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21.
We report the coexistence of γ(γ′) and θ alumina grown on the CoAl(1 0 0) surface. Both phases were observed after annealing of alumina at 1150 K by means of scanning tunnelling microscopy (STM). The crystal structures of γ(γ′) and θ alumina were indexed based on low energy electron diffraction (LEED) and STM experimental data. 相似文献
22.
A method for calculating the number of rotamers of a linear alkane and of the number of rotamers with a given number of gauche conformations along the chain as a function of the total number of atoms in the chain, using general equations, is presented. A graphical method for generating individual rotamers was applied to the homologs up to decane, which has 1134 rotamers. The steric energies calculated by molecular mechanics (MM2 force field) were used as measures of the heat of formation for the coiled conformations relative to the anti conformer for each molecule, whereas the statistical entropy differences were calculated for classes of coiled rotamers grouped by the number of gauche bonds and steric energy. The free energy values calculated from these components show that already at 400 K hexane exists preferentially in conformations containing gauche bonds. For larger chains the free energy advantage for the coiled chains increases very steeply. The implications for the question of reactions of linear alkanes occurring on the surface or inside the channels of small- and medium-pore zeolites are briefly examined. 相似文献
23.
We investigate function spaces of generalised smoothness of Besov and Triebel–Lizorkin type. Equivalent quasi-norms in terms
of maximal functions and local means are given. An atomic decomposition theorem for this type of spaces is proved.
Mathematics Subject Classification (2000) 46E35 相似文献
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6-Thia-l-aza-5λ5-phosphabicyclo[3.2.0]hept-3-enes and Isothiocyanatophosphine-sulfides from (Methylidenamino)phosphines, Carbon Disulfide, and Acetylene- or Ethylene Derivatives (Methylidenamino)phosphines react with carbon disulfide to 1,3,2-thiazaphosphete derivatives 2 . Acetylenedicarboxylates give with 2 6-thia-l-aza-5λ5-phosphabicyclo[3.2.0]hept-3-enes 4a , b , and acrylates yield isothio-cyanatophosphin-sulfides 5a – c . The structures of 4a and 5a are proven by an X-ray diffraction analysis. 相似文献
26.
We study the transversal spin–spin correlations in the non-equilibrium steady state of the XY chain constructed by coupling a finite cutout of the chain to the two infinite parts to its left and right acting as thermal reservoirs at different temperatures. We prove that the spatial decay of these correlations is at least exponentially fast. 相似文献
27.
Dale B. McDonald Walter J. Grantham Wayne L. Tabor Michael J. Murphy 《Applied Mathematical Modelling》2007
The focus of this paper is the optimization of complex multi-parameter systems. We consider systems in which the objective function is not known explicitly, and can only be evaluated through computationally intensive numerical simulation or through costly physical experiments. The objective function may also contain many local extrema which may be of interest. Given objective function values at a scattered set of parameter values, we develop a response surface model that can dramatically reduce the required computation time for parameter optimization runs. The response surface model is developed using radial basis functions, producing a model whose objective function values match those of the original system at all sampled data points. Interpolation to any other point is easily accomplished and generates a model which represents the system over the entire parameter space. This paper presents the details of the use of radial basis functions to transform scattered data points, obtained from a complex continuum mechanics simulation of explosive materials, into a response surface model of a function over the given parameter space. Response surface methodology and radial basis functions are discussed in general and are applied to a global optimization problem for an explosive oil well penetrator. 相似文献
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