The epitaxial growth of gaas using alkylarsine: Part 2. molecular orbital calculation

Semi-empirical molecular orbital calculations were carried out for the compounds (C₂H₅)₃As, (C₂H₅)₃Ga and RAsH₂ (R = C₂H₅, i-C₃H₇, i-C₄H₉, and t-C₄H₉) by using the CNDO/2-U program, and their capability of β-elimination reaction is compared on the basis of the torsion energy to the transition state, electrostatic interactions and orbital overlapping between the central atom and the β-hydrogen, and bond order of the metal-carbon, and carbon-hydrogen bond. In the comparison of (C₂H₅)₃As with (C₂H₅)₃Ga, we found that the β-elimination of (C₂H₅)₃As could hardly be expected to take place in the thermal decomposition. The capability of β-elimination would be smaller in C₂H₅AsH₂ than that in (C₂H₅)₃As. Moreover when the ethyl group is replaced by a t-butyl group in RAsH₂, the β-elimination reaction appears to become more difficult and a large possibility for a radical process is suggested.     

On the existence and the stability of solutions for higher-order semilinear Dirichlet problems

We investigate the existence and stability of solutions for higher-order two-point boundary value problems in case the differential operator is not necessarily positive definite, i.e. with superlinear nonlinearities. We write an abstract realization of the Dirichlet problem and provide abstract existence and stability results which are further applied to concrete problems.     

Studies on calcium‐containing poly(urethane ether)s

The calcium salt of mono(hydroxyethoxyethyl)phthalate [Ca(HEEP)₂] was synthesized by the reaction of diethylene glycol, phthalic anhydride, and calcium acetate. Calcium‐containing poly(urethane ether)s (PUEs) were synthesized by the reaction of hexamethylene diisocyanate (HMDI) or tolylene 2,4‐diisocyanate (TDI) with a mixture of Ca(HEEP)₂ and poly(ethylene glycol) (PEG₃₀₀ or PEG₄₀₀) with di‐n‐butyltin dilaurate as a catalyst. A series of calcium‐containing PUEs of different compositions were synthesized with Ca(HEEP)₂/PEG₃₀₀ (or PEG₄₀₀)/diisocyanate (HMDI or TDI) molar ratios of 2:2:4, 3:1:4, and 1:3:4 so that the coating properties of the PUEs could be studied. Blank PUEs without calcium‐containing ionic diols were also prepared by the reaction of PEG₃₀₀ or PEG₄₀₀ with HMDI or TDI. The PUEs were well characterized by Fourier transform infrared, ¹H and ¹³C NMR, solid‐state cross‐polarity/magic‐angle‐spinning ¹³C NMR, viscosity, solubility, and X‐ray diffraction studies. The thermal properties of the polymers were also studied with thermogravimetric analysis and differential scanning calorimetry. The PUEs were applied as top coats on acrylic‐coated leather, and their physicomechanical properties were also studied. The coating properties of PUEs, such as the tensile strength, elongation at break, tear strength, water vapor permeability, flexing endurance, cold crack resistance, abrasion resistance, color fastness, and adhesive strength, were better than the standard values. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2865–2878, 2003     

Development of a parallel storm surge model

A new parallel storm surge model, the Parallel Environmental Model (PEM), is developed and tested by comparisons with analytic solutions. The PEM is a 2‐D vertically averaged, wetting and drying numerical model and can be operated in explicit, semi‐implicit and fully implicit modes. In the implicit mode, the propagation, Coriolis and bottom friction terms can all be treated implicitly. The advection and diffusion terms are solved with a parallel Eulerian–Lagrangian scheme developed for this study. The model is developed specifically for use on parallel computer systems and will function accordingly in either explicit of implicit modes. Storm boundary conditions are based on a simple exponential decay of pressure from the centre of a storm. The simulated flooding caused by a major Category 5 hurricane making landfall in the Indian River Lagoon, Florida is then presented as an example application of the PEM. Copyright © 2003 John Wiley & Sons, Ltd.     

