Statistical-theory of multiphoton excitation of polyatomic-molecules based on the wigner function

This paper is aimed at establishing a statistical theory of rotational and vibrational excitation of polyatomic molecules by an intense IR laser. Starting from the Wigner function of quantum statistical mechanics, we treat the rotational motion in the classical approximation; the vibrational modes are classified into active ones which are coupled directly with the laser and the background modes which are not coupled with the laser. The reduced Wigner function, i.e., the Wigner function integrated over all background coordinates should satisfy an integro-differential equation. We introduce the idea of ``viscous damping'' to handle the interaction between the active modes and the background. The damping coefficient can be calculated with the aid of the well-known Schwartz–Slawsky–Herzfeld theory. The resulting equation is solved by the method of moment equations. There is only one adjustable parameter in our scheme; it is introduced due to the lack of precise knowledge about the molecular potential. The theory developed in this paper explains satisfactorily the recent absorption experiments of SF6 irradiated by a short pulse CO2 laser, which are in sharp contradiction with the prevailing quasi-continuum theory. We also refined the density of energy levels which is responsible for the muliphoton excitation of polyatomic molecules.

The thermal and mechanical structure of a two-dimensional plume in the earths mantle

On the condition that the distribution of velocity and temperature at the mid-plane of a mantle plume has been obtained (pages 213–218, this issue), the problem of determining the lateral structure of the plume at a given depth is reduced to solving an eigenvalue problem of a set of ordinary differential equations with five unknown functions, with an eigenvalue being related to the thermal thickness of the plume at this depth. The lateral profiles of upward velocity, temperature and viscosity in the plume and the thickness of the plume at various depths are calculated for two sets of Newtonian rheological parameters. The calculations show that the precondition for the existence of the plume, δT/L 1 (L = the height of the plume, δT = lateral distance from the mid-plane), can be satisfied, except for the starting region of the plume or near the base of the lithosphere. At the lateral distance, δT, the upward velocity decreases to 0.1 – 50% of its maximum value at different depths. It is believed that this model may provide an approach for a quantitative description of the detailed structure of a mantle plume.

郭永怀文集

Subgrid scale fluid velocity timescales seen by inertial particles in large-eddy simulation of particle-laden turbulence

Large-eddy simulation (LES) has emerged as a promising tool for simulating turbulent flows in general and, in recent years,has also been applied to the particle-laden turbulence with some success (Kassinos et al., 2007). The motion of inertial particles is much more complicated than fluid elements, and therefore, LES of turbulent flow laden with inertial particles encounters new challenges. In the conventional LES, only large-scale eddies are explicitly resolved and the effects of unresolved, small or subgrid scale (SGS) eddies on the large-scale eddies are modeled. The SGS turbulent flow field is not available. The effects of SGS turbulent velocity field on particle motion have been studied by Wang and Squires (1996), Armenio et al. (1999), Yamamoto et al. (2001), Shotorban and Mashayek (2006a,b), Fede and Simonin (2006), Berrouk et al. (2007), Bini and Jones (2008), and Pozorski and Apte (2009), amongst others. One contemporary method to include the effects of SGS eddies on inertial particle motions is to introduce a stochastic differential equation (SDE), that is, a Langevin stochastic equation to model the SGS fluid velocity seen by inertial particles (Fede et al., 2006; Shotorban and Mashayek, 2006a; Shotorban and Mashayek, 2006b; Berrouk et al., 2007; Bini and Jones, 2008; Pozorski and Apte, 2009).However, the accuracy of such a Langevin equation model depends primarily on the prescription of the SGS fluid velocity autocorrelation time seen by an inertial particle or the inertial particle–SGS eddy interaction timescale (denoted by $\delt T_{Lp}$ and a second model constant in the diffusion term which controls the intensity of the random force received by an inertial particle (denoted by C_0, see Eq. (7)). From the theoretical point of view, dTLp differs significantly from the Lagrangian fluid velocity correlation time (Reeks, 1977; Wang and Stock, 1993), and this carries the essential nonlinearity in the statistical modeling of particle motion. dTLp and C0 may depend on the filter width and particle Stokes number even for a given turbulent flow. In previous studies, dTLp is modeled either by the fluid SGS Lagrangian timescale (Fede et al., 2006; Shotorban and Mashayek, 2006b; Pozorski and Apte, 2009; Bini and Jones, 2008) or by a simple extension of the timescale obtained from the full flow field (Berrouk et al., 2007). In this work, we shall study the subtle and on-monotonic dependence of $\delt T_{Lp}$ on the filter width and particle Stokes number using a flow field obtained from Direct Numerical Simulation (DNS). We then propose an empirical closure model for $\delta T_{Lp}$. Finally, the model is validated against LES of particle-laden turbulence in predicting single-particle statistics such as particle kinetic energy. As a first step, we consider the particle motion under the one-way coupling assumption in isotropic turbulent flow and neglect the gravitational settling effect. The one-way coupling assumption is only valid for low particle mass loading.

