Crystal and molecular structures of 1-[3-(3,4-dimethoxyphenyl)-2-propenoyl]pyrrolidine.

The crystal structure of 1-[3-(3,4-dimethoxyphenyl)-2-propenoyl]pyrrolidine (C15H19NO3) (I) has been determined by X-ray analysis. It crystallizes orthorhombic space group Pbca with a = 24.295(3), b = 15.086(3), c = 7.552(3)A, V = 2768(1)A3, Z = 8, Dcalc = 1.254 g/cm3, mu = (Mo K(alpha)) = 0.87 cm(-1). The title compound has analgesic activity of cycloaliphatic amine part. The molecule is deviated from planar configuration.     

The effect of olefinic terminal chains on the mesomorphic properties of 4,4'-disubstituted diphenyldiacetylenes

New diphenyldiacetylenes of the type with A, B = H and/or F; m = 0, 1; n = 1-4; and X = C n H 2n + 1 , F, CF 3 or CN were synthesized and their mesomorphic properties determined by hot stage polarizing microscopy and DSC. When m = 0, all of these compounds showed only a nematic phase except when X = CF 3 when both nematic and smectic A phases were seen. Both clearing and melting temperatures were higher than those reported for substitution with the corresponding alkyl chains but the much larger increase in clearing temperatures produced considerably wider nematic phases. Eutectic mixtures of a few of these olefins yielded nematic materials also having much wider temperature ranges and higher clearing temperatures than the eutectic mixtures of the alkyl compounds, while retaining their high birefringence and low viscosities. Such materials are of interest for beam-steering devices.

Four of the diacetylenes with m = 1 ( A, B = H) were also prepared ( X = C 6 H 13 , F, n = 2, 3). When X was C 6 H 13 ( n = 2), the nematic range was smaller in the 2- than in the 1-olefin but wider than in the alkyl series. When X = F, either no nematic phase or a monotropic one was observed, whereas the 1-olefins gave a much wider nematic phase. Both transition temperatures were lower than those for the corresponding 1-olefin and alkyl analogues. The compound with X = C 6 H 13 and n = 2 had a melting temperature below room temperature.     

Finite element computations of two-dimensional arterial flow in the presence of a transverse magnetic field

A finite element solution of the Navier-Stokes equations for steady flow under the magnetic effect through a double-branched two-dimensional section of a three-dimensional model of the canine aorta is discussed. The numerical scheme involves transforming the physical co-ordinates to a curvilinear boundary-fitted co-ordinate system. The shear stress at the wall is calculated for a Reynolds number of 1000 with the branch-to-main aortic flow rate ratio as a parameter. The results are compared with earlier works involving experimental data and found to be in reasonable qualitative agreement. The steady flow, shear stress and branch flow under the effect of a magnetic field have been discussed in detail.     

Microstructural assessment of InN-on-GaN films grown by plasma-assisted MBE

The structural properties of InN thin films, grown by rf plasma-assisted molecular beam epitaxy on Ga-face GaN/Al₂O₃(0001) substrates, were investigated by means of conventional and high resolution electron microscopy. Our observations showed that a uniform InN film of total thickness up to 1 μm could be readily grown on GaN without any indication of columnar growth. A clear epitaxial orientation relationship of , was determined. The quality of the InN film was rather good, having threading dislocations as the dominant structural defect with a density in the range of 10⁹–10¹⁰ cm⁻². The crystal lattice parameters of wurtzite InN were estimated by electron diffraction analysis to be a=0.354 nm and c=0.569 nm, using Al₂O₃ as the reference crystal. Heteroepitaxial growth of InN on GaN was accomplished by the introduction of a network of three regularly spaced misfit dislocation arrays at the atomically flat interface plane. The experimentally measured distance of misfit dislocations was 2.72 nm. This is in good agreement with the theoretical value derived from the in-plane lattice mismatch of InN and GaN, which indicated that nearly full relaxation of the interfacial strain between the two crystal lattices was achieved.     

Certain constructions of asymptotic analysis related to the Stone-Čcech compactification

The paper considers the representations of attraction sets in topological spaces and their relations with the relaxation of accessibility problems under the conditions of sequentially relaxed constraints. The author studies the structure of approximate (in essence, asymptotic) solutions and generalized elements and establishes the possibility of their real identification for a certain version (related to the Stone-Čech compactification and the Wallman relaxation) of relaxation of the initial problem. __________ Translated from Sovremennaya Matematika i Ee Prilozheniya (Contemporary Mathematics and Its Applications), Vol. 26, Nonlinear Dynamics, 2005.     

Physicochemical studies on hydrophobic PEO‐PPO‐PEO triblock copolymer micelles in SDS micellar environment

The shape, size, aggregation, hydration, and correlation times of water insoluble PEO‐PPO‐PEO triblock copolymer micelles with sodium dodecylsulfate (SDS) micelles were investigated using transport studies and dynamic light scattering technique. From the conductance of micellar solutions of the polymer in 25 mM SDS and 5 mM NaCl, the hydration of polymer micelles were determined using the principle of obstruction of electrolyte migration by the polymer. The asymmetry of the micellar particles of polymer and polymer‐SDS mixed micellar systems in 5 mM NaCl and their average axial ratios were calculated using intrinsic viscosity and hydration data obeying Simha–Einstein equation. Hydration number and micellar sizes were variable with temperature. The shape of the polymer micelles has been ellipsoidal rather than spherical. The micellar volume, hydrodynamic radius, radius of gyration, diffusional coefficients as well as translational, rotational and effective correlation times have been calculated from the absolute values of the axes. The partial molal volume of polymer micelles has also been determined and its comparison with the molar volume of pure polymer suggested a volume contraction due to immobilization of the water phase by the hydrophilic head groups of the polymer. The thermodynamic activation parameters for viscous flow favor a more ordered water structure around polymer micelles at higher temperatures. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2410–2420, 2007     

Finite element method in the solution of the Euler and Navier-Stokes equations for internal flow

Finite element solutions of the Euler and Navier-Stokes equations are presented, using a simple dissipation model. The discretization is based on the weak-Galerkin weighted residual method and equal interpolation functions for all the unknowns are permitted. The nonlinearity is iterated upon using a Newton method and at each iteration the linear algebraic system is solved by a direct solver with all unknowns fully coupled. Results are presented for two-dimensional transonic inviscid flows and two- and three-dimensional incompressible viscous flows. Convergence of the algorithm is shown to be quadratic, reaching machine accuracy in very few iterations. The inviscid results demonstrate the existence of nonunique numerical solutions to the steady Euler equations.     

Growth and study of single crystals of (Na,K)NbO<Subscript>3</Subscript> solid solutions

(Na, K)NbO₃ crystals with a perovskite structure and a KNbO₃ content up to 40 mol % were grown from flux with the use of the solvent NaBO₂. The dielectric measurements of the crystals grown revealed phase transitions that had never been observed before in ceramic samples.