数值摄动算法及其CFD格式

数值摄动算法将流体动力学效应耦合进NS方程组和对流扩散(CD)方程离散的数学基本格式(MBS),特别是耦合进最简单的一阶迎风和二阶中心格式之中,由此构建成一系列新的摄动格式(PS).构建PS的主要步骤是将MBS中的通量重构为步长的幂级数,利用空间分裂和导出的高阶流体动力学线性关系式,并引入下游不影响上游的对流运动规律,通过消除重构格式修正微分方程的截断误差诸项求出幂级数的待定系数,由此获得非线性PS.PS的项是MBS中对应项与R△x(及λR△x)之简单多项式的乘积,R△x和λ分别是网格Reynolds数和网格CFL数.PS和MBS使用相同结点,简单性彼此相当,但PS精度高,稳定范围大,例如PS包含了许多绝对稳定高阶迎风和中心有限差分(FD)格式和绝对正型有限体积(FV)格式,这些格式对网格Reynolds数的任意值均为不振荡格式.数值摄动算法因此是构建高精度不振荡CFD格式的新方法.PS用于计算不可压缩流,可压缩流,液滴萃取传质,微通道两相流等,均获得良好数值结果或与已有Benchmark解一致的数值结果.已有文献称数值摄动算法为新型高精度方法和高算法,文中也讨论了一些值得进一步研究的课题

对流扩散方程的三阶迎风格式的数值摄动高精度重构

利用高智提出的数值摄动算法,把求解对流扩散方程常用三阶迎风格式(3-UDS)(粘性项和对流项分别用二阶中心格式和3-UDS离散)进行了高精度重构,包括使用离散单元内所有节点的全域重构和分别使用上下游节点的上下游重构,得到两类新的更高阶精度迎风差分格式,称为高的迎风差分格式(记作GUDS)。讨论了GUDS的数学性质,GUDS比原来的3-UDS精度显著提高;全域重构的GUDS和3-UDS均为条件稳定,一些上下游重构GUDS为绝对稳定。本文通过稳定性分析和四个算例(一维常系数、变系数、非线性及二维变系数对流扩散方程)的计算证实了GUDS的优良性质。上下游重构GUDS为避免在3-UDS中使用人工粘性提供了一条有效途径,适合于求解高Reynolds数线性和非线性问题。

Initiation and development of water film by seepage

When water seeps upwards through a saturated soil layer, the soil layer may become instability and water films occur and develop. Water film serves as a natural sliding surface because of its very small friction. Accordingly, debris flow may happen. To investigate this phenomenon, a pseudo-three-phase media is presented first. Then discontinuity method is used to analyze the expansion velocity of water film. Finally, perturbation method is used to analyze the case that a water flow is forced to seep upwards through the soil layer while the movement of the skeleton may be neglected relative to that of water. The theoretical evolutions of pore pressure gradient, effective stress, water velocity, the porosity and the eroded fine grains are obtained. It can be seen clearly that with the erosion and re-deposited of fine grains, permeability at some positions in the soil layer becomes smaller and smaller and, the pore pressure gradient becomes bigger and bigger, while the effective stress becomes smaller and smaller. When the effective stress equals zero, e.f. liquefaction, the water film occurs. It is shown also that once a water film occurs, it will be expanded in a speed of (U)(t)/(1 - E >).

Dynamics of Vortex-Wave under a Travelling-Wave Modulation

The mecha nism of destabilization is studied for the rotating vortices (scroll waves and spiral waves) in excitable media induced by a parameter modulation in the form of a travelling-wave. It is found that a rigid rotating spiral in the two-dimensional (2D) system undergoes asynchronized drift along a straightline, and a 3D scrolling with its filament closed into a circle can be reoriented only if the direction of wavenumber of a travelling-wave perturbation is parallel to the ring plane. Then, in order to describe the behaviour of the synchronized drift of spiral wave and the reorientation of scrollring, the approximate formulas are given to exhibit qualitative agreements with the observed results.

Delta-resonance effective mass in medium

Based on the relativistic chiral effective field theory, we study the effective mass of the Delta-resonance in medium by investigating the self-energy of the Delta-resonance related to the pi N decay channel in symmetric nuclear matter. We find that the effective mass of Delta-resonance decreases evidently with increasing nuclear density rho. In our calculation, we also consider the influence of the shifts of the nucleon mass, pion mass and its decay constant due to the restoration of chiral symmetry in medium. The results are roughly consistent with the data given by Lawrence Berkeley National Laboratory.

Gravitational corrections to energy-levels of a hydrogen atom

The first-order perturbations of the energy levels of a hydrogen atom in central internal gravitational field are investigated. The internal gravitational field is produced by the mass of the atomic nucleus. The energy shifts are calculated for the relativistic 1S, 2S, 2P, 3S, 3P, 3D, 4S, and 4P levels with Schwarzschild metric. The calculated results show that the gravitational corrections are sensitive to the total angular momentum quantum number.

