Synthesis and structure of a novel open-framework zincophosphate with intersecting three-dimensional helical channels

A new open-framework zincophosphate, Zn-0.5(H2PO4).0.5H(2)O (denoted as FJ-13), possessing intersecting three-dimensional helical channels, has been synthesized under solvothermal conditions.

Preparation, structure, and properties of three-dimensional ordered alpha-Fe2O3 nanoparticulate film

alpha-Fe2O3 nanoparticulate films could be formed on the surface of alpha-Fe2O3 hydrosol after aging of the hydrosol or by compressing of the nanoparticles on the sol surface, in. which a three-dimensional ordered structure was constructed by the Langmuir-Blodgett; technique and colloid chemical methods. The structure of the LB film was characterized by AFM, TEM, XPS, and UV-vis spectra and small-angle X-ray diffraction. Gas-sensing measurement shows that the LB film has good sensitivity to alcohols at room temperature,

Studies on three-dimensional quantitative structure-activity relationships between the structures of N-nitroso compounds and their carcinogenic activities

Comparative molecular fiels analysis (CoMFA) has been applied to the studies of the correlation of the N-nitroso compounds and their carcinogenic activities, The comparison of CoMFA results with different lattice spacing and different atom probes was investigated, CoMFA resulted in a quantitative description of the major steric and electrostatic field effects and gave significant new insights to factors governing potency.

Seasonal and interannual variability of primary and export production in the South China Sea: a three-dimensional physical-biogeochemical model study

To investigate the seasonal and interannual variations in biological productivity in the South China Sea (SCS), a Pacific basin-wide physical - biogeochemical model has been developed and used to estimate the biological productivity and export flux in the SCS. The Pacific circulation model, based on the Regional Ocean Model Systems (ROMS), is forced with daily air-sea fluxes derived from the NCEP (National Centers for Environmental Prediction) reanalysis between 1990 and 2004. The biogeochemical processes are simulated with a carbon, Si(OH)(4), and nitrogen ecosystem (CoSiNE) model consisting of silicate, nitrate, ammonium, two phytoplankton groups (small phytoplankton and large phytoplankton), two zooplankton grazers (small micrograzers and large mesozooplankton), and two detritus pools. The ROMS-CoSiNE model favourably reproduces many of the observed features, such as ChI a, nutrients, and primary production (PP) in the SCS. The modelled depth-integrated PP over the euphotic zone (0-125 m) varies seasonally, with the highest value of 386 mg C m (-2) d (-1) during winter and the lowest value of 156 mg C m (-2) d (-1) during early summer. The annual mean value is 196 mg C m (-2) d (-1). The model-integrated annual mean new production (uptake of nitrate), in carbon units, is 64.4 mg C m (-2) d (-1) which yields an f-ratio of 0.33 for the entire SCS. The modelled export ratio (e-ratio: the ratio of export to PP) is 0.24 for the basin-wide SCS. The year-to-year variation of biological productivity in the SCS is weaker than the seasonal variation. The large phytoplankton group tends to dominate over the smaller phytoplankton group, and likely plays an important role in determining the interannual variability of primary and new production.

Studies on two coordination polymers [M(mu(4)-pz25dc)](n) (M = Cd or Zn, pz25dc=pyrazine-2,5-dicarboxylato) with three-dimensional pillared-layer three-nodal framework: Synthesis, structural characterization, strong optical non-linearities and optical limiting properties

Two isomorphous new candidates [M(mu(4)-pz25dc)](n) (M = Cd, 1; Zn, 2; pz25dc = pyrazine-2,5-dicarboxylato)for nonlinear optical (NLO) materials have been synthesized hydrothermally and characterized crystallographically as pillared-layer three-nodal frameworks with one four-connected metal nodes and two crystallographically different four-connected ligand nodes. Their optical non-linearities are measured by the Z-Scan technique with an 8 ns pulsed laser at 532 nm. These two coordination polymers both exhibit strong NLO absorptive abilities [alpha(2) = (63 +/- 6) x 10 (12) mW (1) 1, ( 46 +/- 6) x 10 (11) mW (1) 2] and effective self-focusing performance [n(2) = (67 +/- 5) x 10 (18) 1, (13 +/- 3) x 10 (18) m(2) W (1) 2] in 1.02 x 10 (4) 1 and 1.05 x 10 (4) mol dm (3) 2 DMF solution separately. The values of the limiting threshold are also measured from the optical limiting experimental data. The heavy atom effect plays important role in the enhancement of optical non-linearities and optical limiting properties. (C) 2009 Elsevier B. V. All rights reserved.

Generation of large-scale vortex dislocations in a three-dimensional wake-type flow

Numerical study of three-dimensional evolution of wake-type flow and vortex dislocations is performed by using a compact finite diffenence-Fourier spectral method to solve 3-D incompressible Navier-Stokes equations. A local spanwise nonuniformity in momentum defect is imposed on the incoming wake-type flow. The present numerical results have shown that the flow instability leads to three-dimensional vortex streets, whose frequency, phase as well as the strength vary with the span caused by the local nonuniformity. The vortex dislocations are generated in the nonuniform region and the large-scale chain-like vortex linkage structures in the dislocations are shown. The generation and the characteristics of the vortex dislocations are described in detail.