20-relative neighborhood graphs are hamiltonian

For any two points p and q in the Euclidean plane, define LUN_pq = { v | v ∈ R², d_pv < d_pq and d_qv < d_pq}, where d_uv is the Euclidean distance between two points u and v . Given a set of points V in the plane, let LUN_pq(V) = V ∩ LUN_pq. Toussaint defined the relative neighborhood graph of V, denoted by RNG(V) or simply RNG, to be the undirected graph with vertices V such that for each pair p,q ∈ V, (p,q) is an edge of RNG(V) if and only if LUN_pq (V) = ?. The relative neighborhood graph has several applications in pattern recognition that have been studied by Toussaint. We shall generalize the idea of RNG to define the k-relative neighborhood graph of V, denoted by kRNG(V) or simply kRNG, to be the undirected graph with vertices V such that for each pair p,q ∈ V, (p,q) is an edge of kRNG(V) if and only if | LUN_pq(V) | < k, for some fixed positive number k. It can be shown that the number of edges of a kRNG is less than O(kn). Also, a kRNG can be constructed in O(kn₂) time. Let E_c = {e_pq| p ∈ V and q ∈ V}. Then G_c = (V,E_c) is a complete graph. For any subset F of E_c, define the maximum distance of F as max_epq∈Fd_pq. A Euclidean bottleneck Hamiltonian cycle is a Hamiltonian cycle in graph G_c whose maximum distance is the minimum among all Hamiltonian cycles in graph G_c. We shall prove that there exists a Euclidean bottleneck Hamiltonian cycle which is a subgraph of 20RNG(V). Hence, 20RNGs are Hamiltonian.     

Linear optical switching in a FLC/waveguide composite device

A fast electrooptic modulation in a polymer waveguide using a ferroelectric liquid crystal has been proposed. In this device, the surface stabilized ferroelectric liquid crystal and the soft mode ferroelectric liquid crystal are used as an active material on the passive polymer waveguide, and electrooptic switching is realized by controlling the total reflection at the polymer waveguide-liquid crystal interface. The response time is of the order of several microseconds. The analogue electrooptic modulation in the waveguide is realized using the field induced linear molecular tilt of the electroclinic effect in the soft mode ferroelectric liquid crystal.     

A Tabu Search Approach for Delivering Pet Food and Flour in Switzerland

In this paper, we consider a real-life vehicle routeing problem that occurs in a major Swiss company producing pet food and flour. In contrast with usual hypothetical problems, a large variety of restrictions has to be considered. The main constraints are relative to the accessibility and the time windows at customers, the carrying capacities of vehicles, the total duration of routes and the drivers' breaks. To find good solutions to this problem, we propose two heuristic methods: a fast straightforward insertion procedure and a method based on tabu search techniques. Next, the produced solutions are compared with the routes actually covered by the company. Our outcomes indicate that the total distance travelled can be reduced significantly when such methods are used.     

Radiation heterogeneous processes of14C-acetic acid adsorbed in Na-Montmorillonite

This research addresses itself to the study of the mechanism of the acetic acid decarboxylation in Na-Montmorillonite exposed to ionizing radiation. The results obtained indicated that the decarboxylation reaction is enhanced several times by the irradiation. This behavior is probably due to an oxidation reaction at the edges of the clay. Also it is by energy transfer from the clay to adsorbed molecules by an interaction of non-equilibrium charge carriers with the adsorbed molecules.     

Separation of screw-sensed particles in a homogeneous shear field

The Stokes motions of three-dimensional screw-sensed slender particles in a homogeneous shear field are investigated, including the effects of buoyancy. Conclusions are drawn about the possibility of achieving a separation of mixtures of right- and left-handed particles. The linearity of the Stokes equations allows complex flows to be solved by adding the effects of the several terms which describe the flow in which the particle is immersed. The homogeneous shear flow considered here consists of three such terms; solutions for a series of 12 unit motions are sufficient to determine the hydrodynamic resistance tensors. The forces and torques experienced by screw-sensed particles are calculated from these 51 resistance tensors, using slender-filament theory. The results allow an estimate of the range of buoyancy parameters for which gravitational sedimentation can be neglected. The fundamental component of the particle motion is a rotation, at approximately the same angular velocity as that of the fluid. Superimposed on this are variations, of large period, in the particle orientation. A phase plane analysis is used to find the terminal orientations. Very long calculation times are required for the phase portrait. An approximate method based on azimuthally-averaged equations is developed to avoid the requirements for long time integration.