A symmetry-adapted force-constant lattice-dynamical model for single-walled carbon nanotubes

We develop a lattice-dynamical model based on the screw symmetry of single-walled carbon nanotubes that allows for reducing the size of the dynamical matrix to six, for all tube chiralities. The model uses force constants derived from fitting to the phonon dispersion of 2D graphite. We present the calculation procedure in a clear and transparent way, making the model easier to follow. We calculate the phonon dispersions of a number of nanotubes of different chiralities. The splitting of two highest Raman active modes and the radial breathing mode frequency are studied by changing the tube diameter and chirality.     

Some results of the local theory of smooth functions

We present results of the investigation of the local behavior of smooth functions in neighborhoods of their regular and critical points and prove theorems on the mean values of the functions considered similar to the Lagrange finite-increments theorem. We also study the symmetry of the derivative of an analytic function in the neighborhood of its multiple zero, prove new statements of the Weierstrass preparation theorem related to the critical point of a smooth function with finite smoothness, determine a nongradient vector field of a function in the neighborhood of its critical point, and consider one critical case of stability of an equilibrium position of a nonlinear system. __________ Translated from Ukrains’kyi Matematychnyi Zhurnal, Vol. 59, No. 2, pp. 231–267, February, 2007.     

Impact of two mass scale oscillations on the analysis of atmospheric and reactor neutrino data

We study the stability of the results of the three-neutrino oscillation analysis of atmospheric and reactor neutrino data under departures of the one dominant mass scale approximation. In order to do so we perform the analysis of atmospheric and reactor neutrino data in terms of three-neutrino oscillations where the effect of both mass differences is explicitly considered. We study the allowed parameter space resulting from this analysis as a function of the mass splitting hierarchy parameter which parameterizes the departure from the one dominant mass scale approximation. We consider schemes with both direct and inverted mass ordering. Our results show that in the analysis of the atmospheric data the derived range of the largest mass splitting, , is stable, while the allowed ranges of mixing angles and are wider than those obtained in the one dominant mass scale approximation. Inclusion of the CHOOZ reactor data in the analysis results in the reduction of the parameter space in particular for the mixing angles. As a consequence the final allowed ranges of the parameters from the combined analysis are only slightly broader than when obtained in the one dominant mass scale approximation. Received: 31 May 2002 / Revised version: 10 July 2002 / Published online: 31 October 2002     

Photothermal techniques applied to the determination of the water vapor diffusion coefficient and thermal diffusivity of edible films.

Water vapor diffusion coefficient (WVDC) and thermal diffusivity (alpha) were determined in gelatin-starch films through photothermal techniques. The effect of different variables in the elaboration of these films, such as starch and glycerol concentrations and pH, were evaluated through the response surface methodology. The results indicated that an increase in the glycerol concentration and pH favored the WVDC of the films. On the other hand, alpha was influenced principally by the starch content and pH of the film-forming solution. The minimum alpha value was 4.5 x 10(-4) cm2/s, which is compared with alpha values reported for commercial synthetic polymers.     

Ethylene/1‐hexene copolymerization with tetramethyldisiloxane‐bridged bis(indenyl) metallocenes

Ethylene/1‐hexene copolymerizations with disiloxane‐bridged metallocenes, rac‐ and meso‐1,1,3,3‐tetramethyldisiloxanediyl‐bis(1‐indenyl)zirconium dichloride (rac‐ 1 , meso‐ 1 ) activated by modified methylaluminoxane were performed to investigate the influence of conformational dynamics on comonomer selectivity. Although ¹H NOESY (nuclear Overhauser and exchange spectroscopy) analysis indicated that the most stable conformation for the meso isomer in solution was that in which both indenes project over the metal coordination site, this isomer showed higher 1‐hexene selectivity in copolymerization (r_e = 140 ± 30, r_h = 0.024 ± 0.004) than the rac isomer with only one indene over the coordination site (r_e = 240 ± 20, r_h = 0.005 ± 0.001). The meso isomer showed high 1‐hexene selectivity, a high product of reactivity ratios (r_er_h = 3.3 ± 0.5) and produced copolymers that could be separated into fractions with different ethylene content suggesting that the active species exhibited multisite behavior and populated conformations with different comonomer selectivities during the copolymerization. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3323–3331, 2004     

Solution of the hyperbolic mild‐slope equation using the finite volume method

A finite volume solver for the 2D depth‐integrated harmonic hyperbolic formulation of the mild‐slope equation for wave propagation is presented and discussed. The solver is implemented on unstructured triangular meshes and the solution methodology is based upon a Godunov‐type second‐order finite volume scheme, whereby the numerical fluxes are computed using Roe's flux function. The eigensystem of the mild‐slope equations is derived and used for the construction of Roe's matrix. A formulation that updates the unknown variables in time implicitly is presented, which produces a more accurate and reliable scheme than hitherto available. Boundary conditions for different types of boundaries are also derived. The agreement of the computed results with analytical results for a range of wave propagation/transformation problems is very good, and the model is found to be virtually paraxiality‐free. Copyright © 2003 John Wiley & Sons, Ltd.