DUAL FUNCTIONALS OF SAID-BEZIER TYPE GENERALIZED BALL BASES OVER TRIANGLE DOMAIN AND THEIR APPLICATION

A family of Said-Bézier type generalized Ball (SBGB) bases and surfaces with a parameter H over triangular domain is introduced, which unifies Bézier surface and Said-Ball surface and includes several intermediate surfaces. To convert different bases and surfaces, the dual functionals of bases are presented. As an application of dual functionals, the subdivision formulas for surfaces are established.     

Full-relativistic calculation of electronic structure of Zr2AlC and Zr2AlN

We have employed a full-relativistic version of an all-electron full-potential linearized-augmented plane-wave method in the local density approximation to investigate the electronic structure of nanolaminate Zr₂AlX (X=C and N). The Zr 4d electrons are treated as valence electrons. We have investigated the lattice parameters, bulk moduli, band structures, total and partial densities of states and charge densities. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes.     

Rehabilitation of the Gauss-Jordan algorithm

Summary In this paper a Gauss-Jordan algorithm with column interchanges is presented and analysed. We show that, in contrast with Gaussian elimination, the Gauss-Jordan algorithm has essentially differing properties when using column interchanges instead of row interchanges for improving the numerical stability. For solutions obtained by Gauss-Jordan with column interchanges, a more satisfactory bound for the residual norm can be given. The analysis gives theoretical evidence that the algorithm yields numerical solutions as good as those obtained by Gaussian elimination and that, in most practical situations, the residuals are equally small. This is confirmed by numerical experiments. Moreover, timing experiments on a Cyber 205 vector computer show that the algorithm presented has good vectorisation properties.     

Unavoidable Traces Of Set Systems

Sauer, Shelah, Vapnik and Chervonenkis proved that if a set system on n vertices contains many sets, then the set system has full trace on a large set. Although the restriction on the size of the groundset cannot be lifted, Frankl and Pach found a trace structure that is guaranteed to occur in uniform set systems even if we do not bound the size of the groundset. In this note we shall give three sequences of structures such that every set system consisting of sufficiently many sets contains at least one of these structures with many sets.     

Admissible slopes for monotone and convex interpolation

Summary In many applications, interpolation of experimental data exhibiting some geometric property such as nonnegativity, monotonicity or convexity is unacceptable unless the interpolant reflects these characteristics. This paper identifies admissible slopes at data points of variousC ¹ interpolants which ensure a desirable shape. We discuss this question, in turn for the following function classes commonly used for shape preserving interpolations: monotone polynomials,C ¹ monotone piecewise polynomials, convex polynomials, parametric cubic curves and rational functions.     

Electron-phonon interaction in tetrahedral semiconductors

Considerable progress has been made in recent years in the field of ab initio calculations of electronic band structures of semiconductors and insulators. The one-electron states (and the concomitant two-particle excitations) have been obtained without adjustable parameters, with a high degree of reliability. Also, more recently, the electron-hole excitation frequencies responsible for optical spectra have been calculated. These calculations, however, are performed with the constituent atoms fixed in their crystallographic positions and thus neglect the effects of the lattice vibrations (i.e. electron-phonon interaction) which can be rather large, even larger than the error bars assumed for ab initio calculations.Effects of electron-phonon interactions on the band structure can be experimentally investigated in detail by measuring the temperature dependence of energy gaps or critical points (van Hove singularities) of the optical excitation spectra. These studies have been complemented in recent years by observing the dependence of such spectra on isotopic mass whenever different stable isotopes of a given atom are available at affordable prices. In crystals composed of different atoms, the effect of the vibration of each separate atom can thus be investigated by isotopic substitution. Because of the zero-point vibrations, such effects are present even at zero temperature (T=0).In this paper, we discuss state-of-the-art calculations of the dielectric function spectra and compare them with experimental results, with emphasis on the differences introduced by the electron-phonon interaction. The temperature dependence of various optical parameters will be described by means of one or two (in a few cases three) Einstein oscillators, except at the lowest temperatures where the T⁴ law (contrary to the Varshni T² result) will be shown to apply. Increasing an isotopic mass increases the energy gaps, except in the case of monovalent Cu (e.g. CuCl) and possibly Ag (e.g. AgGaS₂). It will be shown that the gaps of tetrahedral materials containing an element of the first row of the periodic table (C,N,O) are strongly affected by the electron-phonon interaction. It will be conjectured that this effect is related to the superconductivity recently observed in heavily boron-doped carbon.     

Construction of the fundamental solution of disturbed parabolic equation

In present paper the parabolic equation solution is built. The construction is reduced to iterative procedure. And convergence of the latter is proven.     

A real algorithm for the Hermitian eigenvalue decomposition

Modifying complex plane rotations, we derive a new Jacobi-type algorithm for the Hermitian eigendecomposition, which uses only real arithmetic. When the fast-scaled rotations are incorporated, the new algorithm brings a substantial reduction in computational costs. The new method has the same convergence properties and parallelism as the symmetric Jacobi algorithm. Computational test results show that it produces accurate eigenvalues and eigenvectors and achieves great reduction in computational time.The work of this author was supported in part by the National Science Foundation grant CCR-8813493 and by the University of Minnesota Army High Performance Computing Research Center contract DAAL 03-89-C-0038.The work of this author was supported in part by the University of Minnesota Army High Performance Computing Research Center contract DAAL 03-89-C-0038.     

A note on minimization problems and multistep methods

Summary. We use the qualitative properties of the solution flow of the gradient equation to compute a local minimum of a real-valued function . Under the regularity assumption of all equilibria we show a convergence result for bounded trajectories of a consistent, strictly stable linear multistep method applied to the gradient equation. Moreover, we compare the asymptotic features of the numerical and the exact solutions as done by Humphries, Stuart (1994) and Schropp (1995) for one-step methods. In the case of -stable formulae this leads to an efficient solver for stiff minimization problems. Received July 10, 1995 / Revised version received June 27, 1996     

Thermal diffusivity measurements in porous ceramics by photothermal methods

Received: 16 September 1996/Accepted: 6 January 1997