Efficient discretization of pressure‐correction equations on non‐orthogonal grids

An alternative discretization of pressure‐correction equations within pressure‐correction schemes for the solution of the incompressible Navier–Stokes equations is introduced, which improves the convergence and robustness properties of such schemes for non‐orthogonal grids. As against standard approaches, where the non‐orthogonal terms usually are just neglected, the approach allows for a simplification of the pressure‐correction equation to correspond to 5‐point or 7‐point computational molecules in two or three dimensions, respectively, but still incorporates the effects of non‐orthogonality. As a result a wide range (including rather high values) of underrelaxation factors can be used, resulting in an increased overall performance of the underlying pressure‐correction schemes. Within this context, a second issue of the paper is the investigation of the accuracy to which the pressure‐correction equation should be solved in each pressure‐correction iteration. The scheme is investigated for standard test cases and, in order to show its applicability to practical flow problems, for a more complex configuration of a micro heat exchanger. Copyright © 2003 John Wiley & Sons, Ltd.     

A two dimensional, experimental study on the evolution of the detachment and its time-behavior in filled rubber

Summary The detachment of a rubber matrix from a rigid inclusion under monotonic loading and at subsequent relaxation is investigated within two dimensional analysis. Examined are stress–strain experimental data acquired with the help of a test bed equipped with a digital image-acquisition device. The influence of the interfacial bonding strength and the particle size on the detachment process is analyzed. The influence of the interfacial bonding strength is visible in the stress–strain diagram of loading and in the recorded images. The relaxation test reveals no influence of the bonding strength on the stress-relaxation. However, the image analysis indicates a secondary transient creep of the contour of detachment, which depends on the interfacial bonding.     

Symmetry specified enumeration of substituted derivatives: an easy solution to the complex problem

Several sophisticated methods to solution of symmetry specified enumeration problems are available in the modern literature. In this paper we propose a simple technique that allows one to manually compute the exact numbers of fixed-symmetry derivatives for a given structure either with inclusion or ignoring the substitution patterns. The basic idea of the method suggested consists in the derivation of Pólya-like cycle indices for the automorphism groups of specially constructed orbit partition graphs; the expansion of these indices and subsequent simple calculations result in the desired numbers of substituted derivatives with achiral substituents. Limitations of the new technique (and a method suggested earlier) depend on the relevance of the orbit partitions for particular subgroups of the point symmetry group. For illustration purposes, the results obtained for the prismane (D _3h ) and adamantane (T _d ) structures are discussed. In the former case the numbers of substituted derivatives can be found for all subgroups of the D _3h group, whereas in the latter case these numbers can be determined for eight out of eleven subgroups of the T _d point symmetry group. This work is based on the text of the lecture presented by the authors at the 5th All-Russia Conference on Molecular Modeling (Moscow, April 2007). The paper deals with the methodology and detailed treatment of applied aspects related to solution of enumeration problems for substituted derivatives with prescribed symmetry groups. Unlike the known methods of symmetry specified enumeration, the technique suggested is simple enough and may be regarded as generalization of the Pólya methodology, which is widely used by chemists. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 227–245, February, 2008.     

Effect of the incomplete accommodation of the heterogeneous recombination energy on heat fluxes to a quartz surface

Taking both the heterogeneous catalytic processes, including the surface formation of particles with excited internal degrees of freedom, and the processes of multicomponent diffusion and heat transfer in the MESOX apparatus fully into account makes it possible to obtain a recombination coefficient and an accommodation coefficient of the oxygen-atoms-on-quartz recombination energy which are in good agreement with the experimental data. The heterogeneous catalysis model constructed can be used effectively for predicting the heat fluxes to the surface of reentry vehicles on their entry into the Earth’s atmosphere.     

