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21.
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
22.
We study the existence and the continuity properties of the boundary values on the real axis of the resolvent of a self-adjoint operator H in the framework of the conjugate operator method initiated by Mourre. We allow the conjugate operator A to be the generator of a C0-semigroup (finer estimates require A to be maximal symmetric) and we consider situations where the first commutator [H,iA] is not comparable to H. The applications include the spectral theory of zero mass quantum field models. 相似文献
23.
F. R. Ling B. Wang T. Geng S. Q. Fang W. Yuan D. D. Teng C. X. Guan 《Optics & Laser Technology》2004,36(7):541-544
In this paper experimental studies of nonvolatile photorefractive holographic recording in Ce:Cu:LiNbO3 crystals doped with Sc(0,1,2,3 mol%) were carried out. The Sc:Ce:Cu:LiNbO3 crystals were grown by the Czochralski method and oxidized in Nb2O5 powders. The nonvolatile holographic recording in Sc:Ce:Cu:LiNbO3 crystals was realized by the two-photon fixed method. We found that the recording time of Sc:Ce:Cu:LiNbO3 crystal became shorter with the increase of Sc doping concentration, especially doping with Sc(3 mol%), which exceeds the so-called threshold, and there was little loss of nonvolatile diffraction efficiencies between Sc(3 mol%):Ce:Cu:LiNbO3 and Ce:Cu:LiNbO3 crystals. 相似文献
24.
Tm3+/Yb3+-codoped germanate-niobic (GN) and germanium-bismuth (GB) glasses have been synthesized by conventional melting and quenching method. Intense blue and weak red emissions centered at 477 and 650 nm, corresponding to the transitions 1G4→3H6 and 1G4→3H4, respectively, were observed at room temperature. The possible up-conversion mechanisms are discussed and estimated. GN glass showed a weaker up-conversion emission than GB glass, which is inconsistent with the prediction from the difference of maximum phonon energy between GN and GB glasses. In this paper, Raman spectroscopy was employed to investigate the origin of the difference in up-conversion luminescence in the two glasses. Compared with phonon side-band spectroscopy, Raman spectroscopy extracts more information including both phonon energy and phonon density. For the first time, our results reveal that, besides the maximum phonon energy, the phonon density of host glasses is also an important factor in determining the up-conversion efficiency. 相似文献
25.
26.
Linear mixed 0–1 integer programming problems may be reformulated as equivalent continuous bilevel linear programming (BLP)
problems. We exploit these equivalences to transpose the concept of mixed 0–1 Gomory cuts to BLP. The first phase of our new
algorithm generates Gomory-like cuts. The second phase consists of a branch-and-bound procedure to ensure finite termination
with a global optimal solution. Different features of the algorithm, in particular, the cut selection and branching criteria
are studied in details. We propose also a set of algorithmic tests and procedures to improve the method. Finally, we illustrate
the performance through numerical experiments. Our algorithm outperforms pure branch-and-bound when tested on a series of
randomly generated problems.
Work of the authors was partially supported by FCAR, MITACS and NSERC grants. 相似文献
27.
Let E\subset \Bbb R
s
be compact and let d
n
E
denote the dimension of the space of polynomials of degree at most n in s variables restricted to E . We introduce the notion of an asymptotic interpolation measure (AIM). Such a measure, if it exists , describes the asymptotic behavior of any scheme τ
n
={ \bf x
k,n
}
k=1
dnE
, n=1,2,\ldots , of nodes for multivariate polynomial interpolation for which the norms of the corresponding interpolation operators do
not grow geometrically large with n . We demonstrate the existence of AIMs for the finite union of compact subsets of certain algebraic curves in R
2
. It turns out that the theory of logarithmic potentials with external fields plays a useful role in the investigation. Furthermore,
for the sets mentioned above, we give a computationally simple construction for ``good' interpolation schemes.
November 9, 2000. Date revised: August 4, 2001. Date accepted: September 14, 2001. 相似文献
28.
本针对P0函数互补问题,给出了一种微方程方法,并且证明了P0函数互补问题的解是微分方程系统的渐进稳定平衡点。在适当的假设条件下,证明了所给出的算法具有二次收敛速度。几个数值例子表明了该算法的有效性。 相似文献
29.
Samit Mandal T. Madhusoodhanan Subinit Roy S. Ray H. Majumdar S. Datta S. S. Ghugre S. Ghosh A. Mandal D. K. Avasthi S. K. Datta 《Nuclear Physics A》2003,720(3-4):222-244
Angular distributions of elastic scattering and inelastic scattering from 2+1 state are measured for 16O+142,144,146Nd systems at several energies in the vicinity of the Coulomb barrier. The angular distributions are systematically analyzed in coupled channel framework. Renormalized double folded real optical and coupling potentials with DDM3Y interaction have been used in the calculation. Relevant nuclear densities needed to generate the potentials are derived from shell model wavefunctions. A truncated shell model calculation has been performed and the calculated energy levels are compared with the experimental ones. To simulate the absorption, a ‘hybrid’ approach is adopted. The contribution to the imaginary potential of couplings to the inelastic channels, other than the 2+1 target excitation channel, is calculated in the Feshbach formalism. This calculated imaginary potential along with a short ranged volume Woods–Saxon potential to simulate the absorption in fusion channel reproduces the angular distributions for 16O+146Nd quite well. But for 16O+142,144Nd systems additional surface absorption is found to be necessary to fit the angular distribution data. The variations of this additional absorption term with incident energy and the mass of the target are explored. 相似文献
30.
Almost thirty years ago, Penny G. Estabrooks asked “Where and what are the scalar mesons?” (P. Estabrooks, Phys. Rev. D 19, 2678 (1979)). The first part of her question can now be confidently responded (E. van Beveren et al., Z. Phys. C 30, 615 (1986)). However, with respect to the “What” many puzzles remain unanswered. Scalar and axial-vector mesons form part
of a large family of mesons. Consequently, though it is useful to pay them some extra attention, there is no point in discussing
them as isolated phenomena. The particularity of structures in the scattering of --basically-- pions and kaons with zero angular
momentum is the absence of the centrifugal barrier, which allows us to “see” strong interactions at short distances. Experimentally
observed differences and similarities between scalar and axial-vector mesons on the one hand, and other mesons on the other
hand, are very instructive for further studies. Nowadays, there exists an abundance of theoretical approaches towards the
mesonic spectrum, ranging from confinement models of all kinds, i.e., glueballs, and quark-antiquark, multiquark and hybrid configurations, to models in which only mesonic degrees of freedom
are taken into account. Nature seems to come out somewhere in the middle, neither preferring pure bound states, nor effective
meson-meson physics with only coupling constants and possibly form factors. As a matter of fact, apart from a few exceptions,
like pions and kaons, Nature does not allow us to study mesonic bound states of any kind, which is equivalent to saying that
such states do not really exist. Hence, instead of extrapolating from pions and kaons to the remainder of the meson family,
it is more democratic to consider pions and kaons mesonic resonances that happen to come out below the lowest threshold for
strong decay. Nevertheless, confinement is an important ingredient for understanding the many regularities observed in mesonic
spectra. Therefore, excluding quark degrees of freedom is also not the most obvious way of describing mesons in general, and
scalars and axial-vectors in particular. 相似文献