is shown how the non linearity of the associated plastic flow laws leads to an equivalent extremal formulation. A numerical algorithm for solving the problem is directly derived from the mechanical statements. Numerical examples illustrate this approach. In the appendix an approximate technique is developed, which takes into account the influence of the strain-hardening and the strain rate sensitivity of material.

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Sommario Il problema del caricamento dinamico delle strutture rigido-plastiche viene affrontato attraverso un modello discretizzato per elementi finiti a stato di sollecitazione costante. Tale assunzione insieme alle ipotesi di superficie di plasticizzazione lineare a tratti e di piccoli spostamenti, conduce alla formulazione di un problema retto da diseguaglianze lineari che si presenta discretizzato, implicitamente, nel tempo. Si mostra che la non linearità delle leggi del flusso plastico associato conduce ad una equivalente formulazione di estremo.È esposto un algoritmo risolvente affatto aderente alla formulazione meccanica. Alcuni esempi illustrano il procedimento. Una proposta di adattamento al caso di materiali incrudenti e sensibili alle velocità di deformazione è presentata in appendice.

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Research supported by the National Research Council (C.N.R. - P.A.d.I.S.) of Italy.     

Uncatalyzed and solvent-free multicomponent process for the synthesis of biphenyl-2-carbonitrile derivatives

An innovative route to prepare a number of variously substituted new biphenyl derivatives is presented here. The protocol avoids the use of a catalyst, an organic solvent, and dry conditions. [reaction: see text]     

X-Ray Structural Analysis of Ethyl [2,2-dimethyl-6-(Δ2-thiazolin-2-yl)-4H-1,4-benzoxazin-3-one-4-yl]butyrate

With the aim of discovering new molecules with K⁺ channel modulating properties, we have synthesized analogues of cromakalim, an important molecule which shows specific affinity toward the K⁺ channels, by replacing the benzopyrane ring with a benzoxazine moiety. As a part of this study, we have synthesized and characterized, in solution and in the solid state as well, the compound ethyl [2,2-dimethyl-6-(²-thiazolin-2-yl)-4H-l,4-benzoxazin-3-one-4-yl]butyrate (V). This compound exhibits in the solid state the following parameters: molecular formula C₁₉H₂₄N₂O₄S, triclinic, space group , M_w = 376.5, a = 12.581(3) Å, b = 5.485(4) Å, c = 14.612(2) Å, = 91.85(2), = 108.9(3), = 82.04(4), V = 944.7 ų, Z = 2, d = 1.323 g·cm^–3. We describe here the synthesis and discuss the solid-state conformation of this new molecule; when tested on rat aorta ring precontracted with phenylephrine, the compound showed a concentration-dependent relaxation comparable to that measured for cromakalin taken as reference drug.