Topology of toroidal helical fields in non-circular cross-sectional tokamaks

The ordinary differential magnetic field line equations are solved numerically; the tokamak magnetic structure is studied on Hefei Tokamak-7 Upgrade (HT-7U) when the equilibrium field with a monotonic q-profile is perturbed by a helical magnetic field. We find that a single mode (m, n) helical perturbation can cause the formation of islands on rational surfaces with q = m/n and q = (m +/- 1, +/- 2, +/- 3,...)/n due to the toroidicity and plasma shape (i.e. elongation and triangularity), while there are many undestroyed magnetic surfaces called Kolmogorov-Arnold-Moser (KAM) barriers on irrational surfaces. The islands on the same rational surface do not have the same size. When the ratio between the perturbing magnetic field B-r(r) and the toroidal magnetic field amplitude B(phi)0 is large enough, the magnetic island chains on different rational surfaces will overlap and chaotic orbits appear in the overlapping area, and the magnetic field becomes stochastic. It is remarkable that the stochastic layer appears first in the plasma edge region.

Hybrid numerical methods for exponential models of growth

A series of novel numerical methods for the exponential models of growth are proposed. Based on these methods, hybrid predictor-corrector methods are constructed. The hybrid numerical methods can increase the accuracy and the computing speed obviously, as well as enlarge the stability domain greatly. (c) 2005 Published by Elsevier Inc.

Modelica软件中微分代数方程指标约简算法分析

Modelica建模软件会产生高指标的微分代数方程(DAE),因为现有数值求解器一般不能直接对高指标DAE进行求解,所以Modelica建模软件必须对高指标DAE进行指标约简。为提高Modelica建模软件性能,针对现有指标约简算法,展开了理论分析和实验比较,着重对负权二部图算法进行了详细分析,并给出了负权二部图算法的时间复杂度。理论分析和实验结果表明,负权二部图算法相对Pantelides算法有较好的性能,因此可以考虑在Modelica建模软件中使用负权二部图算法来提高性能。

A Unified Tensor Level Set for Image Segmentation

This paper presents a new region-based unified tensor level set model for image segmentation. This model introduces a three-order tensor to comprehensively depict features of pixels, e.g., gray value and the local geometrical features, such as orientation and gradient, and then, by defining a weighted distance, we generalized the representative region-based level set method from scalar to tensor. The proposed model has four main advantages compared with the traditional representative method as follows. First, involving the Gaussian filter bank, the model is robust against noise, particularly the salt-and pepper-type noise. Second, considering the local geometrical features, e. g., orientation and gradient, the model pays more attention to boundaries and makes the evolving curve stop more easily at the boundary location. Third, due to the unified tensor pixel representation representing the pixels, the model segments images more accurately and naturally. Fourth, based on a weighted distance definition, the model possesses the capacity to cope with data varying from scalar to vector, then to high-order tensor. We apply the proposed method to synthetic, medical, and natural images, and the result suggests that the proposed method is superior to the available representative region-based level set method.

