Analytical solutions of the lattice Boltzmann BGK model

Analytical solutions of the two-dimensional triangular and square lattice Boltzmann BGK models have been obtained for the plane Poiseuille flow and the plane Couette flow. The analytical solutions are written in terms of the characteristic velocity of the flow, the single relaxation time , and the lattice spacing. The analytic solutions are the exact representation of these two flows without any approximation. Using the analytical solution, it is shown that in Poiseuille flow the bounce-back boundary condition introduces an error of first order in the lattice spacing. The boundary condition used by Kadanoffet al. in lattice gas automata to simulate Poiseuille flow is also considered for the triangular lattice Boltzmann BGK model. An analytical solution is obtained and used to show that the boundary condition introduces an error of second order in the lattice spacing.     

Local minima of the trust region problem

We consider the minimization of a quadratic formzVz+2zq subject to the two-norm constraint z=. The problem received considerable attention in the literature, notably due to its applications to a class of trust region methods in nonlinear optimization. While the previous studies were concerned with just the global minimum of the problem, we investigate the existence of all local minima. The problem is approached via the dual Lagrangian, and the necessary and sufficient conditions for the existence of all local minima are derived. We also examine the suitability of the conventional numerical techniques used to solve the problem to a class of single-instruction multiple-data computers known as processor arrays (in our case, AMT DAP 610). Simultaneously, we introduce certain hardware-oriented multisection algorithms, showing their efficiency in the case of small to medium size problems.This research was partially supported by the National Physical Laboratories of England under Contract RTP2/155/127.     

Fastiterative methods for least squares estimations

Least squares estimations have been used extensively in many applications, e.g. system identification and signal prediction. When the stochastic process is stationary, the least squares estimators can be found by solving a Toeplitz or near-Toeplitz matrix system depending on the knowledge of the data statistics. In this paper, we employ the preconditioned conjugate gradient method with circulant preconditioners to solve such systems. Our proposed circulant preconditioners are derived from the spectral property of the given stationary process. In the case where the spectral density functions() of the process is known, we prove that ifs() is a positive continuous function, then the spectrum of the preconditioned system will be clustered around 1 and the method converges superlinearly. However, if the statistics of the process is unknown, then we prove that with probability 1, the spectrum of the preconditioned system is still clustered around 1 provided that large data samples are taken. For finite impulse response (FIR) system identification problems, our numerical results show that annth order least squares estimator can usually be obtained inO(n logn) operations whenO(n) data samples are used. Finally, we remark that our algorithm can be modified to suit the applications of recursive least squares computations with the proper use of sliding window method arising in signal processing applications.Research supported in part by HKRGC grant no. 221600070, ONR contract no. N00014-90-J-1695 and DOE grant no. DE-FG03-87ER25037.     

A Family of Fifth-Order Runge-Kutta Pairs

The construction of a Runge-Kutta pair of order with the minimal number of stages requires the solution of a nonlinear system of order conditions in unknowns. We define a new family of pairs which includes pairs using function evaluations per integration step as well as pairs which additionally use the first function evaluation from the next step. This is achieved by making use of Kutta's simplifying assumption on the original system of the order conditions, i.e., that all the internal nodes of a method contributing to the estimation of the endpoint solution provide, at these nodes, cost-free second-order approximations to the true solution of any differential equation. In both cases the solution of the resulting system of nonlinear equations is completely classified and described in terms of five free parameters. Optimal Runge-Kutta pairs with respect to minimized truncation error coefficients, maximal phase-lag order and various stability characteristics are presented. These pairs were selected under the assumption that they are used in Local Extrapolation Mode (the propagated solution of a problem is the one provided by the fifth-order formula of the pair). Numerical results obtained by testing the new pairs over a standard set of test problems suggest a significant improvement in efficiency when using a specific pair of the new family with minimized truncation error coefficients, instead of some other existing pairs.

     

Balancing domain decomposition for problems with large jumps in coefficients

The Balancing Domain Decomposition algorithm uses in each iteration solution of local problems on the subdomains coupled with a coarse problem that is used to propagate the error globally and to guarantee that the possibly singular local problems are consistent. The abstract theory introduced recently by the first-named author is used to develop condition number bounds for conforming linear elements in two and three dimensions. The bounds are independent of arbitrary coefficient jumps between subdomains and of the number of subdomains, and grow only as the squared logarithm of the mesh size . Computational experiments for two- and three-dimensional problems confirm the theory.

     

Optimal error estimates of a locally one-dimensional method for the multidimensional heat equation

For the multidimensional heat equation in a parallelepiped, optimal error estimates inL ₂(Q) are derived. The error is of the order of +¦h¦² for any right-hand sidef L ₂(Q) and any initial function ; for appropriate classes of less regularf andu ₀, the error is of the order of ((+¦h¦² ), 1/2<1.Translated fromMatematicheskie Zametki, Vol. 60, No. 2, pp. 185–197, August, 1996.     

Convergence of Krylov methods for sums of two operators

We discuss the convergence of Krylov subspace methods for equationsx =Tx +f whereT is a sum of two operators,T =B +K, whereB is bounded andK is nuclear. Bounds are given for inf Q _k (B+K) and for inf p _k (B+K), where the infimum is over all polynomials of degreek, such thatQ _k is monic andp _k is normalized:p _k (1) = 1.     

High-Resolution,Higher-Order UV/VIS Derivative Spectrophotometry

Derivative spectrophotometry has gained increasing importance in the past two years and is currently experiencing vigorous development. Following and introduction the present article provides a review of this extremely effective method. In particular, the advantages of higher-order derivative spectrophotometry (HODS method, n > 2) are discussed on the basis of practical examples from a wide range of analytical fields. The results are achieved with the aid of a newly developed analog computer unit, whereby for the first time readily reproducible, low-noise, on-line spectra can be obtained up to the 7th order and even, in favorable cases, up to the 9th order. In practice it has proved valuable to work with spectra of the 3rd to 5th order; but even higher derivations could be profitable for the separation of strongly superposed signals or for “fingerprinting”.     

Modern Analysis

The important advances being made in modern analytical methods are indicative of the fundamental changes that are occuring in the theory and practice of “analytical chemistry”. “Information optimization” demands a new approach in teaching and research, and calls for the intergration of chemistry with other scientific and technical disciplines.     

Catalyzed Addition of Aldehydes to Activated Double Bonds—A New Synthetic Approach

In the presence of cyanide ions as catalyst, aromatic and heterocyclic aldehydes can be smoothly added to α,β-unsaturated ketones, esters, and nitriles in aprotic solvents to form γ-diketones, 4-oxo carboxylic esters, and 4-oxo nitriles. Thiazolium salts in the presence of bases are also suitable catalysts; they permit not only addition of aromatic and heterocyclic aldehydes but also the addition of aliphatic aldehydes.