A well‐balanced upstream flux‐splitting finite‐volume scheme for shallow‐water flow simulations with irregular bed topography

This study extends the upstream flux‐splitting finite‐volume (UFF) scheme to shallow water equations with source terms. Coupling the hydrostatic reconstruction method (HRM) with the UFF scheme achieves a resultant numerical scheme that adequately balances flux gradients and source terms. The proposed scheme is validated in three benchmark problems and applied to flood flows in the natural/irregular river with bridge pier obstructions. The results of the simulations are in satisfactory agreement with the available analytical solutions, experimental data and field measurements. Comparisons of the present results with those obtained by the surface gradient method (SGM) demonstrate the superior stability and higher accuracy of the HRM. The stability test results also show that the HRM requires less CPU time (up to 60%) than the SGM. The proposed well‐balanced UFF scheme is accurate, stable and efficient to solve flow problems involving irregular bed topography. Copyright © 2009 John Wiley & Sons, Ltd.     

On the development of a triple‐preserving Maxwell's equations solver in non‐staggered grids

We present in this paper a finite difference solver for Maxwell's equations in non‐staggered grids. The scheme formulated in time domain theoretically preserves the properties of zero‐divergence, symplecticity, and dispersion relation. The mathematically inherent Hamiltonian can be also retained all the time. Moreover, both spatial and temporal terms are approximated to yield the equal fourth‐order spatial and temporal accuracies. Through the computational exercises, modified equation analysis and Fourier analysis, it can be clearly demonstrated that the proposed triple‐preserving solver is computationally accurate and efficient for use to predict the Maxwell's solutions. Copyright © 2009 John Wiley & Sons, Ltd.     

Structural properties and electrical characteristics of high-k Dy2O3 gate dielectrics

This paper describes the structural properties and electrical characteristics of thin Dy₂O₃ dielectrics deposited on silicon substrates by means of reactive sputtering. The structural and morphological features of these films after postdeposition annealing were studied by X-ray diffraction and X-ray photoelectron spectroscopy. It is found that Dy₂O₃ dielectrics annealed at 700 °C exhibit a thinner capacitance equivalent thickness and better electrical properties, including the interface trap density and the hysteresis in the capacitance-voltage curves. Under constant current stress, the Weibull slope of the charge-to-breakdown of the 700 °C-annealed films is about 1.6. These results are attributed to the formation of well-crystallized Dy₂O₃ structure and the reduction of the interfacial SiO₂ layer.     

Novel titration method for surface-functionalised silica

This paper describes three inexpensive and fast analytical methods to characterise grafted particle surfaces. The reaction of silica with (3-aminopropyl)triethoxysilane, (3-mercaptopropyl)trimethoxysilane and N-(phosphonomethyl)iminodiacetic acid hydrate, respectively, leads to NH₂-, SO₃H- or COOH-functionalised silica, which were characterised by X-ray photoelectron spectrometry and titration in nonaqueous media as well as with two titration methods in a water-based environment. In the work presented, factors influencing the titrations are pointed out and solutions are presented to overcome these limiting factors are shown.     

Dendrimer with rotaxane-like mechanical branching

[reaction: see text] A dendrimer wherein the branching points are mechanical in nature has been synthesized. It contains two identical covalently linked bis-dendrons and a core unit fused to two rings that encircle the two bis-dendrons. A "threading-followed-by-stoppering" approach is used in the template-directed synthesis of a precursor bis[2]rotaxane, which undergoes stopper exchange four times to yield the dendrimer in which the two bis-dendrons act as stoppers within the two [2]rotaxane subunits.     

Trimethylphosphine complexes of tungsten(O) and (IV). X-ray crystal structures of trimethylphosphine tris (phenylacetylene) tungsten(O); bis(trimethylphosphine) tetrakis (methylisocyanide) tungsten(O), and oxodichlorotris (trimethylphosphine) tungsten (IV)

The reduction of WCl₄(PMe₃)₃ by sodium amalgam in presence of phenylacetylene gives W(PMe₃)(PhCCH)₃ (A). Reduction in presence of methylisocyanide gives W(PMe₃)₂(MeNC)₄ (B), while in presence of excess PMe₃ in tetrahydrofuran under hydrogen, WH₂Cl₂(PMe₃)₄ (C) is formed. The reaction of WCl₂(PMe₃)₄ with methanol in tetrahydrofuran gives mixtures of WH₂Cl₂(PMe₃)₄ and WOC1₂(PMe₃)₃ (D).The structures of A, B, and D have been determined by X-ray diffraction.     

Molecular symmetry and exciton interaction in photosynthetic primary events

In this paper, the molecular details of the recently proposed energy upconversion theory of photosynthesis are reviewed. The primary light reactions are explained in terms of aC ₂ symmetrical structure of the reaction center involving a (Chl?H₂O)₂ adduct. It is shown that exciton interaction within the (Chl?H₂O)₂ complex leads to an antisymmetric triplet state which may act as an energy trap. The presence of the energy trap in the reaction center suggests that the trigger step for the photoionization of active chlorophylls may involve the summation of two red excitation photons. Under normal conditions, the steadystate one-photon-per-electron quantum requirement is obtained. The functional properties of the various molecular constituents of the Chl-a molecule, such as the Ring V β-ketoester group, the phytyl tail, the central Mg atom, and the π-system of the macrocycle are explained within the present theoretical framework. A detailed analysis is given of the postulates and the consequences of the proposed model. The ramifications of the theory are probed, and their biological consequences are suggested for future study.     

Electronic and optical properties of SbSBr,SbSI and SbSeI

Band structures of SbSBr and SbSeI have been obtained by using the empirical pseudopotential method (EPM) to fit our measured optical reflectivity data and earlier gap measurements. An SbSI band structure has been determined by fitting to earlier reflectivity and Raman spectroscopic data, and the results agree better with the data than do the results of an earlier preliminary EPM calculation. Secondary conduction band minima may in part be responsible for the observed microwave oscillation (Gunn effect) in SbSI. Similar minima in SbSBr and SbSeI are reported, suggesting these crystals might also show microwave properties. The total densities of states are presented.     

Renormalization prescription dependence of the relationship between renormalization constants

I derive the correct relationship between the renormalization constants ($\text{Z}{}_1\text{,}\text{Z}\text{?}{}_1\text{, Z}{}_3\text{and}\text{Z}\text{?}{}_3$) defined by momentum subtraction. The implications of this relationship are discussed.