A Relay Level Set Method for Automatic Image Segmentation

This paper presents a new image segmentation method that applies an edge-based level set method in a relay fashion. The proposed method segments an image in a series of nested subregions that are automatically created by shrinking the stabilized curves in their previous subregions. The final result is obtained by combining all boundaries detected in these subregions. The proposed method has the following three advantages: 1) It can be automatically executed without human-computer interactions; 2) it applies the edge-based level set method with relay fashion to detect all boundaries; and 3) it automatically obtains a full segmentation without specifying the number of relays in advance. The comparison experiments illustrate that the proposed method performs better than the representative level set methods, and it can obtain similar or better results compared with other popular segmentation algorithms.

便携式移动机器人姿态解算方法

本文根据便携式移动机器人的特点,采用四元数法解算机器人导航系统的姿态,避免了在机器人运动角度较大时出现奇异点的问题。文中应用改进的四阶龙格-库塔算法解算四元数微分方程,经仿真实验,精度完全能够达到要求。给出了合理的变换公式,在机器人运动范围内,满足了四元数与欧拉角之间转换的一一对应。

基于SVD和能量最小原则的图像自适应降噪算法

基于奇异值分解和能量最小原则,提出了一种自适应图像降噪算法,并给出了基于有界变差的能量降噪模型的代数形式。通过在矩阵范数意义下求能量最小,自适应确定去噪图像重构的奇异值个数。该算法的特点是将能量最小法则和奇异值分解结合起来,在代数空间中建立了一种自适应的图像降噪算法。与基于压缩比和奇异值分解的降噪方法相比,由于该算法避免了图像压缩比函数及其拐点的计算,因此具有快速去噪和简单可行的优点。实验结果证明,该算法是有效的。

软土亚塑性模型与一维非线性固结理论研究

With the great development of Tianjing New Coastal District economy, people need more land to build and live. Land subsidence, which is caused by its special engineering geological conditions, has restricted the further development in the district. Soft soil consolidation is main factor of land subsidence ;thus , on the basis of consolidation theory, the paper make further study on soft soils one-dimension nonlinear consolidation which contains two parts:(1) the nonlinear consolidation of permeability coefficient and compressibility coefficient changing with time and depth, which means real one-dimension nonlinear consolidation;(2) the non-homogeneous consolidation of permeability coefficient and compressibility coefficient only changing with depth. Firstly, nonlinear characteristics of soft soils are elaborated. Hypoplastic theory is introduced to establish a modified soft soils nonlinear constitutive model; the nonlinear governing equation of compressibility coefficient is built, and the nonlinear characteristics of compressibility coefficient are analyzed. Secondly, Considering Load Fluctuation and soil thickness changing ,the consolidation characteristics of single layer is discussed in the paper; meanwhile, on the basis of the Davis and Raymond’s hypothesis and single layer nonlinear consolidation equation, the doubled-layer one-dimension nonlinear consolidation equation is also derived. The solution of the equation is obtained by analytical method, and the consolidation characteristics of doubled-layer soft soil nonlinear theory is also analyzed. Finally, based on assumption that permeability coefficient and compressibility coefficient is varying along depth, single layer soil one-dimension non-homogeneous consolidation differential equation is derived; and the approximate solution is obtained. Furthermore, the single layer non-homogeneous consolidation is extended to double layer non-homogeneous consolidation theory. By using parabolic differential scheme, the matrix equation is established; and the solution of the matrix equation is obtained by chase method. Consolidation characteristics of soil soft single (double) layer non-homogeneous consolidation theory and Terzaghi’s theory are also discussed.