Three-Dimensional Propagation of the Transmitted Shock Wave in a Square Cross-Sectional Chamber

An investigation into the three-dimensional propagation of the transmitted shock wave in a square cross-section chamber was described in this paper, and the work was carried out numerically by solving the Euler equations with a dispersion-controlled scheme. Computational images were constructed from the density distribution of the transmitted shock wave discharging from the open end of the square shock tube and compared directly with holographic interferograms available for CFD validation. Two cases of the transmitted shock wave propagating at different Mach numbers in the same geometry were simulated. A special shock reflection system near the corner of the square cross-section chamber was observed, consisting of four shock waves: the transmitted shock wave, two reflection shock waves and a Mach stem. A contact surface may appear in the four-shock system when the transmitted shock wave becomes stronger. Both the secondary shock wave and the primary vortex loop are three-dimensional in the present case due to the non-uniform flow expansion behind the transmitted shock.

Evolution of three-dimensional coherent structures in compressible axisymmetric jet

A high order difference scheme is used to simulate the spatially developing compressible axisymmetric jet. The results show that the Kelvin-Helmholtz instability appears first when the jet loses its stability, and then with development of jet the increase in nonlinear effects leads to the secondary instability and the formation of the streamwise vortices. The evolution of the three-dimensional coherent structure is presented. The computed results verify that in axisymmetric jet the secondary instability and formation of the streamwise vortices are the important physical mechanism of enhancing the flow mixing and transition occurring.

Three-dimensional instability of an oscillating viscous flow past a circular cylinder

A systematically numerical study of the sinusoidally oscillating viscous flow around a circular cylinder was performed to investigate vortical instability by solving the three-dimensional incompressible Navier-Stokes equations. The transition from two- to three-dimensional flow structures along the axial direction due to the vortical instability appears, and the three-dimensional structures lie alternatively on the two sides of the cylinder. Numerical study has been taken for the Keulegan-Carpenter( KC) numbers from 1 to 3.2 and frequency parameters from 100 to 600. The force behaviors are also studied by solving the Morison equation. Calculated results agree well with experimental data and theoretical prediction.

Interactions of Penny-Shaped Cracks in Three-Dimensional Solids

The interaction of arbitrarily distributed penny-shaped cracks in three-dimensional solids is analyzed in this paper. Using oblate spheroidal coordinates and displacement functions, an analytic method is developed in which the opening and the sliding displacements on each crack surface are taken as the basic unknown functions. The basic unknown functions can be expanded in series of Legendre polynomials with unknown coefficients. Based on superposition technique, a set of governing equations for the unknown coefficients are formulated from the traction free conditions on each crack surface. The boundary collocation procedure and the average method for crack-surface tractions are used for solving the governing equations. The solution can be obtained for quite closely located cracks. Numerical examples are given for several crack problems. By comparing the present results with other existing results, one can conclude that the present method provides a direct and efficient approach to deal with three-dimensional solids containing multiple cracks.

Pressure Controlled Self-Assembly of High Quality Three-Dimensional Colloidal Photonic Crystals

A concise pressure controlled isothermal heating vertical deposition (PCIHVD) method is developed, which provides an optimal growing condition with better stability and reproducibility for fabricating photonic crystals (PCs) without the limitation of colloidal sphere materials and sizes. High quality PCs are fabricated with PCIHVD from polystyrene spheres with diameters ranging from 200 nm to 1 mu m. The deep photonic band gap and steep photonic band edge of the samples are most favorable for realizing ultrafast optical devices, photonic chips, and communications. This method makes a meaningful advance in the quality and diversity of PCs and greatly promotes their wide applications.

Embedded cell model of three-dimensional two-phase composites

An embedded cell model is presented to obtain the effective elastic moduli and the elastic-plastic stress-strain relations of three-dimensional two-phase particulate composites. Each cell consists of an ellipsoidal inclusion surrounded by a finite ellipsoidal matrix that embedded in an infinite matrix. When both matrix and particle are elastic, the effective elastic moduli are derived which is an exact analytic formula without any simplified approximation that can be expressed in an explicit form. Further, the elastic-plastic stress-strain relations are obtained for spherical cells and oblate spheroid cells, in which the matrix is elastic and the particle is elastic-plastic. In addition, the macroscopic elastic-plastic constitutive relation of particle reinforced composites (PRC) is investigated by a systematic approach [1] in which the matrix is elastic-plastic and the particle is elastic.

Flows with Inertia in a Three-Dimensional Random Fiber Network

A fiber web is modeled as a three-dimensional random cylindrical fiber network. Nonlinear behavior of fluid flowing through the fiber network is numerically simulated by using the lattice Boltzmann (LB) method. A nonlinear relationship between the friction factor and the modified Reynolds number is clearly observed and analyzed by using the Fochheimer equation, which includes the quadratic term of velocity. We obtain a transition from linear to nonlinear region when the Reynolds numbers are sufficiently high, reflecting the inertial effect of the flows. The simulated permeability of such fiber network has relatively good agreement with the experimental results and finite element simulations.