Interpretation of fringes produced by time average reflection moiré on a circular disk

Inverse problem of reconstruction of dynamic displacements from the fringe pattern generated by time average reflection moiré is investigated in this paper. A technique for numerical simulation of time average smoothed reflection moiré fringes is proposed. The smoothing procedure is incorporated into the finite element formulation of the problem. Reconstruction of the field of deflections is illustrated for a centrally clamped disk. Such techniques can be effectively exploited in hybrid numerical–experimental procedures for different objects and grating geometries.     

基于静动态重构的高阶DG/FV混合格式在二维非结构网格中的推广

通过比较间断Galerkin有限元方法(DGM)和有限体积方法(FVM),提出"静态重构"和"动态重构"的概念,进一步建立基于静动态"混合重构"算法的三阶DG/FV混合格式.在DG/FV混合格式中,单元平均值和一阶导数由DGM方法"动态重构",二阶导数利用FVM方法"静态重构";在此基础上,构造高阶多项式插值函数,得到...     

时域混合算法在一维海面与舰船目标复合电磁散射中的应用

采用时域积分方程(TDIE)与时域基尔霍夫近似(TDKA)的混合算法研究粗糙海面与舰船目标的复合瞬态电磁散射.该方法将舰船目标及其近邻海面划分为TDIE区域,用TDIE方法精确求解;将剩余电大尺寸的粗糙海面划分为TDKA区域,采用高效的TDKA电流近似求解.通过混合算法和传统TDIE算法结果的对比,表明TDIE-TDKA混合算法能保证计算的精度,同时具有较高的计算效率.最后,讨论了海面上方有无目标、海面上方风速、电磁脉冲入射角、舰船目标尺寸、吃水深度对后向散射磁场的影响.     

A high-order accurate hybrid scheme using a central flux scheme and a WENO scheme for compressible flowfield analysis

A high-order accurate hybrid central-WENO scheme is proposed. The fifth order WENO scheme [G.S. Jiang, C.W. Shu, Efficient implementation of weighted ENO schemes, J. Comput. Phys. 126 (1996) 202–228] is divided into two parts, a central flux part and a numerical dissipation part, and is coupled with a central flux scheme. Two sub-schemes, the WENO scheme and the central flux scheme, are hybridized by means of a weighting function that indicates the local smoothness of the flowfields. The derived hybrid central-WENO scheme is written as a combination of the central flux scheme and the numerical dissipation of the fifth order WENO scheme, which is controlled adaptively by a weighting function. The structure of the proposed hybrid central-WENO scheme is similar to that of the YSD-type filter scheme [H.C. Yee, N.D. Sandham, M.J. Djomehri, Low-dissipative high-order shock-capturing methods using characteristic-based filters, J. Comput. Phys. 150 (1999) 199–238]. Therefore, the proposed hybrid scheme has also certain merits that the YSD-type filter scheme has. The accuracy and efficiency of the developed hybrid central-WENO scheme are investigated through numerical experiments on inviscid and viscous problems. Numerical results show that the proposed hybrid central-WENO scheme can resolve flow features extremely well.     

Identification of the dynamic properties of joints using frequency–response functions

The dynamic properties of joints are extremely difficult to model accurately using a purely analytical approach. However, these properties can be extracted from experimental data. In this paper we present a method for establishing a theoretical model of a joint from the substructures and assembly frequency–response function (FRF) data. The identification process considers not only translational, but also rotational degrees of freedom (RDOFs). The validity of the proposed method is demonstrated numerically and experimentally. A combined numerical–experimental approach was used to identify the mass, stiffness and damping effects of a real bolted joint. Using the least-squares method, data from the wide frequency range were used. A substructure synthesis method with the joint effects included was used to check the extracted values.     

A class of hybrid DG/FV methods for conservation laws II: Two-dimensional cases

By comparing the discontinuous Galerkin (DG) methods, the k-exact finite volume (FV) methods and the lift collocation penalty (LCP) methods, a concept of ‘static reconstruction’ and ‘dynamic reconstruction’ was introduced for higher-order numerical methods in our previous work. Based on this concept, a class of hybrid DG/FV methods was presented for one-dimensional conservation law using a ‘hybrid reconstruction’ approach. In the hybrid DG/FV schemes, the lower-order derivatives of the piecewise polynomial are computed locally in a cell by the traditional DG method (called as ‘dynamic reconstruction’), while the higher-order derivatives are re-constructed by the ‘static reconstruction’ of the FV method, using the known lower-order derivatives in the cell itself and in its adjacent face neighboring cells. In this follow-up paper, the hybrid DG/FV schemes are extended onto two-dimensional unstructured and hybrid grids. The two-dimensional linear and non-linear scalar conservation law and Euler equations are considered. Some typical cases are tested to demonstrate the performance of the hybrid DG/FV method, and the numerical results show that they can reduce the CPU time and memory requirement greatly than the traditional DG method with the same order of accuracy in the same mesh.     

