Interaction of metals with an organic semiconductor: Ag and In on PTCDA

The interaction of Ag and In with a thin film of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) was studied by near-edge X-ray absorption fine structure (NEXAFS). Upon Ag deposition on a PTCDA film of 20 nm thickness the relative intensities and lineshapes, as well as the angular dependence of the spectra remains unchanged, illustrating the formation of a chemically unreactive Ag/PTCDA interface. On the other hand, the adsorption of 0.3 nm In strongly decreases the intensity of the π^* resonances in C and O K-edge NEXAFS spectra. This is attributed to a strong charge transfer between In and PTCDA, leading to a redistribution of the charge in the molecule. However, the absence of a strong shift or new features and negligible dependence of peak intensities corresponding to π^* resonances on the In thickness indicate that the interaction between In and PTCDA is not accompanied by a covalent bond formation.     

Controlled structure and density of “living” polystyrene brushes on flat silica surfaces

Thin layers of polystyrene were grown from surface-grafted nitroxide initiators via controlled “living” free radical polymerization. The “reactive” Langmuir-Blodgett deposition method allowed an effective control of the initiator layer density leading to PS brushes with different and high grafting density and stretching. The influence of the grafting density on the layer structure was studied. Comparison with theoretical predictions for monodispersed brushes in bad solvent was discussed. The thickness was found to vary linearly with molecular weight and the density dependence was shown using wetting measurements. Special features of controlled radical nitroxide polymerization from a surface were discussed. A direct comparison of the molecular weight and polydispersity between surface and bulk polymers was made by de-grafting the brushes into a toluene/HF solution. Finally, some evidence of a “surface Fischer” effect was shown from re-initiated layers. Received 20 December 2001     

Two-spin-majority cellular automaton as a model of 2D cluster and interface growth

A new probabilistic cellular automaton model is introduced to simulate cluster and interface growth in two dimensions. The dynamics of this model is an extension to higher dimensions of the compact directed percolation studied by Essam. Numerical results indicate that the two-dimensional cluster coarsening and growth can be described only approximately by the conventional cluster size scaling due to a crossover in the growth mode. The spreading of the initially flat interface follows a purely diffusional,t ^1/2, law.     

Uniform convergence of Galerkin‐multigrid methods for nonconforming finite elements for second‐order problems with less than full elliptic regularity

In this article we prove uniform convergence estimates for the recently developed Galerkin‐multigrid methods for nonconforming finite elements for second‐order problems with less than full elliptic regularity. These multigrid methods are defined in terms of the “Galerkin approach,” where quadratic forms over coarse grids are constructed using the quadratic form on the finest grid and iterated coarse‐to‐fine intergrid transfer operators. Previously, uniform estimates were obtained for problems with full elliptic regularity, whereas these estimates are derived with less than full elliptic regularity here. Applications to the nonconforming P₁, rotated Q₁, and Wilson finite elements are analyzed. The result applies to the mixed method based on finite elements that are equivalent to these nonconforming elements. © 2002 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 18: 203–217, 2002; DOI 10.1002/num.10004     

Extension of a combined analytical/numerical initial value problem solver for unsteady periodic flow

Here we describe analytical and numerical modifications that extend the Differential Reduced Ejector/ mixer Analysis (DREA), a combined analytical/numerical, multiple species ejector/mixing code developed for preliminary design applications, to apply to periodic unsteady flow. An unsteady periodic flow modelling capability opens a range of pertinent simulation problems including pulse detonation engines (PDE), internal combustion engine ICE applications, mixing enhancement and more fundamental fluid dynamic unsteadiness, e.g. fan instability/vortex shedding problems. Although mapping between steady and periodic forms for a scalar equation is a classical problem in applied mathematics, we will show that extension to systems of equations and, moreover, problems with complex initial conditions are more challenging. Additionally, the inherent large gradient initial condition singularities that are characteristic of mixing flows and that have greatly influenced the DREA code formulation, place considerable limitations on the use of numerical solution methods. Fortunately, using the combined analytical–numerical form of the DREA formulation, a successful formulation is developed and described. Comparison of this method with experimental measurements for jet flows with excitation shows reasonable agreement with the simulation. Other flow fields are presented to demonstrate the capabilities of the model. As such, we demonstrate that unsteady periodic effects can be included within the simple, efficient, coarse grid DREA implementation that has been the original intent of the DREA development effort, namely, to provide a viable tool where more complex and expensive models are inappropriate. Copyright © 2002 John Wiley & Sons, Ltd.     

