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51.
X. Yang 《Applied Surface Science》2006,252(10):3647-3657
The room-temperature adsorption and thermally induced processes of propionic acid and pyruvic acid on Ni(1 0 0) have been investigated by electron energy loss spectroscopy (EELS). Computational vibrational analysis of the optimized bidentate structures for acid-Ni model complexes (involving the organic acid and a Ni atom) has been performed by using the two-layer ONIOM method with the Density Functional Theory and used to interpret the vibrational EELS data. Dehydrogenation of the hydroxyl group is found to result in bonding of the carboxylate group in the propionate and pyruvate adspecies to either a single Ni surface atom in a bidentate configuration or two neighbouring Ni atoms in a bridge configuration. Given the similarities in the total energies and related vibrational frequencies obtained by the calculations in the case of pyruvate adspecies, it is difficult to differentiate the alternate adsorption structure, in which the keto O and hydroxyl O atoms are bonded to a Ni atom in a five-member chelate ring configuration. Furthermore, temperature-dependent EELS studies show that both the propionate and pyruvate adspecies could decompose upon annealing to above 400 K and further dissociate to CO adspecies above 550 K and to C and/or O above 600 K. 相似文献
52.
We present theoretical results of the electron impact ionization rate in GaAs/AlGaAs multiquantum well structures as a function of applied electric field for various geometries, i.e., well and barrier widths. In addition, we present preliminary measurements of the current-voltage characteristics of MBE grown devices which demonstrate very low leakage current as well as sharp breakdwon behavior. It is found that the net ionization rate, determined by averaging over the constitutent GaAs and AlGaAs layers, approaches the weighted average of the constituent bulk rates at high electric field strengths; the potential discontinuity is relatively unimportant. The electron ionization rate within the well regions alone is still higher than that in bulk GaAs, but is insufficiently enhanced to compensate for the much lower rate in the AlGaAs layers. As the field is lowered to 250.0 kV/cm, the average ionization rate in the multiquantum well structure becomes larger than in the bulk. 相似文献
53.
Zhong‐Zhen Yu Mingshu Yang Qingxin Zhang Chungui Zhao Yiu‐Wing Mai 《Journal of Polymer Science.Polymer Physics》2003,41(11):1234-1243
Nylon‐66 nanocomposites were prepared by melt‐compounding nylon‐66 with an alkyl ammonium surfactant pretreated montmorillonite (MMT). The thermal stability of the organic MMT powders was measured by thermogravimetric analysis. The decomposition of the surfactant on the MMT occurred from 200 to 500 °C. The low onset decomposition temperature of the organic MMT is one shortcoming when it is used to prepare polymer nanocomposites at high melt‐compounding temperatures. To provide greater property enhancement and better thermal stability of the polymer/MMT nanocomposites, it is necessary to develop MMT modified with more thermally stable surfactants. The dispersion and spatial distribution of the organic MMT layers in the nylon‐66 matrix were characterized by X‐ray diffraction. The organic MMT layers were exfoliated but not randomly dispersed in the nylon‐66 matrix. A model was proposed to describe the spatial distribution of the organic MMT layers in an injection‐molded rectangular bar of nylon‐66/organic MMT nanocomposites. Most organic MMT layers were oriented in the injection‐molding direction. Layers near the four surfaces of the bar were parallel to their corresponding surfaces; whereas those in the bulk differed from the near‐surface layers and rotated themselves about the injection‐molding direction. The influence of the spatial distribution of the organic MMT on crystallization of nylon‐66 was also investigated. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 1234–1243, 2003 相似文献
54.
Bing-sheng He Zhen-hua Yang Xiao-ming Yuan 《Journal of Mathematical Analysis and Applications》2004,300(2):139-374
Proximal point algorithms (PPA) are attractive methods for monotone variational inequalities. The approximate versions of PPA are more applicable in practice. A modified approximate proximal point algorithm (APPA) presented by Solodov and Svaiter [Math. Programming, Ser. B 88 (2000) 371–389] relaxes the inexactness criterion significantly. This paper presents an extended version of Solodov–Svaiter's APPA. Building the direction from current iterate to the new iterate obtained by Solodov–Svaiter's APPA, the proposed method improves the profit at each iteration by choosing the optimal step length along this direction. In addition, the inexactness restriction is relaxed further. Numerical example indicates the improvement of the proposed method. 相似文献
55.
TieYong YangGuangjun 《分析论及其应用》2004,20(1):58-68
In this paper, we construct some continuous but non-differentiable functions defined by quinary decimal, that are Kiesswetter-like functions. We discuss their properties, then investigate the Hausdorff dimensions of graphs of these functions and give a detailed proof. 相似文献
56.
Shu Fen Wang Wen Guo Zou Su Wen Liu Dong Xu Duo Rong Yuan Guang Jun Zhou 《Journal of Physics and Chemistry of Solids》2004,65(7):1243-1245
The photoluminescence properties of the Bi3+ in sol-gel derived ZnTiO3 nanocrystals have been investigated. An ultra-violet emission at 360 nm and a visible emission band at 506 nm have been observed, originating from two kinds of emission centers. The former is ascribed to the 3P1-1S0 transition of Bi3+ and the latter to the recombination of the electrons with the photo-generated holes trapped in the zinc vacancies. In all cases the latter contribution is predominant. 相似文献
57.
We study the elastic responses of double-(ds) and single-stranded (ss) DNA at external force fields. A double-strand-polymer
elastic model is constructed and solved by path integral methods and Monte Carlo simulations to understand the entropic elasticity,
cooperative extensibility, and supercoiling property of dsDNA. The good agreement with experiments indicates that short-ranged
base-pair stacking interaction is crucial for the stability and the high deformability of dsDNA. Hairpin-coil transition in
ssDNA is studied with generating function method. A threshold force is needed to pull the ssDNA hairpin patterns, stabilized
by base pairing and base-pair stacking, into random coils. This phase transition is predicted to be of first order for stacking
potential higher than some critical level, in accordance with experimental observations. 相似文献
58.
有些题目即使解法不正确,也可能得出正确的答案. 如果注意了答案对但解法错的情况,让学生判别其正误,那么对于物理概念的理解、物理规律的掌握、思维能力的提高都将起重要作用. 例l 重10N的均匀木棒AB长为L,B端放在地面上,A端用竖直的绳子吊起(图 相似文献
59.
A facile, rapid and regioselective method for the 1-O-deacylation of peracylated glycopyranoses is described which occurs under mild conditions by absorption onto alumina using microwave irradiation. 相似文献
60.
We study the half-space problem of the nonlinear Boltzmann equation, assigning the Dirichlet data for outgoing particles
at the boundary and a Maxwellian as the far field. We will show that the solvability of the problem changes with the Mach
number ℳ∞ of the far Maxwellian. If ℳ∞<−1, there exists a unique smooth solution connecting the Dirichlet data and the far Maxwellian for any Dirichlet data sufficiently
close to the far Maxwellian. Otherwise, such a solution exists only for the Dirichlet data satisfying certain admissible conditions.
The set of admissible Dirichlet data forms a smooth manifold of codimension 1 for the case −1<ℳ∞<0, 4 for 0<ℳ∞<1 and 5 for ℳ∞>1, respectively. We also show that the same is true for the linearized problem at the far Maxwellian, and the manifold is,
then, a hyperplane. The proof is essentially based on the macro-micro or hydrodynamics-kinetic decomposition of solutions
combined with an artificial damping term and a spatially exponential decay weight.
Received: 20 April 2002 / Accepted: 4 December 2002
Published online: 21 March 2003
Communicated by H.-T. Yau 相似文献