Transient radiation and conduction heat transfer inside a plane-parallel participating gray medium with boundaries having different reflecting characteristics

A hybrid ray-tracing method is developed for the solution to the radiative transfer in a plane-parallel participating medium having one specular surface and another diffuse surface. By this method, radiative transfer coefficients (RTCs) for specular–diffuse (S–D) surfaces are deduced. The medium surfaces are considered to be semitransparent. The effects of convection–radiation parameter, conduction–radiation parameter and refractive index on transient coupled heat transfer are investigated. Results show that the temperature curves of the medium having S–D surfaces is higher than those of the medium having S–S surfaces (two specular surfaces); the total heat flux at steady state for the S–D surfaces is lower than that for the S–S surfaces.     

New developments of polysaccharide synthesis via enzymatic polymerization

This review focuses on the in vitro synthesis of polysaccharides, the method of which is “enzymatic polymerization” mainly developed by our group. Polysaccharides are formed by repeated glycosylation reactions between a glycosyl donor and a glycosyl acceptor. A hydrolysis enzyme was found very efficient as catalyst, where the monomer is designed based on the new concept of a “transition-state analogue substrate” (TSAS); sugar fluoride monomers for polycondensation and sugar oxazoline monomers for ring-opening polyaddition. Enzymatic polymerization enabled the first in vitro synthesis of natural polysaccharides such as cellulose, xylan, chitin, hyaluronan and chondroitin, and also of unnatural polysaccharides such as a cellulose–chitin hybrid, a hyaluronan–chondroitin hybrid, and others. Supercatalysis of hyaluronidase was disclosed as unusual enzymatic multi-catalyst functions. Mutant enzymes were very useful for synthetic and mechanistic studies. In situ observations of enzymatic polymerization by SEM, TEM, and combined SAS methods revealed mechanisms of the polymerization and of the self-assembling of high-order molecular structure formed by elongating polysaccharide molecules.     

A new method for deriving analytical solutions of partial differential equations — Algebraically explicit analytical solutions of two-buoyancy natural convection in porous media

Analytical solutions of governing equations of various phenomena have their irreplaceable theoretical meanings. In addition, they can also be the benchmark solutions to verify the outcomes and codes of numerical solutions, and even to develop various numerical methods such as their differencing schemes and grid generation skills as well. A hybrid method of separating variables for simultaneous partial differential equation sets is presented. It is proposed that different methods of separating variables for different independent variables in the simultaneous equation set may be used to improve the solution derivation procedure, for example, using the ordinary separating method for some variables and using extraordinary methods of separating variables, such as the separating variables with addition promoted by the first author, for some other variables. In order to prove the ability of the above-mentioned hybrid method, a lot of analytical exact solutions of two-buoyancy convection in porous media are successfully derived with such a method. The physical features of these solutions are given. Supported by the National Natural Science Foundation of China (Grant No. 50576097) and the National Basic Research Development Program of China (Grant No. 2007CB206902)     

The numerical prediction of planar viscoelastic contraction flows using the pom–pom model and higher-order finite volume schemes

This study investigates the numerical solution of viscoelastic flows using two contrasting high-order finite volume schemes. We extend our earlier work for Poiseuille flow in a planar channel and the single equation form of the extended pom–pom (SXPP) model [M. Aboubacar, J.P. Aguayo, P.M. Phillips, T.N. Phillips, H.R. Tamaddon-Jahromi, B.A. Snigerev, M.F. Webster, Modelling pom–pom type models with high-order finite volume schemes, J. Non-Newtonian Fluid Mech. 126 (2005) 207–220], to determine steady-state solutions for planar 4:1 sharp contraction flows. The numerical techniques employed are time-stepping algorithms: one of hybrid finite element/volume type, the other of pure finite volume form. The pure finite volume scheme is a staggered-grid cell-centred scheme based on area-weighting and a semi-Lagrangian formulation. This may be implemented on structured or unstructured rectangular grids, utilising backtracking along the solution characteristics in time. For the hybrid scheme, we solve the momentum-continuity equations by a fractional-staged Taylor–Galerkin pressure-correction procedure and invoke a cell-vertex finite volume scheme for the constitutive law. A comparison of the two finite volume approaches is presented, concentrating upon the new features posed by the pom–pom class of models in this context of non-smooth flows. Here, the dominant feature of larger shear and extension in the entry zone influences both stress and stretch, so that larger stretch develops around the re-entrant corner zone as Weissenberg number increases, whilst correspondingly stress levels decline.     

