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21.
Eldad Herceg 《Surface science》2006,600(19):4563-4571
The formation of a well-ordered p(2 × 2) overlayer of atomic nitrogen on the Pt(1 1 1) surface and its reaction with hydrogen were characterized with reflection absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), low energy electron diffraction (LEED), Auger electron spectroscopy (AES), and X-ray photoelectron spectroscopy (XPS). The p(2 × 2)-N overlayer is formed by exposure of ammonia to a surface at 85 K that is covered with 0.44 monolayer (ML) of molecular oxygen and then heating to 400 K. The reaction between ammonia and oxygen produces water, which desorbs below 400 K. The only desorption product observed above 400 K is molecular nitrogen, which has a peak desorption temperature of 453 K. The absence of oxygen after the 400 K anneal is confirmed with AES. Although atomic nitrogen can also be produced on the surface through the reaction of ammonia with an atomic, rather than molecular, oxygen overlayer at a saturation coverage of 0.25 ML, the yield of surface nitrogen is significantly less, as indicated by the N2 TPD peak area. Atomic nitrogen readily reacts with hydrogen to produce the NH species, which is characterized with RAIRS by an intense and narrow (FWHM ∼ 4 cm−1) peak at 3322 cm−1. The areas of the H2 TPD peak associated with NH dissociation and the XPS N 1s peak associated with the NH species indicate that not all of the surface N atoms can be converted to NH by the methods used here. 相似文献
22.
A Modified Quasi-Newton Method for Structured Optimization with Partial Information on the Hessian 总被引:2,自引:0,他引:2
This paper develops a modified quasi-Newton method for structured unconstrained optimization with partial information on the
Hessian, based on a better approximation to the Hessian in current search direction. The new approximation is decided by both
function values and gradients at the last two iterations unlike the original one which only uses the gradients at the last
two iterations. The modified method owns local and superlinear convergence. Numerical experiments show that the proposed method
is encouraging comparing with the methods proposed in [4] for structured unconstrained optimization
Presented at the 6th International Conference on Optimization: Techniques and Applications, Ballarat, Australia, December
9–11, 2004 相似文献
23.
Mehdi Dehghan 《Numerical Methods for Partial Differential Equations》2002,18(2):193-202
Developement of numerical methods for obtaining approximate solutions to the three dimensional diffusion equation with an integral condition will be carried out. The numerical techniques discussed are based on the fully explicit (1,7) finite difference technique and the fully implicit (7,1) finite difference method and the (7,7) Crank‐Nicolson type finite difference formula. The new developed methods are tested on a problem. Truncation error analysis and numerical examples are used to illustrate the accuracy of the new algorithms. The results of numerical testing show that the numerical methods based on the finite difference techniques discussed in the present article produce good results. © 2002 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 18: 193–202, 2002; DOI 10.1002/num.1040 相似文献
24.
用经验赝势方法计算了体ZnSe以及ZnSe/GaAs单异质结系统中ZnSe外延层г、X、L等特殊对称点导带底能量随压力的变化。结果表明,同Si、Ge、GaAs等半导体材料不同,ZnSe的X点导带底具有正的压力系数,但比г点的压力系数小,这是ZnSe材料以及ZnSe基异质结构材料发生直接禁带向间接禁带的转变时所需转变压力较大的根本原因。研究了ZnSe/GaAs异质结构中晶格失配造成的应变对外延层г、X、L对称点压力系数的影响,表明这种晶格失配造成的应变可以极大地减小ZnSe外延层材料由直接禁带向间接禁带的转变压力。 相似文献
25.
We investigate an operator renormalization group method to extract and describe the relevant degrees of freedom in the evolution of partial differential equations. The proposed renormalization group approach is formulated as an analytical method providing the fundamental concepts of a numerical algorithm applicable to various dynamical systems. We examine dynamical scaling characteristics in the short-time and the long-time evolution regime providing only a reduced number of degrees of freedom to the evolution process. 相似文献
26.
This paper presents an enhanced version of the elasto-plastic model for partially saturated soil first proposed by Bolzon,
Schrefler and Zienkiewicz in 1996, “BSZ” model, which uses the effective stress tensor and suction as independent stress variables.
It is recalled that the effective stress tensor proposed by Lewis and Schrefler in 1982 is thermodynamically consistent and,
compared with other choices of stress tensors, results particularly suitable for partially saturated soil mechanics. A hydraulic
constitutive relationship and a hydraulic hysteresis are introduced in the model, to take into account the irreversible deformation
during cyclic drying and wetting until structural collapse. For this reason the plastic rate of strain is split into the sum
of two components: one depending on the effective stress tensor and the other one on suction. This is the new feature of the
BSZ model. This enhanced model is then cast into a thermodynamical framework at macroscopic level and it is shown that it
is possible to derive the constitutive law from the Helmholtz free energy and a dissipation function, both for associative
and non- associative plasticity. Finally the model predictions have been compared with experimental data for Sion slime, with
particular emphasis on the deviatoric part, and model predictions of hysteretic behaviour have been investigated in case of
a wetting and drying cycle on compacted betonite–kaolin. 相似文献
27.
Michael T. Jury David W. Kribs 《Proceedings of the American Mathematical Society》2005,133(1):213-222
Given a row contraction of operators on a Hilbert space and a family of projections on the space that stabilizes the operators, we show there is a unique minimal joint dilation to a row contraction of partial isometries that satisfy natural relations. For a fixed row contraction the set of all dilations forms a partially ordered set with a largest and smallest element. A key technical device in our analysis is a connection with directed graphs. We use a Wold decomposition for partial isometries to describe the models for these dilations, and we discuss how the basic properties of a dilation depend on the row contraction.
28.
A. B. Mitkevich 《Mechanics of Composite Materials》2005,41(6):497-504
Errors in the programs of winding pressure vessels can lead to an asymmetric reinforcement structure, which affects the equilibrium
shape of their domes and the tension in the left and right families of filaments. In this paper, equations determining the
equilibrium shape of the domes, the tension in filaments, and the shear stresses between layers are obtained. Examples with
winding trajectories in the form of geodesics and constant-deviation lines are considered. It is found that, for pressure
vessels, in the absence of external torque, the tension levels in filaments of the left and right families differ considerably.
It is also revealed that, for actual friction coefficients in winding, the shear stresses taken up by the binder are insignificant.
__________
Translated from Mekhanika Kompozitnykh Materialov, Vol. 41, No. 6, pp. 743–752, November–December, 2005. 相似文献
29.
30.
In this note we show that all diffeomorphisms close enough to the time-one map of the frame flow on certain negatively curved manifolds are ergodic. As a simple corollary we deduce that the frame flows are ergodic for all compact manifolds with curvature pinched sufficiently close to –1, thus providing results in the case of manifolds of dimension 7 or 8 which were missing from the results of Brin and Karcher. 相似文献