地震波场延拓+菲涅尔体叠加方法及成像效果

In the increasingly enlarged exploration target, deep target layer(especially for the reservoir of lava) is a potential exploration area. As well known, the reflective energy becomes weak because the seismic signals of reflection in deep layer are absorbed and attenuate by upper layer. Caustics and multi-values traveltime in wavefield are aroused by the complexity of stratum. The ratio of signal to noise is not high and the fold numbers are finite(no more than 30). All the factors above affect the validity of conventional processing methods. So the high S/N section of stack can't always be got with the conventional stack methods even if the prestack depth migration is used. So it is inevitable to develop another kind of stack method instead. In the last a few years, the differential solution of wave equation was hold up by the condition of computation. Kirchhoff integral method rose in the initial stages of the ninetieth decade of last century. But there exist severe problems in it, which is are too difficult to resolve, so new method of stack is required for the oil and gas exploration. It is natural to think about upgrading the traditionally physic base of seismic exploration methods and improving those widely used techniques of stack. On the other hand, great progress is depended on the improvement in the wave differential equation prestack depth migration. The algorithm of wavefield continuation in it is utilized. In combination with the wavefield extrapolation and the Fresnel zone stack, new stack method is carried out It is well known that the seismic wavefield observed on surface comes from Fresnel zone physically, and doesn't comes from the same reflection points only. As to the more complex reflection in deep layer, it is difficult to describe the relationship between the reflective interface and the travel time. Extrapolation is used to eliminate caustic and simplify the expression of travel time. So the image quality is enhanced by Fresnel zone stack in target. Based on wave equation, high-frequency ray solution and its character are given to clarify theoretical foundation of the method. The hyperbolic and parabolic travel time of the reflection in layer media are presented in expression of matrix with paraxial ray theory. Because the reflective wave field mainly comes from the Fresnel Zone, thereby the conception of Fresnel Zone is explained. The matrix expression of Fresnel zone and projected Fresnel zone are given in sequence. With geometrical optics, the relationship between object point in model and image point in image space is built for the complex subsurface. The travel time formula of reflective point in the nonuniform media is deduced. Also the formula of reflective segment of zero-offset and nonzero offset section is provided. For convenient application, the interface model of subsurface and curve surface derived from conventional stacks DMO stack and prestack depth migration are analyzed, and the problem of these methods was pointed out in aspects of using data. Arc was put forward to describe the subsurface, thereby the amount of data to stack enlarged in Fresnel Zone. Based on the formula of hyperbolic travel time, the steps of implementation and the flow of Fresnel Zone stack were provided. The computation of three model data shows that the method of Fresnel Zone stack can enhance the signal energy and the ratio of signal to noise effectively. Practical data in Xui Jia Wei Zhi, a area in Daqing oilfield, was processed with this method. The processing results showed that the ability in increasing S/N ratio and enhancing the continuity of weak events as well as confirming the deep configuration of volcanic reservoir is better than others. In deeper target layer, there exists caustic caused by the complex media overburden and the great variation of velocity. Travel time of reflection can't be exactly described by the formula of travel time. Extrapolation is bring forward to resolve the questions above. With the combination of the phase operator and differential operator, extrapolating operator adaptable to the variation of lateral velocity is provided. With this method, seismic records were extrapolated from surface to any different deptlis below. Wave aberration and caustic caused by the inhomogenous layer overburden were eliminated and multi-value curve was transformed into the curve.of single value. The computation of Marmousi shows that it is feasible. Wave field continuation extends the Fresnel Zone stack's application.

Quantum master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices

In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master equation with the well-known time-dependent density functional theory. The key ingredients of this paper include (i) the partitioning-free initial condition and the consideration of the time-dependent bias voltages which base our treatment on the Runge-Gross existence theorem; (ii) the non-Markovian master equation for the reduced (many-body) central system (i.e., the device); and (iii) the construction of Kohn-Sham master equations for the reduced single-particle density matrix, where a number of auxiliary functions are introduced and their equations of motion (EOMs) are established based on the technique of spectral decomposition. As a result, starting with a well-defined initial state, the time-dependent transport current can be calculated simultaneously along with the propagation of the Kohn-Sham master equation and the EOMs of the auxiliary functions.

Negative differential resistance and the transition to current self-oscillation in GaAs/AlAs superlattices

We investigate the transition from static to dynamic electric field domains (EFDs) in a doped GaAs/AlAs superlattice (SL). We show that a transverse magnetic field and/or the temperature can induce current self-oscillations. This observation can be attributed to the negative differential resistance (NDR) effect. Transverse magnetic field and the temperature can increase the NDR of a doped SL. A large NDR can lead to an unstable EFD in a certain range of d.c. bias. (C) 1999 Elsevier Science Ltd. All rights reserved.