Photochemical synthesis and crystal structure of a charge transfer salt [HMDH2][(H2PMoMo11O40)-Mo-v]center dot 2AA center dot 3H(2)O center dot DMF

The title supramolecular compound, [HMDH2][(H2PMoMo11O40)-Mo-V] . 2AA . 3H(2)O . DMF (HMD = hexamethylene diamine; AA=acetaldehyde; DMF=N,N-dimethyl formamide), has been photochemically synthesized by using elemental analysis, IR, solid diffusion reflectance, electronic spectra, ESR spectra and X-ray single-crystal analysis. The crystallographic data: triclinic, P (1) over bar, a=14.092(2), b=14.347(3), c=14.358(3)Angstrom, alpha = 75.10(3), beta = 80.70(3), gamma = 80.73(3)degrees, V = 2746.6(10)Angstrom (3), Z = 2, M-r = 2081.68, D-c=2.517g/cm(3), F(000) =1970, mu (MoK alpha) =2.766mm(-1). The structure has been refined to R =0.0832 and wR=0.2638, by full-matrix least-squares method. The title compound is composed of hexamethylene diamine, two acetaldehyde molecules, three water molecules, one N,N-dimethylformamide and [(H2PMoMo11O40)-Mo-V](2-) heteropoly anion.

Simultaneous spectrophotometric determination of zinc, cadmium and mercury with hybrid linear analysis

A new method for simultaneous spectrophotometric determination of Zn, Cd and Hg using 2-(5-Br-2-pyridylazo)-5-diethylaminophenol as the color developing reagent was proposed. The absorption spectra of these three complexes have similar features with severe overlap in visible spectral range. For resolving these spectra, hybrid linear analysis was used, and the pure spectrum of each component was obtained from the calibration mixtures by least squares method. The effects of reaction condition, selection of wavelengths, determination of pure spectrum and additivity of absorbances etc. on the determination were discussed. The proposed method offers the advantages of simple, rapid, and accuracy. It has been successfully applied to the simultaneous determination of Zn, Cd and Hg in synthetic sample. A comparison was also made with the partial least squares method.

Hydrothermal synthesis and crystal structure of sandwich-like heteropolymolybdophosphates

Sandwich-like heteropoly molybdochromophosphates of supermolecular compound [NH3(CH2)(6)NH3](2)H-3{Cr[Mo6O15(HPO4)(H2PO4)(3)](2)}. 4H(2)O has been hydrothermally synthesized and the single crystal structure has been determined by X-ray diffraction. The crystal data are has follows: triclinic, space group P (1) over bar a=12.156(2), b=12.809(3), c=13.530(3) Angstrom, alpha=102.46(3)degrees, beta=93.67(3)degrees, gamma=93.46(3)degrees, V=2046.9(7) Angstrom(3), Z=1, M-r=2768.69, D-c=2.246 g/cm(-3), F(000)=1337, mu=2.162 mm(-1). The structure has been refined to R=0.0666 and wR=0.1745 by full-matrix least-squares method. The title compound is composed of 1, 6-diaminohexane, water molecules, and {Cr[Mo6O15(HPO4)(H2PO4)(3)](2)}(7-) anion which consists of six oxygen atoms from two [Mo6P4] units with a sandwich-like transition metal atom Cr located at the center of symmetry.

Synthesis and crystal structure of aluminium complex with 3-hydroxyflavone

[Al(C15H9O3)(3)](2) . 2CHCl(3) . 8H(2)O was synthesized, and its crystal structure was determined. It belongs to trigonal system, R3, a=b=1. 655 8(3) nm, c=3. 646 5(20) nm, alpha = beta = 90 degrees, gamma = 120 degrees, V = 8. 656 08(0. 005 86) nm(3). D-c = 1.45 g/cm(3), mu(Mo K alpha) = 3. 20 cm(-1), F (000) = 3 924. The crystal structure was solved by Patterson and Fourier techniques, and refined by a block-diagonal least-squares method. A total of 3 737 independent intensity data were collected, of which 1 033 with I greater than or equal to 3 sigma(I-0) were observed, R = 0. 091 8, Rw=0. 091 8. Al3+ ion was 6-coordinated, bound to six oxygen atoms from three 3-hydroxyflavones to form a distortional coordination octahedron.

