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41.
A simple simulation scheme that simultaneously describes the growth kinetics of SiO2 films at the nanometer scale and the SiOx/Si interface dynamics (its extent, and spatial/temporal evolution) is presented. The simulation successfully applies to experimental data in the region above and below 10 nm, reproduces the Deal and Grove linear-parabolic law and the oxide growth rate enhancement in the very thin film regime (the so-called anomalous region). According to the simulation, the oxidation is governed mainly by two processes: (a) the formation of a transition suboxide layer and (b) its subsequent drift towards the silicon bulk. We found that it is the superposition of these two processes that produces the crossover from the anomalous oxidation region behavior to the linear-parabolic law. 相似文献
42.
F. S. de Aguiar L. B. Bernardes S. Goulart Rosa Jr. 《Journal of statistical physics》1991,64(3-4):673-682
Metastability in the ferromagneticp-state Potts model defined on the Cayley tree is discussed. It is shown that the sign of the boundary fieldH
s
determines the order of the transition as well as the stability of the low-temperature phase. Lowering the temperature withH
s
>0, a system withp<2 (p>2) will display a second (first)-order transition to a metastable (stable) phase. ForH
s
>0 a second (first)-order transition to a metastable (stable) phase occurs ifp>2 (p<2). In this case the system also has a residual entropy which is negative forp<2. 相似文献
43.
Capillary Electrophoresis Chiral Separation for Enantiomeric Purity Determination of a Basic Drug in Pharmaceutical Formulations 总被引:1,自引:0,他引:1
Capillary electrophoresis using a running buffer composed of β-cyclodextrin as the chiral selector and ethanolamine mesylate at pH 9.6 is being used to monitor the stereochemical stability of a hydrophobic drug, containing two chiral centers, in two different formulated self-emulsifying drug delivery system (SEDDS) products. The separation takes place in less than 25 min. Strategies for enhancing the method reproducibility and detection sensitivity in the lower potency formulation are presented. The results demonstrating the specificity, assay precision, recovery, linearity and range achieved during the method validation experiments are presented in this paper.Presented at: CE in the Biotechnology and Pharmaceutical Industries: 7th Symposium on the Practical Applications for the Analysis of Proteins, Nucleotides and Small Molecules, Montreal, Canada, August 12–16, 2005. 相似文献
44.
E. C. Ferreira J. A. P. da Costa J. A. K. Freire G. A. Farias V. N. Freire 《Applied Surface Science》2002,190(1-4):191-194
Confined excitons in non-abrupt GaAs/AlxGa1−xAs single quantum wells are studied. The graded interfaces are described taking into account fluctuations in their thickness a and positioning with respect to the abrupt interface picture. Numerical results for confined (0,0),(1,1) and (0,2) excitons in GaAs/Al0.3Ga0.7As quantum wells show that while the interfacial fluctuations produce small changes (<0.5 meV) in the exciton binding energies, the confined exciton energies can be red- or blue-shifted as much as 25 meV for wells with mean width of 50 Å and 2 ML wide interfaces. 相似文献
45.
F. F. Maia Jr. J. A. K. Freire G. A. Farias V. N. Freire E. F. da Silva Jr. 《Applied Surface Science》2002,190(1-4):247-251
The excitonic properties of a ZnSe/ZnSxSe1−x strained quantum well (QW) are calculated taking into account interface effects. Numerical results obtained with ZnS0.18Se0.82/ZnSe QWs show that graded interfaces can be responsible for a strong broadening of excitonic spectra. 相似文献
46.
A simple model consisting of two electronic levels and one vibrational mode (phonon) was theoretically studied. The electronic-vibrational interaction was linear in the vibrational displacement. The vibrational mode was taken in the harmonic approximation and was attached to the thermal bath formed by the ambient environment. The kinetic constants of the vibrational dissipation were of the second order in the vibrational-bath coupling and were taken in the Markovian limit. Although, depending on the parameters of the model, different curves of the non-radiative vibration-induced excited state decay were obtained, in general, three time intervals, corresponding to different physical behaviour, were found. In the short-time interval, small oscillations superimposed on the excited state decay were observed. They were determined by the vibrational frequency and influenced by electronic-vibrational coupling. In the middle-time interval, almost quasi-exponential decay was detected; its rate constant increased with stronger electronic-vibrational interaction and speed of vibrational relaxation. In the long-time interval, the decay was very slow and, under special conditions, even an asymptotic non-zero excited state population was observed. Its value increased with the strength of the off-diagonal electron-vibrational coupling. Links of the parameters of the model with quantum chemical terms were estimated. 相似文献
47.
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
48.
Jerónimo Rodríguez 《Comptes Rendus Mathematique》2004,339(6):445-450
In the present Note we introduce an extension of the conservative space–time mesh refinement method presented by Fouquet et al. We also propose a post-treatment of the solution that reduces the spurious phenomena due to the non-conformity between the time meshes. A reinterpretation of the equations in terms of new unknowns leads to a new scheme with second order consistent coupling equations. Numerical experiments in 2D and a plane wave analysis for the 1D model show that the method is second order accurate for an arbitrary refinement. To cite this article: J. Rodríguez, C. R. Acad. Sci. Paris, Ser. I 339 (2004). 相似文献
49.
Let {Xk}k?1 be a strictly stationary time series. For a strictly increasing sampling function g:?→? define Yk=Xg(k) as the deterministic sub‐sampled time series. In this paper, the extreme value theory of {Yk} is studied when Xk has representation as a moving average driven by heavy‐tailed innovations. Under mild conditions, convergence results for a sequence of point processes based on {Yk} are proved and extremal properties of the deterministic sub‐sampled time series are derived. In particular, we obtain the limiting distribution of the maximum and the corresponding extremal index. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
50.
Rosa Erra-Balsells 《Journal of heterocyclic chemistry》1987,24(4):1117-1120
The electron impact mass spectrometric fragmentation pathways for several 2-methyl-, 3-methyl-, 2,3-dimethyl-, 2-aryl- and 3-phenylindole derivatives were investigated. An interesting relationship between the substitution pattern in the framework of the indole derivatives and the fragmentation patterns was observed. 相似文献