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1.
Summary Consider the solution of one-dimensional linear initial-boundary value problems by a finite element method of lines using a piecewiseP
th
-degree polynomial basis. A posteriori estimates of the discretization error are obtained as the solutions of either local parabolic or local elliptic finite element problems using piecewise polynomial corrections of degreep+1 that vanish at element ends. Error estimates computed in this manner are shown to converge in energy under mesh refinement to the exact finite element discretization error. Computational results indicate that the error estimates are robust over a wide range of mesh spacings and polynomial degrees and are, furthermore, applicable in situations that are not supported by the analysis.This research was partially supported by the U.S. Air Force Office of Scientific Research, Air Force Systems Command, USAF, under Grant Number AFOSR 90-0194; by the U.S. Army Research Office under Contract Number DAAL03-91-G-0215; and by the National Science Foundation under Institutional Infrastructure Grant Number CDA-8805910 相似文献
2.
The angular variations of the five-fold differential cross section obtained by using different wave functions of helium are
compared with experimental data. It is found that in the coplanar geometry two kinematical arrangements, (i) equal energy
sharing between the two ejected electrons with one of them ejected along the momentum transfer direction and the other along
varying direction and (ii) the Bethe ridge condition with fixed sum of ejected electron energies and varying angle between
them, are very sensitive to e-e correlations contained in the target wave function. This comparison has been used to show
that open-shell class of wave functions better incorporate e-e correlations than the closed-shell class. 相似文献
3.
We describe an adaptive mesh refinement finite element method-of-lines procedure for solving one-dimensional parabolic partial differential equations. Solutions are calculated using Galerkin's method with a piecewise hierarchical polynomial basis in space and singly implicit Runge-Kutta (SIRK) methods in time. A modified SIRK formulation eliminates a linear systems solution that is required by the traditional SIRK formulation and leads to a new reduced-order interpolation formula. Stability and temporal error estimation techniques allow acceptance of approximate solutions at intermediate stages, yielding increased efficiency when solving partial differential equations. A priori energy estimates of the local discretization error are obtained for a nonlinear scalar problem. A posteriori estimates of local spatial discretization errors, obtained by order variation, are used with the a priori error estimates to control the adaptive mesh refinement strategy. Computational results suggest convergence of the a posteriori error estimate to the exact discretization error and verify the utility of the adaptive technique.This research was partially supported by the U.S. Air Force Office of Scientific Research, Air Force Systems Command, USAF, under Grant Number AFOSR-90-0194; the U.S. Army Research Office under Contract Number DAAL 03-91-G-0215; by the National Science Foundation under Grant Number CDA-8805910; and by a grant from the Committee on Research, Tulane University. 相似文献
4.
5.
The cobalt(II), cadmium(II), copper(II), mercury(II), nickel(II) and zinc(II) complexes of diethyldithiocarbamic acid were prepared and investigated by TG, DSC thin-layer chromatography and gas-liquid chromatography. Heats of fusion were determined.Permission to publish this paper has been given by the Government Chemist, Ministry of Technology. 相似文献
6.
A proof of Kerr's Theorem for generating geodesic and shearfree null congruences in Minkowski space is given in the Newman-Penrose null tetrad formalism.Supported in part by NSF Grant GP-43844-X. 相似文献
7.
Ojifinni RA Gong J Froemming NS Flaherty DW Pan M Henkelman G Mullins CB 《Journal of the American Chemical Society》2008,130(34):11250-11251
Experimental results supported by density functional theory calculations show carbonate formation and reaction on atomic oxygen precovered Au(111). Oxygen mixing is observed in temperature-programmed desorption measurements when a Au(111) precovered with 16O is exposed to isotopically labeled CO2 (C18O2). The presence of 16O18O is attributed to surface carbonate formation and decomposition at surface temperatures ranging from 77-400 K and initial oxygen coverages ranging from 0.18-2.1 ML. A reaction probability on the order of 10(-4) and an activation energy of -0.15+/- 0.08 eV are estimated for this reaction. 相似文献
8.
Daniel P. Flaherty 《Tetrahedron letters》2009,50(46):6228-10356
An efficient and widely applicable one-pot synthesis of unsymmetrical (E,E)-bis-styrylbenzenes using successive Heck and Horner-Wadsworth-Emmons reactions is described. 相似文献
9.
The aim of this brief report is to study the behaviour of sheath structure in a multi-component plasma with dust-neutral collisions.
The plasma consists of electrons, ions, micron size negatively charged dust particles and neutrals. The sheath-edge potential
and sheath width are calculated for collisionally dominated sheath. Comparison of collisionless and collisionally dominated
sheath are made. 相似文献
10.
Ellen Matthaei-Schulz Tony Flaherty Colm Flannery Tony Randles Odile Lefeuvre Pavel Zinin Laurent Robert 《Mikrochimica acta》2000,133(1-4):11-15
For quantitative assessment of the properties of hard coatings there is an increasing demand for testing methods with high
reliability of the test results, especially concerning the independence of the method and the comparability between different
laboratories. This includes the knowledge about all the factors which influence the test procedure itself, determination of
best testing conditions, testing of these conditions in round-robins to get a view of the comparability of results, and formulation
of guidelines for standardization. In a European project several test methods for hard coatings on steel were investigated
for this purpose and the elastic moduli of the coating and coating thickness were determined non-destructively by means of
quantitative acoustic microscopy. This method and the instruments available had not yet been certified in the fields of coatings
simply owing to the absence of standardised signal processing, followed by the determination of sound velocities and materials
parameter extraction. For this purpose four laboratories carried out investigations and measurements on reference samples
and on two types of hard coatings (titanium nitride and C-doped chromium) on M2 tool steel. 相似文献