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.     

Diffuse x-ray scattering study of the formation of microdefects in heat-treated dislocation-free large-diameter silicon wafers

Diffuse x-ray scattering (DXS) is used to study the formation of microdefects (MDs) in heat-treated dislocation-free large-diameter silicon wafers with vacancies. The DXS method is shown to be efficient for investigating MDs in silicon single crystals. Specific defects, such as impurity clouds, are found to form in the silicon wafers during low-temperature annealing at 450°C. These defects are oxygen-rich regions in the solid solution with diffuse coherent interfaces. In the following stages of decomposition of the supersaturated solid solution, oxide precipitates form inside these regions and the impurity clouds disappear. As a result of the decomposition of the supersaturated solid solution of oxygen, interstitial MDs form in the silicon wafers during multistep heat treatment. These MDs lie in the {110} planes and have nonspherical displacement fields. The volume density and size of MDs forming in the silicon wafers at various stages of the decomposition are determined.     

A numerical study of time-dependent schr?dinger equation for multiphoton vibrational interaction of NO molecule, modelled as Morse oscillator, with intense far-infrared femtosecond lasers

For the NO molecule, modelled as a Morse oscillator, time-dependent (TD) nuclear Schr?dinger equation has been numerically solved for the multiphoton vibrational dynamics of the molecule under a far-infrared laser of wavelength 10503 nm, and four different intensities,I = 1 × 10⁸, 1 × 10¹³, 5 × 10¹⁶, and 5 × 10¹⁸ W cm⁻² respectively. Starting from the vibrational ground state at zero time, various TD quantities such as the norm, dissociation probability, potential energy curve and dipole moment are examined. Rich high-harmonics generation (HHG) spectra and above-threshold dissociation (ATD) spectra, due to the multiphoton interaction of vibrational motions with the laser field, and consequent elevation to the vibrational continuum, have been obtained and analysed. Dedicated to Professor C N R Rao on his 70th birthday An erratum to this article is available at .     

Two observations about free graded hopf algebras

This paper records two results about graded Hopf algebras that do not appear to be stated explicitly in the literature. Let B be a graded set, graded by the positive integers. Let V be the graded vector space with basis B over a field K of characteristic zero and V^'=K⊕V, where K is in grading zero. Let L ne the free graded Lie algebra on B over K and let T be the free graded tensor algebra on B. The first result is the "graded Witt formula" giving the dimension of the subspace of L in each grading. The second result is the observation that any graded coassociative, co-commutative comultiplication Δ:V^'→V^'⊗V^', with co-unit the projection V¹→K. extends to a graded Hopf algebra structure on T that is in fact isomorphic to the natural graded Hopf algebra structure on T. In the ungraded case the statement analogous to the second result is false.     

Partition of Euclidean space into polyhedra induced by a small deformation of the densest lattice sphere packing

The number of combinatorially nonequivalent Dirichlet-Voronoi diagrams constructed for the centers of balls in the packing obtained from the densest lattice packing of equal spheres by a small displacement of the spheres is estimated. __________ Translated from Fundamentalnaya i Prikladnaya Matematika, Vol. 11, No. 5, pp. 79–84, 2005.     

Convergence of optimal controls in some optimization problems

We consider the behavior of bundles of optimal controls when the initial state of the system goes to some given vector. We investigate three types of optimization problems: problems with fixed process length and a free right endpoint; problems with fixed process length and a fixed right endpoint; time-optimal problems. The article is a review of recent results obtained by the author. __________ Translated from Nelineinaya Dinamika i Upravlenie, No. 4, pp. 301–314, 2004.     

Colorings of spaces,and random graphs

This work deals with some problems on the embeddings of finite geometric graphs into the random ones. In particular, we study here applications of the random graph theory to the Nelson-Erdös-Hadwiger problem on coloring spaces.     

The effect of nanoparticle shape on polymer‐nanocomposite rheology and tensile strength

Nanoparticles can influence the properties of polymer materials by a variety of mechanisms. With fullerene, carbon nanotube, and clay or graphene sheet nanocomposites in mind, we investigate how particle shape influences the melt shear viscosity η and the tensile strength τ, which we determine via molecular dynamics simulations. Our simulations of compact (icosahedral), tube or rod‐like, and sheet‐like model nanoparticles, all at a volume fraction ? ≈ 0.05, indicate an order of magnitude increase in the viscosity η relative to the pure melt. This finding evidently can not be explained by continuum hydrodynamics and we provide evidence that the η increase in our model nanocomposites has its origin in chain bridging between the nanoparticles. We find that this increase is the largest for the rod‐like nanoparticles and least for the sheet‐like nanoparticles. Curiously, the enhancements of η and τ exhibit opposite trends with increasing chain length N and with particle shape anisotropy. Evidently, the concept of bridging chains alone cannot account for the increase in τ and we suggest that the deformability or flexibility of the sheet nanoparticles contributes to nanocomposite strength and toughness by reducing the relative value of the Poisson ratio of the composite. The molecular dynamics simulations in the present work focus on the reference case where the modification of the melt structure associated with glass‐formation and entanglement interactions should not be an issue. Since many applications require good particle dispersion, we also focus on the case where the polymer‐particle interactions favor nanoparticle dispersion. Our simulations point to a substantial contribution of nanoparticle shape to both mechanical and processing properties of polymer nanocomposites. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1882–1897, 2007