Flow in a waterfall with large Froude number

An approximate method is developed to solve the full nonlinear equations governing two-dimensional irrotational flow in a free waterfall, falling under the influence of gravity, at high Froude number based on conditions far upstream. Schwarz—Christoffel transformation is used to map the region, in the complex potential-plane, onto the upper half-plane. The Hilbert transformation as well as the perturbation technique, for large Froude number, are used as a basis for the approximate solution of the problem. A complete solution, up to second-order approximation, for the downstream free-surfaces profiles, for different Froude number, is discussed and illustrated. The obtained approximate solutions are compared with those of other authors. Favourable agreement with other results suggests that this method is effective in dealing with flow problems strongly influenced by gravity and high Froude number. The results obtained by this method are sufficiently accurate for practical purposes.     

Spectroscopy of the regenerative soot

The mechanisms and processes of the formation of the regenerative soot in a graphite hollow cathode discharge that produces and emits carbon clusters are presented. Mass spectrometry with a specially designed E×B velocity filter analyzes the entire range of the charged clusters from C ₁ to ∼C ₄₃₀₀. The state of the carbon vapour within the source is evaluated by using the characteristic line emissions from the carbonaceous discharge whose formative mechanisms depend upon the kinetic and potential sputtering of the sooted cathode. The carbonaceous discharge generates atomic and ionic C and its clusters C _m (m≥ 2), noble gas metastable atoms and ions, energetic electrons and photons in the cavity of the graphite hollow cathode. The parameters of soot formation and its recycling depend critically on the discharge parameters, the geometry of the hollow cathode and 3D profile of the cusp magnetic field contours. Received 2nd July 2001 and Received in final form 10 September 2001     

Multispectral imaging of Mars: ISM results

Summary Multispectral imaging of planets opens a new class of studies of atmospheric and surface signatures. With ISM experiment on board Phobos, the first IR multispectral imaging of Mars from space was achieved. In viem of the Future Omega experiment on board Mars 94, we present here a sample of data and results (and problems) which can be achieved by studying spectral reflectance. Paper presented at the V Cosmic Physics National Conference, S. Miniato, November 27–30, 1990.     

Vibrational spectra of (NH4)3ZnCl5

IR and Raman spectra of (NH₄)₃ZnCl₅ have been recorded. The observed spectra have been analysed on the basis of the vibrations of ZnCl ₄ ²⁻ and NH ₄ ⁺ ions. The appearance of multiple Raman bands indicates the presence of two different types of ammonium ions. The effect of anisotropic crystalline field over the ZnCl₄ and NH₄ tetrahedra is also discussed. The assignment of internal modes has been verified by the potential energy distribution calculations.     

A numerical study of an unsteady laminar flow in a doubly constricted 3D vessel

Unsteady flow dynamics in doubly constricted 3D vessels have been investigated under pulsatile flow conditions for a full cycle of period T. The coupled non‐linear partial differential equations governing the mass and momentum of a viscous incompressible fluid has been numerically analyzed by a time accurate Finite Volume Scheme in an implicit Euler time marching setting. Roe's flux difference splitting of non‐linear terms and the pseudo‐compressibility technique employed in the current numerical scheme makes it robust both in space and time. Computational experiments are carried out to assess the influence of Reynolds' number and the spacing between two mild constrictions on the pressure drop across the constrictions. The study reveals that the pressure drop across a series of mild constrictions can get physiologically critical and is also found to be sensitive both to the spacing between the constrictions and the oscillatory nature of the inflow profile. The flow separation zone on the downstream constriction is seen to detach from the diverging wall of the constriction leading to vortex shedding with 3D features earlier than that on the wall in the spacing between the two constrictions. Copyright © 2002 John Wiley & Sons, Ltd.