Metal complexes of 2-hetarylindandiones-1,3

The chelate and molecular complexes of 2-(2-benzazolyl, perimidyl)-indandiones-1,3 were synthesized for the first time. The structures of the ligands (tautomeric forms) and complex compounds were determined from the X-ray diffraction, ¹H, ¹³C NMR, and IR data and the quantum-chemical calculations (RHF SCF in 6-31 G** basis).     

Globally anisotropic high porosity silica aerogels

We discuss two methods by which high porosity silica aerogels can be engineered to exhibit global anisotropy. First, anisotropy can be introduced with axial strain (i.e. axial compression). In addition, intrinsic anisotropy can result during growth and drying stages and, suitably controlled, it can be correlated with preferential radial shrinkage in cylindrical samples. We have performed small angle X-ray scattering (SAXS) to characterize these two types of anisotropy. We show that global anisotropy originating from either strain or shrinkage leads to optical birefringence and that optical cross-polarization studies are a useful characterization of the uniformity of the imposed global anisotropy.     

Geometric modeling of homoepitaxial CVD diamond growth: I. The {1 0 0}{1 1 1}{1 1 0}{1 1 3} system

Plasma-assisted CVD homoepitaxial diamond growth is a process that must satisfy many stringent requirements to meet industrial applications, particularly in high-power electronics. Purity control and crystalline quality of the obtained samples are of paramount importance and their optimization is a subject of active research. In the process of such studies, we have obtained high purity CVD diamond monocrystals with unusual morphologies, namely with apparent {1 1 3} stable faces. This phenomenon has led us to examine the process of CVD diamond growth and build up a 3D geometrical model, presented here, describing the film growth as a function of time. The model has been able to successfully describe the morphology of our obtained crystals and can be used as a predictive tool to predetermine the shape and size of a diamond crystal grown in a given process configuration. This renders accessible control of desirable properties such as largest usable diamond surface area and/or film thickness, before the cutting and polishing manufacture steps take place. The two latter steps are more sensitive to the geometry of the growth sectors, which will be addressed in a companion paper.Our model, applicable to the growth of any cubic lattice material, establishes a complete mapping of the final morphology state of growing diamond, as a function of the growth rates of the crystalline planes considered, namely {1 0 0}, {1 1 1}, {1 1 0}, and {1 1 3} planes, all of which have been observed experimentally in diamond films. The model makes no claim as to the stability of the obtained faces, such as the occurrence of non-epitaxial crystallites or twinning. It is also possible to deduce transient behavior of the crystal morphology as growth time is increased. The model conclusions are presented in the form of a series of diagrams, which trace the existence (and dominance) boundaries of each face type, in presence of the others, and where each boundary crossing represent a topology change in terms of number of faces, edges and vertices. We validate the model by matching it against crystals published in the literature and illustrate its predictive value by suggesting ways to increase usable surface area of the diamond film.     

Problem of the free oscillations of a capillary bridge

The free oscillations of a capillary bridge whose equilibrium shape is determined by the surface tension forces and the static gravity field are investigated. The values of 25 “lower” levels of the spectrum of natural oscillations of the capillary bridge are found for various control parameters in accordance with the experimental conditions.     

Production of superfine fibers by the electrospinning method

Weakly conducting fluid flows in an electric field in the presence of phase interfaces are investigated theoretically and experimentally. The object of the investigation is an axisymmetric jet. The analysis is carried out within the framework of electrohydrodynamics (EHD) with allowance for surface charge transfer on mobile interfaces. The jet shape is calculated at large distances from the outflow point. The theoretical and experimental data are compared for Newtonian and polymeric fluids.     

Spatially localized states in Marangoni convection in binary mixtures

Two-dimensional Marangoni convection in binary mixtures is studied in periodic domains with large spatial period in the horizontal. For negative Soret coefficients convection may set in via growing oscillations which evolve into standing waves. With increasing amplitude these waves undergo a transition to traveling waves, and then to more complex waveforms. Out of this state emerge stable stationary spatially localized structures embedded in a background of small amplitude standing waves. The relation of these states to the time-independent spatially localized states that characterize the so-called pinning region is investigated by exploring the stability properties of the latter, and the associated instabilities are studied using direct numerical simulation in time.     

Simulation of interaction between a rarefied gas jet and an obstacle by the methods of molecular dynamics

An efficient method of direct numerical simulation is proposed. The steady-state flow field generated by the impingement of a gas jet on a wall is studied as an example. The numerical results obtained during this study are in good agreement with the numerical solutions of other authors.     

Water wave radiation by a sphere submerged in water with an ice-cover

Using the multipoles method, we formulate the problems of radiation (both heave and sway) of water waves by a submerged sphere in deep as well as in uniform finite depth water with an ice-cover, with the ice-cover being modelled as an elastic plate of very small thickness. In each case this leads to an infinite system of linear equations which are solved numerically by standard techniques. The added-mass and damping coefficients for a heaving and swaying sphere are obtained and depicted graphically against the wave number for various values of the radius of the submerged sphere and flexural rigidity of the ice-cover to show the effect of the presence of ice-cover on these quantities. When the flexural rigidity is taken to be zero, the numerical results for the added-mass and damping coefficient for water with a free surface are recovered.     

Nucleophilic addition to acetylenes in superbasic catalytic systems: XV. Vinylation of 2-hydroxymethylfuran

2-Hydroxymethylfuran reacted with acetylene in superbasic catalytic systems MOH-DMSO (M = Na, K) under mild temperature conditions (75–85°C, 1–2 h), yielding 80% of 2-vinyloxymethylfuran. The product, as well as acetaldehyde acetals derived therefrom, turned out to be promising as modifiers for electrolyte in lithium-sulfur rechargeable batteries.