Two‐dimensional modeling for stability analysis of two‐phase stratified flow

The effect of wavelength and relative velocity on the disturbed interface of two‐phase stratified regime is modeled and discussed. To analyze the stability, a small perturbation is imposed on the interface. Growth or decline of the disturbed wave, relative velocity, and surface tension with respect to time will be discussed numerically. Newly developed scheme applied to a two‐dimensional flow field and the governing Navier–Stokes equations in laminar regime are solved. Finite volume method together with non‐staggered curvilinear grid is a very effective approach to capture interface shape with time. Because of the interface shape, for any time advancement, a new grid is performed separately on each stratified field, liquid, and gas regime. The results are compared with the analytical characteristics method and one‐dimensional modeling. This comparison shows that solving the momentum equation including viscosity term leads to physically more realistic results. In addition, the newly developed method is capable of predicting two‐phase stratified flow behavior more precisely than one‐dimensional modeling. It was perceived that the surface tension has an inevitable role in dissipation of interface instability and convergence of the two‐phase flow model. Copyright © 2009 John Wiley & Sons, Ltd.     

The independence of initial vectors in the subdivision schemes

Starting with an initial vector λ = (λ(κ))κ∈z ∈ ep(Z), the subdivision scheme generates asequence (Snaλ)∞n=1 of vectors by the subdivision operator Saλ(κ) = ∑λ(j)a(k - 2j), k ∈ Z. j∈zSubdivision schemes play an important role in computer graphics and wavelet analysis. It is very interesting tounderstand under what conditions the sequence (Snaλ)∞n=1 converges to an Lp-function in an appropriate sense.This problem has been studied extensively. In this paper we show that the subdivision scheme converges forany initial vector in ep(Z) provided that it does for one nonzero vector in that space. Moreover, if the integertranslates of the refinable function are stable, the smoothness of the limit function corresponding to the vectorλ is also independent of λ.     

Characterization of multimetallic grid-type complexes by electrospray mass spectrometry

The self-assembly of the terdentate ligands 1a-h, based on terpyridine-like binding sites, with octahedrally coordinated metal ions, such as Fe(II), Co(II), Cu(II), Zn(II), Cd(II), Hg(II) and Pb(II), leads to the formation of the supramolecular grid-type complexes 2a-c(M(II)), 3d-g(M(II)) and 4h(M(II)). The structures and compositions of these coordination complexes in solution were deduced from electrospray mass spectrometry (ESMS) measurements. The results agree with the data available from x-ray radiocrystallography in the solid state and/or NMR spectroscopy in solution. ESMS may be applied in cases where other methods are difficult to use or inconclusive. This study stresses the power of ESMS in supramolecular chemistry.     

Computation of complex fluid flows using an adaptive grid method

Recently the concept of adaptive grid computation has received much attention in the computational fluid dynamics research community. This paper continues the previous efforts of multiple one-dimensional procedures in developing and asessing the ideas of adaptive grid computation. The focus points here are the issue of numerical stability induced by the grid distribution and the accuracy comparison with previously reported work. Two two-dimensional problems with complicated characteristics—namely, flow in a channel with a sudden expansion and natural convection in an enclosed square cavity—are used to demonstrate some salient features of the adaptive grid method. For the channel flow, by appropriate distribution of the grid points the numerical algorithm can more effectively dampen out the instabilities, especially those related to artificial boundary treatments, and hence can converge to a steady-state solution more rapidly. For a more accurate finite difference operator, which contains less undesirable numerical diffusion, the present adaptive grid method can yield a steady-state and convergent solution, while uniform grids produce non-convergent and numerically oscillating solutions. Furthermore, the grid distribution resulting from the adaptive procedure is very responsive to the different characteristics of laminar and turbulent flows. For the problem of natural convection, a combination of a multiple one-dimensional adaptive procedure and a variational formulation is found very useful. Comparisons of the solutions on uniform and adaptive grids with the reported benchmark calculations demonstrate the important role that the adaptive grid computation can play in resolving complicated flow characteristics.     