耦合高压斯特林制冷效应的复合磁制冷循环的数值模拟

本文借助计算流体力学软件, 对复合磁制冷机进行整机数值模拟分析. 以复合磁制冷机为建模原形, 分别计算了主动式磁制冷循环以及复合磁制冷循环. 利用模型计算分析了利用系数, 工作频率对主动式磁制冷的制冷效果影响, 同时模拟计算了不同相位角、不同频率下的复合磁制冷机的制冷效果, 计算得到适合复合磁制冷循环的最佳匹配相位角. 模拟计算结果对后续实验台的设计搭建有很好的指导作用.     

Photocurrent response in a double barrier structure with quantum dots–quantum well inserted in central well

We report the photocurrent response in a double barrier structure with quantum dots–quantum well inserted in central well. When this quantum dots–quantum well hybrid heterostructure is biased beyond +1 or −1 V, the photocurrent response manifests itself as a step-like enhancement, increasing linearly with the light intensity. Most probably, at proper bias condition, the pulling down of the X minimum of GaAs at the outgoing interface of the emitter barrier by the photovoltaic effect in GaAs QW will initiate the Γ–X–X tunneling at much lower bias as compared with that in the dark. That gives rise to the observed photocurrent response.     

Accurate, high-order representation of complex three-dimensional surfaces via Fourier continuation analysis

We present a new method for construction of high-order parametrizations of surfaces: starting from point clouds, the method we propose can be used to produce full surface parametrizations (by sets of local charts, each one representing a large surface patch – which, typically, contains thousands of the points in the original point-cloud) for complex surfaces of scientific and engineering relevance. The proposed approach accurately renders both smooth and non-smooth portions of a surface: it yields super-algebraically convergent Fourier series approximations to a given surface up to and including all points of geometric singularity, such as corners, edges, conical points, etc. In view of their C^∞ smoothness (except at true geometric singularities) and their properties of high-order approximation, the surfaces produced by this method are suitable for use in conjunction with high-order numerical methods for boundary value problems in domains with complex boundaries, including PDE solvers, integral equation solvers, etc. Our approach is based on a very simple concept: use of Fourier analysis to continue smooth portions of a piecewise smooth function into new functions which, defined on larger domains, are both smooth and periodic. The “continuation functions” arising from a function f converge super-algebraically to f in its domain of definition as discretizations are refined. We demonstrate the capabilities of the proposed approach for a number of surfaces of engineering relevance.     

A Multigrid-Solver for the Discrete Boltzmann Equation

This paper introduces a nonlinear multigrid solution approach for the discrete Boltzmann equation discretized by an implicit second-order Finite Difference scheme. For simplicity we restrict the discussion to the stationary case. A numerical example shows the drastically improved efficiency in comparison to the widely used Lattice–Bathnagar–Gross–Krook (LBGK) approach.     

Anharmonic resonances in the vibrational spectra of pyrazine

The quartic force field of pyrazine has been calculated in the B3LYP/6-31G(d) hybrid density-functional approximation. Based on the results of this calculation, the total IR (250–3800 cm^–1) and Raman (400–3200 cm^–1) spectra of pyrazine have been interpreted with consideration for the Fermi and Darling-Dennison resonances and their spectral manifestations. A precision method is proposed for anharmonic analysis of the vibrational states of polyatomic molecules on the basis of consideration of their theoretical anharmonicity constants in combination with the corresponding experimental frequencies. The method of linear scaling of frequencies has been theoretically substantiated.__________Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 1, pp. 13–22, January–February, 2005.     

Analysis of Excitations for a Groove Guide Resonator at 10 GHz by means of the FDTD Method

Various excitations of a new groove guide resonator working in the X-band (8 GHz – 12 GHz) are investigated by means of numerical simulations. For the numerical simulations the Finite-Difference Time-Domain method is used. The groove guide resonator, modelled both with and without excitation structures, is discretised in space. The results in the time domain are then transformed into the frequency domain in order to obtain the resonance frequency spectrum. Comparison between simulations with and without excitations shows the effect of the excitations on the resonance frequency spectrum. The results are compared with those of previous analytical methods.     

