Clustering of spectra and fractals of regular graphs

We exhibit a characteristic structure of the class of all regular graphs of degree d that stems from the spectra of their adjacency matrices. The structure has a fractal threadlike appearance. Points with coordinates given by the mean and variance of the exponentials of graph eigenvalues cluster around a line segment that we call a filar. Zooming-in reveals that this cluster splits into smaller segments (filars) labeled by the number of triangles in graphs. Further zooming-in shows that the smaller filars split into subfilars labeled by the number of quadrangles in graphs, etc. We call this fractal structure, discovered in a numerical experiment, a multifilar structure. We also provide a mathematical explanation of this phenomenon based on the Ihara-Selberg trace formula, and compute the coordinates and slopes of all filars in terms of Bessel functions of the first kind.     

The magnetism of rare earth intermetallics RFe4Al8

Hyperfine Interactions - The YFe4Al8 and ErFe4Al8 intermetallics were studied by57Fe Mössbauer spectroscopy between 2 K and room temperature. The spectra are consistent with iron occupying 8f...     

Differentiation of species of the Baccharis genus by HPLC and chemometric methods.

Phytochemical investigation of the aerial parts of three Baccharis species (Asteraceae family) was performed using HPLC and chemometric methods, with the objective of distinguishing between three morphologically very similar species: Baccharis genistelloides Persoon var. trimera (Less.) DC, B. milleflora (Less.) DC and B. articulata (Lam.) Persoon. With the help of Principal Component Analysis (PCA) and variance weights, it was possible to characterize the chromatographic profiles of the alcoholic extracts of the three species. Application of Soft Independent Modeling of Class Analogy (SIMCA) and K-Nearest Neighbor (KNN) methods on a training set of 74 extracts resulted in models that correctly classified all eight samples in an independent test set.     

Kaon production from 1 to 40 AGeV

Kaon production is studied within the Giessen Boltzmann–Uehling–Uhlenbeck (GiBUU) model. Results are compared with experiment and with other models. The influence of the kaon potential on the kaon azimuthal distributions at SIS energies is considered. We also discuss the role of the many-body collisions at high-density phase of reaction.     

Making equation of state models predictive: Part 2: An improved PCP-SAFT equation of state

We use the PCP-SAFT equation of state, which is of the Van der Waals type and has a sound physical basis, to predict mixture properties, such as vapor–liquid and liquid–liquid equilibria, as well as excess enthalpies. We use molecular properties, such as dipole moment, quadrupole moment, polarizability and dispersion interaction coefficients, that have been determined quantum mechanically in Part I of this publication and adjust the remaining three pure compound parameters to pure compound data. We finally present a new combination rule for the dispersion energy parameter ? that is based on the quantum mechanically determined data. The predictions based on quantum mechanically determined pure compound properties along with the new combination rule show an improved performance compared to the original PCP-SAFT combination rule.     

A novel approach based on recurrent neural networks applied to nonlinear systems optimization

This paper presents an efficient approach based on recurrent neural network for solving nonlinear optimization. More specifically, a modified Hopfield network is developed and its internal parameters are computed using the valid subspace technique. These parameters guarantee the convergence of the network to the equilibrium points that represent an optimal feasible solution. The main advantage of the developed network is that it treats optimization and constraint terms in different stages with no interference with each other. Moreover, the proposed approach does not require specification of penalty and weighting parameters for its initialization. A study of the modified Hopfield model is also developed to analyze its stability and convergence. Simulation results are provided to demonstrate the performance of the proposed neural network.     

3D molecular imaging SIMS

Thin monolayer and bilayer films of spin cast poly(methyl methacrylate) (PMMA), poly(2-hydroxyethyl methacrylate) (PHEMA), poly(lactic) acid (PLA) and PLA doped with several pharmaceuticals have been analyzed by dynamic SIMS using SF₅⁺ polyatomic primary ion bombardment. Each of these systems exhibited minimal primary beam-induced degradation under cluster ion bombardment allowing molecular depth profiles to be obtained through the film. By combing secondary ion imaging with depth profiling, three-dimensional molecular image depth profiles have been obtained from these systems. In another approach, bevel cross-sections are cut in the samples with the SF₅⁺ primary ion beam to produce a laterally magnified cross-section of the sample that does not contain the beam-induced damage that would be induced by conventional focussed ion beam (FIB) cross-sectioning. The bevel surface can then be examined using cluster SIMS imaging or other appropriate microanalysis technique.     

Voltammetric determination of methyl parathion, ortho, meta and para nitrophenol with a carbon paste electrode modified with C18

Summary The determination of methyl-parathion (MPT), ortho (ONP), meta (MNP) and para nitrophenol (PNP) has been studied by differential pulse voltammetry with a carbon-paste electrode modified with 50% (w/w) of C₁₈. A study of the influence of the pH in the preconcentration cell and the measurement cell was carried out for an electrode with 50% modifier and an accumulation time of 5 min. The voltammograms were recorded with a sweep rate of 40 mV s^–1 and a pulse amplitude of 50 mV. With the optimum conditions of pH for both of the steps, various other variables were studied. The variables for each compound were optimized and the possibility of application to the determination of a mixture of the four compounds was investigated. The determination limits found for all the compounds are: 2 ng ml^–1 for ONP, 5 ng ml^–1 for MNP, 4.3 ng ml^–1 for PNP and 7.9 ng ml^–1 for MPT. The method was applied to samples of a small lake which gathers rain water and water filtered from land on which cereals are grown.     

Time-scale and excitation energy partition in sequential binary decays induced by heavy-ion collisions at ≃6 MeV·A

We studied the sequential binary decay of the systems ³²S+⁴⁵Sc, ⁷⁶Ge, ⁸⁹Y, ⁵⁹Co, ⁶³Cu and ¹⁹F+⁶³Cu induced by collisions at ≃6 MeV·A. The two stages of the process have reaction-times compatible with the dynamics of different mechanisms. The study of the excitation energy partition shows that the reaction mechanism of the first step has influence on the de-excitation of the primary fragments producing two decay components which have different time scale. Received: 25 March 1997 / Revised version: 2 December 1997