Synthesis and characterization of wholly aromatic poly(azomethine)s containing donor–acceptor triphenylamine moieties

N‐(4‐nitrophenyl)‐4′,4″‐bisformyl‐diphenylamine was synthesized from N‐(4‐nitrophenyl)‐diphenylamine by the Vilsmeier‐Haack reaction. Soluble aromatic poly(azomethine)s (PAMs) were prepared by the solution polycondensation of N‐(4‐nitrophenyl)‐4′,4″‐bisformyl‐diphenylamine and aromatic diamine in N‐methyl‐2‐pyrrolidone (NMP) at room temperature under reduced pressure. All the PAMs are highly soluble in various organic solvents, such as N,N‐dimethylacetamide (DMAc), chloroform (CHCl₃), and tetrahydrofuran (THF). Differential scanning calorimetry (DSC) indicated that these PAMs had glass‐transition temperatures (T_gs) in the range of 170–230 °C, and a 10% weight‐loss temperatures in excess of 490 °C with char yield at 800 °C in nitrogen higher than 60%. These PAMs in NMP solution showed UV‐Vis charge‐transfer (CT) absorption at 405–421 nm and photoluminescence peaks around 462–466 nm with fluorescence quantum efficiency (Φ_F) 0.10–0.99%. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of these PAMs can be determined from cyclic voltammograms as 4.86–5.43 and 3.31–3.34 eV, respectively. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4921–4932, 2007     

Axisymmetric frictionless contact of functionally graded materials

The main interest of this study is a new method to solve the axisymmetric frictionless contact problem of functionally graded materials (FGMs). Based on the fact that an arbitrary curve can be approached by a series of continuous but piecewise linear curves, the FGM is divided into a series of sub-layers with shear modulus varying linearly in each sub-layer and continuous at the sub-interfaces. With this model, the axisymmetric frictionless contact problem of a functionally graded coated half-space is investigated. By using the transfer matrix method and Hankel integral transform technique, the problem is reduced to a Cauchy singular integral equation. The contact pressure, contact region and indentation are calculated for various indenters by solving the equations numerically. An erratum to this article can be found at     

Numerical method and models for anti-plane strain of a system with a thin elastic wedge

The paper presents a general method to find asymptotics for a (multi-)wedge system containing a thin wedge. It employs separation of the symmetric and anti-symmetric parts of the boundary displacements and tractions of the wedge. The method is applicable when the angle of the thin wedge turns to zero. A physical interpretation of the derived equations is obtained by using power expansions of non-polynomial functions, which appear after the Mellin transform. We establish that the first term in the expansion of the symmetric part corresponds to shear, while the first term of the anti-symmetric part describes deflection of the wedge axis. Numerical experiments, performed by using a code developed on the basis of the theory, show that using only the first terms of the expansions insignificantly influence accuracy: the approximate results coincide with the exact values of roots to the third significant digit even for the wedge angle of 30°.     

Modification of multiwalled carbon nanotubes by carboxy groups and determination of the degree of functionalization

Multiwalled carbon nanotubes were modified by carboxy groups. Four independent methods for the determination of the degree of functionalization of the surface were proposed: ¹³C NMR spectroscopy, thermogravimetry, titrimetry, and fluorimetry. The first two methods show the total content of carboxy groups in the sample, and the latter two methods give information about the content of the surface groups only. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 291–295, February, 2008.     

宁波城市设计的若干思考与建议

通过探讨城市设计概念的形成过程和历史积淀，阐明其在城市建设中的意义，并运用城市设计的理论与分析方法，针对目前宁波城市大规模的规划、设计、改造现象，提出若干思考与建议．     

Maximal σ‐polynomials of connected 3‐chromatic graphs

In the set of graphs of order n and chromatic number k the following partial order relation is defined. One says that a graph G is less than a graph H if c_i(G) ≤ c_i(H) holds for every i, k ≤ i ≤ n and at least one inequality is strict, where c_i(G) denotes the number of i‐color partitions of G. In this paper the first ? n/2 ? levels of the diagram of the partially ordered set of connected 3‐chromatic graphs of order n are described. © 2003 Wiley Periodicals, Inc. J Graph Theory 43: 210–222, 2003