Conformational analysis of methylphenidate: comparison of molecular orbital and molecular mechanics methods

Summary Methylphenidate (MP) binds to the cocaine binding site on the dopamine transporter and inhibits reuptake of dopamine, but does not appear to have the same abuse potential as cocaine. This study, part of a comprehensive effort to identify a drug treatment for cocaine abuse, investigates the effect of choice of calculation technique and of solvent model on the conformational potential energy surface (PES) of MP and a rigid methylphenidate (RMP) analogue which exhibits the same dopamine transporter binding affinity as MP. Conformational analysis was carried out by the AM1 and AM1/SM5.4 semiempirical molecular orbital methods, a molecular mechanics method (Tripos force field with the dielectric set equal to that of vacuum or water) and the HF/6-31G* molecular orbital method in vacuum phase. Although all three methods differ somewhat in the local details of the PES, the general trends are the same for neutral and protonated MP. In vacuum phase, protonation has a distinctive effect in decreasing the regions of space available to the local conformational minima. Solvent has little effect on the PES of the neutral molecule and tends to stabilize the protonated species. The random search (RS) conformational analysis technique using the Tripos force field was found to be capable of locating the minima found by the molecular orbital methods using systematic grid search. This suggests that the RS/Tripos force field/vacuum phase protocol is a reasonable choice for locating the local minima of MP. However, the Tripos force field gave significantly larger phenyl ring rotational barriers than the molecular orbital methods for MP and RMP. For both the neutral and protonated cases, all three methods found the phenyl ring rotational barriers for the RMP conformers/invertamers (denoted as cte, tte, and cta) to be: cte, tte> MP > cta. Solvation has negligible effect on the phenyl ring rotational barrier of RMP. The B3LYP/6-31G* density functional method was used to calculate the phenyl ring rotational barrier for neutral MP and gave results very similar to those of the HF/6-31G* method.     

Convergence rates of cascade algorithms

We consider solutions of a refinement equation of the form

where is a finitely supported sequence called the refinement mask. Associated with the mask is a linear operator defined on by . This paper is concerned with the convergence of the cascade algorithm associated with , i.e., the convergence of the sequence in the -norm.

Our main result gives estimates for the convergence rate of the cascade algorithm. Let be the normalized solution of the above refinement equation with the dilation matrix being isotropic. Suppose lies in the Lipschitz space , where 0$"> and . Under appropriate conditions on , the following estimate will be established:

where and is a constant. In particular, we confirm a conjecture of A. Ron on convergence of cascade algorithms.

     

Mixed finite volume methods on nonstaggered quadrilateral grids for elliptic problems

We construct and analyze a mixed finite volume method on quadrilateral grids for elliptic problems written as a system of two first order PDEs in the state variable (e.g., pressure) and its flux (e.g., Darcy velocity). An important point is that no staggered grids or covolumes are used to stabilize the system. Only a single primary grid system is adopted, and the degrees of freedom are imposed on the interfaces. The approximate flux is sought in the lowest-order Raviart-Thomas space and the pressure field in the rotated- nonconforming space. Furthermore, we demonstrate that the present finite volume method can be interpreted as a rotated- nonconforming finite element method for the pressure with a simple local recovery of flux. Numerical results are presented for a variety of problems which confirm the usefulness and effectiveness of the method.

     

Curvature integrability of subdivision surfaces

We examine the smoothness properties of the principal curvatures of subdivision surfaces near irregular points. In particular we give an estimate of their L _p class based on the eigenstructure of the subdivision matrix. As a result we can show that the popular Loop and Catmull–Clark schemes (among many others) have square integrable principal curvatures enabling their use as shape functions in FEM treatments of the thin shell equations.     

Refinable subspaces of a refinable space

Local refinable finitely generated shift-invariant spaces play a significant role in many areas of approximation theory and geometric design. In this paper we present a new approach to the construction of such spaces. We begin with a refinable function which is supported on . We are interested in spaces generated by a function built from the shifts of .

     

双频氦氖激光回馈位移测量系统的实验与应用研究

研究了一种全新的纳米尺度位移测量系统。将双折射元件插入He-Ne激光器谐振腔内产生频率分裂效应，使原本单模谐振的激光器输出变成了频差可调的2个正交偏振频率（o光和e光），而形成双频激光器。在激光谐振腔外放置沿激光轴线位移的反射表面，将输出的激光束反射回腔内，以便对激光的光强进行调制，可实现高分辨率非接触式可判向位移测量。提出了一种细分方法，该方法突破了传统干涉系统的衍射极限（1/2波长）。对于633nm波长He-Ne激光，本系统的理想分辨率为1/8波长（约为79nm）。