二维浅水波方程的数值激波不稳定性

研究二维浅水波方程的数值激波不稳定性问题.线性稳定性分析和数值实验表明,格式的临界稳定性与数值激波的不稳定现象有重要的联系.基于扰动量的增长矩阵分析,本文将高分辨率的数值格式和HLL格式进行特定的加权,设计一类新的混合型数值格式.其中可以调节非线性波速的HLLC与HLL的混合格式,数值试验展示了消除浅水波方程激波不稳定现象的有效性和鲁棒性.     

Synthesis, Characterization, and Luminescence Spectroscopic Accessibility Studies of tris(2,2′-Bipyridine)Ruthenium(II)-Labeled Inorganic-Organic Hybrid Polymers

The modified tris(2,2-bipyridine)ruthenium(II) complex 2 was anchored via a sol-gel process to different polysiloxane matrices to give a series of novel inorganic–organic hybrid polymers. One of the bipyridine ligands of 2 was provided with a long-chain spacer carrying a triethoxysilyl function (T group) at the end, which enables almost free mobility of the transition metal center. The polymers were swollen in several organic solvents of different polarity to investigate the luminescence behavior in the presence of quencher molecules. The luminescence of 2 was quenched using anthracene and atmospheric oxygen in appropriate concentrations of 5 · 10^–4 to 5 · 10^–3 and 3 · 10^–3 M, respectively. The luminescence behavior of 2 was determined by steady-state and time-resolved luminescence experiments. Translational mobilities of molecular species dissolved in the liquid phase were investigated by the kinetics of luminescence quenching after laser excitation. Both the translational mobility of anthracene and atmospheric oxygen, specified with the rate constant k₂ and the percentage of accessible luminescent centers were determined. Translational mobilities and the accessibility for anthracene and atmospheric oxygen in hybrid materials are significantly higher than in conventional Q type polysiloxanes.     

A class of hybrid DG/FV methods for conservation laws I: Basic formulation and one-dimensional systems

By comparing the discontinuous Galerkin (DG) and the finite volume (FV) methods, a concept of ‘static reconstruction’ and ‘dynamic reconstruction’ is introduced for high-order numerical methods. Based on the new concept, a class of hybrid DG/FV schemes is presented for one-dimensional conservation law using a ‘hybrid reconstruction’ approach. In the hybrid DG/FV schemes, the lower-order derivatives of a piecewise polynomial solution are computed locally in a cell by the DG method based on Taylor basis functions (called as ‘dynamic reconstruction’), while the higher-order derivatives are re-constructed by the ‘static reconstruction’ of the FV method, using the known lower-order derivatives in the cell itself and its adjacent neighboring cells. The hybrid DG/FV methods can greatly reduce CPU time and memory required by the traditional DG methods with the same order of accuracy on the same mesh, and they can be extended directly to unstructured and hybrid grids in two and three dimensions similar to the DG and/or FV methods. The hybrid DG/FV methods are applied to one-dimensional conservation law, including linear and non-linear scalar equation and Euler equations. In order to capture the strong shock waves without spurious oscillations, a simple shock detection approach is developed to mark ‘trouble cells’, and a moment limiter is adopted for higher-order schemes. The numerical results demonstrate the accuracy, and the super-convergence property is shown for the third-order hybrid DG/FV schemes. In addition, by analyzing the eigenvalues of the semi-discretized system in one dimension, we discuss the spectral properties of the hybrid DG/FV schemes to explain the super-convergence phenomenon.     

Synthesis and Properties of Layered Organic–inorganic Hybrid Material: Zn-Al Layered Double Hydroxide–dioctyl Sulfosuccinate Nanocomposite

A layered organic–inorganic hybrid nanocomposite was prepared by using a surfactant, dioctyl sulphosuccinate (DSS) as a guest in Zn-Al layered double hydroxide (LDH) inorganic host by a self-assembly technique. The Zn-Al ratio of the mother liquor was kept constant at 4 at the beginning of the synthesis. Powder X-ray diffractogram shows that the basal spacing of the Zn-Al LDH with sulphate as the intergallery anion (ZASUL) expanded from 11.0 to 26.3Å to accommodate the DSS surfactant anion for the formation of the Zn-Al LDH–DSS layered organic–inorganic hybrid nanocomposite (ZADON). It was also found that the BET surface area reduced by about 90%, from 22.5 to 2.2m²/g, for ZASUL and ZADON, respectively if 0.1M DSS was used for the synthesis of the latter.