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101.
102.
Numerical schemes for systems with multiple spatio-temporal scales are investigated. The multiscale schemes use asymptotic results for this type of systems which guarantee the existence of an effective dynamics for some suitably defined modes varying slowly on the largest scales. The multiscale schemes are analyzed in general, then illustrated on a specific example of a moderately large deterministic system displaying chaotic behavior due to Lorenz. Issues like consistency, accuracy, and efficiency are discussed in detail. The role of possible hidden slow variables as well as additional effects arising on the diffusive time-scale are also investigated. As a byproduct we obtain a rather complete characterization of the effective dynamics in Lorenz model. 相似文献
103.
J. Wang J. Kono A. Oiwa H. Munekata C. J. Stanton 《Superlattices and Microstructures》2003,34(3-6):563
We have carried out an ultrafast time-resolved differential reflectivity study of a ferromagnetic semiconductor InGaMnAs and made a systematic comparison with low-temperature grown and high-temperature grown InGaAs reference films. Very short carrier lifetimes (2 ps) were observed in InGaMnAs and the low-temperature grown InGaAs film, but not in the high-temperature grown InGaAs film. We attribute the short lifetimes to carrier trapping by mid-gap states introduced during low-temperature MBE growth. Furthermore, at long times, we observed periodic oscillations in the differential reflectivity signal with period 20 ps, which we interpret as coherent acoustic phonons. 相似文献
104.
溃坝问题的间断有限元方法 总被引:2,自引:0,他引:2
本文研究90年代初提出的Runge-Kutta间断Galerkin有限元方法,给出该方法的精度分析,通过经典算例验证该方法处理间断问题、捕捉锐利波形的能力,并将其推广到求解浅水问题.针对坝底无摩擦,无坡度的理想情形进行讨论,给出方溃坝和圆溃坝问题的数值模拟结果. 相似文献
105.
Silane photoabsorption spectra mear the Si 2p thresholds:the geometry of Si 2p excited SiH4 下载免费PDF全文
Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH_{4}^{**} is recommended to be of a C_{2v} symmetry. More specifically, the Si 2p-excited SiH_{4}^{**} have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0° and 112.5° respectively. 相似文献
106.
An FT-IR study of pyrrole self-association in CCl4 solutions was carried out. According to the IR measurements, pyrrole forms self-associated dimeric species via N-H?π hydrogen bonding. This was also confirmed by quantum chemical calculations for pyrrole monomer and dimer at B3LYP/6-31++G(d,p) level of theory. A T-shaped minimum was located on B3LYP/6-31++G(d,p) PES of pyrrole dimer characterized with a hydrogen bond of an N-H?π type, with centers-of-mass separation of monomeric units of 4.520 Å, H?π distance of 2.475 Å, the interplanar angle between the two monomeric units being 72.9°. The anharmonic vibrational frequency shift upon dimer formation calculated on the basis of 1D DFT vibrational potentials is in excellent agreement with the experimental data (84 vs. 87 cm−1). Harmonic vibrational analysis predicts somewhat smaller shift (68 cm−1). On the basis of NIR spectroscopic data, anharmonicity constants for the 2ν(N-H) and 2ν(N-H?π) vibrational transitions were calculated. The orientational dynamics of monomeric and self-associated pyrrole species was studied within the framework of the transition dipole moment time correlation function formalism. The period of essentially free rotation in the condensed phase reduces from 0.05 ps for the monomeric pyrrole to 0.02 ps for the proton-donor molecule within the dimer. 相似文献
107.
C. Baumgarten B. Braun G. Court G. Ciullo P. Ferretti G. Graw W. Haeberli M. Henoch R. Hertenberger N. Koch H. Kolster P. Lenisa A. Nass S.P. Pod'yachev D. Reggiani K. Rith M.C. Simani E. Steffens J. Stewart T. Wise 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):37-49
The use of storage cells has become a standard technique for internal gas targets in conjunction with high energy storage
rings. In case of spin-polarized hydrogen and deuterium gas targets the interaction of the injected atoms with the walls of
the storage cell can lead to depolarization and recombination. Thus the number of wall collisions of the atoms in the target
gas is important for modeling the processes of spin relaxation and recombination. It is shown in this article that the diffusion
process of rarefied gases in long tubes or storage cells can be described with the help of the one-dimensional diffusion equation.
Mathematical methods are presented that allow one to calculate collision age distributions (CAD) and their moments analytically.
These methods provide a better understanding of the different aspects of diffusion than Monte Carlo calculations. Additionally
it is shown that measurements of the atomic density or polarization of a gas sample taken from the center of the tube allow
one to determine the possible range of the corresponding density weighted average values along the tube. The calculations
are applied to the storage cell geometry of the HERMES internal polarized hydrogen and deuterium gas target.
Received 9 July 2001 and Received in final form 18 September 2001 相似文献
108.
Ricardo L. Mancera Michalis Chalaris Jannis Samios 《Journal of Molecular Liquids》2004,110(1-3):147-153
We have carried out a molecular dynamics study of dimethyl sulfoxide (DMSO) in water at 298 K at two different densities by simulating two different concentrations: 0.055 and 0.19 mole fraction. We have found an enhancement in the structure of water, an effect that becomes more pronounced as the concentration of DMSO increases. At both concentrations there is a well-defined hydration structure around the oxygen atom of DMSO, which is able to establish strong hydrogen bonds with surrounding water molecules. An increase in the concentration of DMSO depletes the solution of bulk water molecules, reducing the number of hydrogen bonds that water can have in the immediate vicinity of DMSO but increasing the strength of the hydrogen bonds made between the oxygen atom of DMSO and water. There is clear evidence of ‘hydrophobic’ hydration around the methyl groups of DMSO, which is enhanced as the concentration of DMSO increases. 相似文献
109.
Heat transfer in lattice BGK modeled fluid 总被引:1,自引:0,他引:1
The thermal lattice BGK model is a recently suggested numerical tool aiming at solving problems of thermohydrodynamics. The quality of the lattice BGK simulation is checked in this paper by calculating temperature profiles in the Couette flow under different Eckert and Mach numbers. A revised lower order model is proposed to improve the accuracy and the higher order model is proved to be advantageous in this respect, especially in the flow regime with a higher Mach number. 相似文献
110.
阐述了紫外无机非线性光学晶体分子工程学探索方法的基本特点,具体分析深紫外无机非线性光学晶体硼铍酸锶(SBBO)以氟硼铍酸钾(KBBF)为主要参考晶体的分子设计方法,随后根据晶体结构研究、单晶培养、和非线性光学性能测定等实验结果讨论SBBO作为新型深紫外无机晶体的主要优点,即它既具有更短的紫外吸收边(接近155nm)和较大的非线性光学系数(d22(SBBO)=06×d22(BBO)=138pm/V),同时晶体无明显层状习性,并肯有良好的化学稳定性和机械性能 相似文献