估计从UUV航行参数的混合坐标系下的EKF算法

在主从式UUV 协作系统中，由于定位和导航的需要，要求尽快估计出从UUV 的航行参数，但通常所用的递推最小二乘（RLS）算法，其初始方位测量对滤波结果影响大且存在收敛速度慢、计算精度低的缺点，难以满足应用需求，而推广卡尔曼滤波（EKF）算法能较好地克服上述问题。在直角坐标系下（CEKF），方位信息与距离信息相互耦合导致初始振荡剧烈，改为混合坐标系（MEKF）后问题得到了极大的改善。最后，通过仿真及现场试验验证了此改进方法的有效性。

共反射面元叠加

The seismic survey is the most effective prospecting geophysical method during exploration and development of oil/gas. The structure and the lithology of the geological body become increasingly complex now. So it must assure that the seismic section own upper resolution if we need accurately describe the targets. High signal/noise ratio is the precondition of high-resolution. As one important seismic data processing method, Stacking is an effective means to suppress the records noise. Broadening area of surface stacked is more important to enhance genuine reflection signals and suppressing unwanted energy in the form of coherent and random ambient noise. Common reflection surface stack is a macro-model independent seismic imaging method. Based on the similarity of CRP trace gathers in one coherent zone, CRS stack effectively improves S/N ratio by using more CMP trace gathers to stack. It is regarded as one important method of seismic data processing. Performing CRS stack depends on three attributes. However, the equation of CRS is invalid under condition of great offset. In this thesis, one method based on velocity model in depth domain is put forward. Ray tracing is used to determine the traveltime of CRP in one common reflection surface by the least squares method to regress the equation of CRS. Then we stack in the coherent seismic data set according to the traveltime, and get the zero offset section. In the end of flowchart of implementing CRS stack, one method using the dip angle to enhance the ratio of S/N is used. Application of the method on synthetic examples and field seismic records, the results of this method show an excellent performance of the algorithm both in accuracy and efficiency.

A new beam propagation method based on least-squares expansion approximating

A new finite difference wide-angle beam propagation method is developed by introducing the least-squares expansion approximant in the propagator expansion. In this new method it is not necessary to select the reference index point because of the whole region approaching the lease-square expansion. This method avoids the problems induced by error selection of the reference index in the old methods based on Taylor or Pade expansion. Several typical structures are simulated by the new method and the results prove the validity of it.

Upwind compact method and direct numerical-simulation of driven flow in a square cavity

A high-order accurate finite-difference scheme, the upwind compact method, is proposed. The 2-D unsteady incompressible Navier-Stokes equations are solved in primitive variables. The nonlinear convection terms in the governing equations are approximated by using upwind biased compact difference, and other spatial derivative terms are discretized by using the fourth-order compact difference. The upwind compact method is used to solve the driven flow in a square cavity. Solutions are obtained for Reynolds numbers as high as 10000. When Re less than or equal to 5000, the results agree well with those in literature. When Re = 7500 and Re = 10000, there is no convergence to a steady laminar solution, and the flow becomes unsteady and periodic.

Burst event detection in wall turbulence by WVITA method

Wavelet Variable Interval Time Average (WVITA) is introduced as a method incorporating burst event detection in wall turbulence. Wavelet transform is performed to unfold the longitudinal fluctuating velocity time series measured in the near wall region of a turbulent boundary layer using hot-film anemometer. This unfolding is both in time and in space simultaneously. The splitted kinetic of the longitudinal fluctuating velocity time series among different scales is obtained by integrating the square of wavelet coefficient modulus over temporal space. The time scale that related to burst events in wall turbulence passing through the fixed probe is ascertained by maximum criterion of the kinetic energy evolution across scales. Wavelet transformed localized variance of the fluctuating velocity time series at the maximum kinetic scale is put forward instead of localized short time average variance in Variable Interval Time Average (VITA) scheme. The burst event detection result shows that WVITA scheme can avoid erroneous judgement and solve the grouping problem more effectively which is caused by VITA scheme itself and can not be avoided by adjusting the threshold level or changing the short time average interval.

A rigorous analytical method for doubly periodic cylindrical inclusions under longitudinal shear and its application

An infinite elastic solid containing a doubly periodic parallelogrammic array of cylindrical inclusions under longitudinal shear is studied. A rigorous and effective analytical method for exact solution is developed by using Eshelby's equivalent inclusion concept integrated with the new results from the doubly quasi-periodic Riemann boundary value problems. Numerical results show the dependence of the stress concentrations in such heterogeneous materials on the periodic microstructure parameters. The overall longitudinal shear modulus of composites with periodic distributed fibers is also studied. Several problems of practical importance, such as those of doubly periodic holes or rigid inclusions, singly periodic inclusions and single inclusion, are solved or resolved as special cases. The present method can provide benchmark results for other numerical and approximate methods. (C) 2003 Elsevier Ltd. All rights reserved.

Three-dimensional crack problem analysis using boundary element method with finite-part integrals

A set of hypersingular integral equations of a three-dimensional finite elastic solid with an embedded planar crack subjected to arbitrary loads is derived. Then a new numerical method for these equations is proposed by using the boundary element method combined with the finite-part integral method. According to the analytical theory of the hypersingular integral equations of planar crack problems, the square root models of the displacement discontinuities in elements near the crack front are applied, and thus the stress intensity factors can be directly calculated from these. Finally, the stress intensity factor solutions to several typical planar crack problems in a finite body are evaluated.

Numerical-Value Perturbation Method with Application of Solving Convective-Diffusion Integral Equation

The convective--diffusion equation is of primary importance in such fields as fluid dynamics and heat transfer hi the numerical methods solving the convective-diffusion equation, the finite volume method can use conveniently diversified grids (structured and unstructured grids) and is suitable for very complex geometry The disadvantage of FV methods compared to the finite difference method is that FV-methods of order higher than second are more difficult to develop in three-dimensional cases. The second-order central scheme (2cs) offers a good compromise among accuracy, simplicity and efficiency, however, it will produce oscillatory solutions when the grid Reynolds numbers are large and then very fine grids are required to obtain accurate solution. The simplest first-order upwind (IUW) scheme satisfies the convective boundedness criteria, however. Its numerical diffusion is large. The power-law scheme, QMCK and second-order upwind (2UW) schemes are also often used in some commercial codes. Their numerical accurate are roughly consistent with that of ZCS. Therefore, it is meaningful to offer higher-accurate three point FV scheme. In this paper, the numerical-value perturbational method suggested by Zhi Gao is used to develop an upwind and mixed FV scheme using any higher-order interpolation and second-order integration approximations, which is called perturbational finite volume (PFV) scheme. The PFV scheme uses the least nodes similar to the standard three-point schemes, namely, the number of the nodes needed equals to unity plus the face-number of the control volume. For instanc6, in the two-dimensional (2-D) case, only four nodes for the triangle grids and five nodes for the Cartesian grids are utilized, respectively. The PFV scheme is applied on a number of 1-D problems, 2~Dand 3-D flow model equations. Comparing with other standard three-point schemes, The PFV scheme has much smaller numerical diffusion than the first-order upwind (IUW) scheme, its numerical accuracy are also higher than the second-order central scheme (2CS), the power-law scheme (PLS), the QUICK scheme and the second-order upwind(ZUW) scheme.

Scattering by two degenerate anisotropic modes in square-lattice dielectric photonic crystals

We systematically investigate the square-lattice dielectric photonic crystals that have been used to demonstrate flat slab imaging experimentally. A right-handed Bloch mode is found in the left-handed frequency region by using the plane wave expansion method to analyze the photonic band structure and equifrequency contours. Using the multiple scattering theory, numerical simulations demonstrate that the left-handed mode and the right-handed mode are excited simultaneously by a point source and result in two kinds of transmitted waves. Impacted by the evanescent waves, superposition of these transmitted waves brings on complicated near field distributions such as the so-called imaging and its disappearance.

Optical properties of a square-lattice photonic crystal within the partial bandgap

Optical properties of a two-dimensional square-lattice photonic crystal are systematically investigated within the partial bandgap through anisotropic characteristics analysis and numerical simulation of field pattern. Using the plane-wave expansion method and Hellmann-Feynman theorem, the relationships between the incident and refracted angles for both phase and group velocities are calculated to analyze light propagation from air to photonic crystals. Three kinds of flat slab focusing are summarized and demonstrated by numerical simulations using the multiple scattering method. (c) 2007 Optical Society of America

Multimode resonances in metallically confined square-resonator microlasers

Directional emission InP/AlGaInAs square-resonator microlasers with a side length of 20 mu m are fabricated by standard photolithography and inductively coupled-plasma etching technique. Multimode resonances with about seven distinct mode peaks in a free-spectral range are observed from 1460 to 1560 nm with the free-spectral range of 12.1 nm near the wavelength of 1510 nm, and the mode refractive index versus the photon energy E (eV) as 3.07152+0.18304E are obtained by fitting the laser spectra with an analytical mode wavelength formula derived by light ray method. In addition, mode field pattern is simulated for cold cavity by two dimensional finite-difference time-domain technique.