Solitary magnon excitations in a one-dimensional antiferromagnet with Dzyaloshinsky-Moriya interactions

We investigate solitary excitations in a model of a one-dimensional antiferromagnet including a single-ion anisotropy and a Dzyaloshinsky-Moriya antisymmetric exchange interaction term. We employ the Holstein-Primakoff transformation, the coherent state ansatz and the time variational principle. We obtain two partial differential equations of motion by using the method of multiple scales and applying perturbation theory. By so doing, we show that the motion of the coherent amplitude must satisfy the nonlinear Schrodinger equation. We give the single-soliton solution.

Study of the capacitance coupling in accelerators

The relation between the input impedance and the characteristic parameters of a cavity, such as the resonance frequency, shunt impedance and. the quality factor, has been obtained based on the equivalent circuit of the cavity and the coupling system. Using the matching condition, the ratio of coupling capacitance to the equivalent capacitance of the cavity can be acquired as a function of the characteristic parameters of the cavity, the value of the coupling capacitance can be obtained with a help of a numerical simulation and the perturbation theory, and then the perfect matching between the cavity and the transmission line can be procured. The application of these results on a model cavity is presented too.

Observed charmed hadron Lambda(c)(2940)(+) and the D* N interaction

In this work, we systematically study the interaction of D* and nucleon, which is stimulated by the observation of Lambda(c)(2940)(+) close to the threshold of D* p. Our numerical result obtained by the dynamical investigation indicates the existence of the D* N systems with J(P) = 1/2(+/-), 3/2(+/-), which not only provides valuable information to understand the underlying structure of Lambda(c)(2940)(+) but also improves our knowledge of the interaction of D* and nucleon. Additionally, the bottom partners of the D* N systems are predicted, which might be as one of the tasks in LHCb experiment.

Understanding the branching ratios of chi(c1) -> phi phi,omega omega,omega phi observed at BES-III

In this work, we discuss the contribution of the mesonic loops to the decay rates of chi(c1) -> phi phi, omega omega, which are suppressed by the helicity selection rules and chi(c1) -> phi omega, which is a double- Okubo- ZweigIizuka forbidden process. We find that the mesonic loop effects naturally explain the clear signals of chi(c1) -> phi phi, omega omega decay modes observed by the BES Collaboration. Moreover, we investigate the effects of the omega - phi mixing, which may result in the order of magnitude of the branching ratio BR(chi(c1) -> omega phi) being 10(-7). Thus, we are waiting for the accurate measurements of the BR(chi(c1) -> omega omega), BR(chi(c1) -> phi phi) and BR(chi(c1) -> omega phi) which may be very helpful for testing the long- distant contribution and the omega - phi mixing in chi(c1) -> phi phi, omega omega, omega phi decays.

Microscopic examination of NpNn dominance in the evolution of nuclear structure

The proton-neutron interaction in determining the evolution of nuclear structure has been studied by using the Brillouin-Wigner perturbation expansion. The particle-hole and particle-particle p-n interactions are unifiedly described in the theory. The obtained formulas of level energies and excitation energies scaled in the small- and large-NpNn limits can well explain the linearity of the extracted proton-neutron interaction energies and the attenuation of the 2(1)(+) excitation energies against the valence nucleon product NpNn for five mass regions from A = 100-200.

A mixing scheme for the structure of f(0)(600) and f(0)(1370)

Within the framework of a nonlinear chiral Lagrangian we explore the nontrivial nature of f(0)(600) and f(0)(1370) in terms of quarkonium, tetraquark and gluonium components. The mass constraints are obtained and the strong and radiative partial widths are calculated to demonstrate and discriminate these components. The static properties of f(0)(1500) and glueball are also studied. Our results are confronted with the experimental and theoretical data available as well as the upcoming measurements. (C) 2010 Elsevier B.V. All rights reserved.

Computational study on the addition of HCN to methanimine catalyzed by formamidine and formamide

In this paper, we have carried out a theoretical study on the addition of HCN to methanimine with formamidine or formamide using second-order Moller-Plesset perturbation (MP2) method with 6-31 + G(d,p) basis sets. At MP2 level. a high-energy, intermediate has been located for each pathway. The addition of HCN to methanimine with formamidine has the lowest free energy barrier according to the calculations at MP2 level. (C) 2004 Elsevier B.V. All rights reserved.

Golden-rule treatment on the ClO/ClO+ electron-transfer system

The structures, properties and electron transfer reactivity of the ClO/ClO+ coupling system are studied in this paper at ab initio (HF and MP2) levels and the density functional theory (DFT: B3LYP, B3P86, B3PW91) levels employing 6311 + G(3df) basis set and on the basis of the golden-rule of the time-dependent perturbation theory. Investigations indicate that the results got from the B3LYP method employing 6-311 + G(3df) basis set is in excellent agreement with the experiment. The activation energies, the stabilization energies and the electronic coupling matrix elements have also been calculated by using the B3LYP/6-311 + G(3df) method, and then the electron transfer rates are determined at this level. The electronic coupling matrix element of EC.6 is very small, only 0.03 kcal/mol, while that of EC.7 is the biggest, being 12.41 kcal/mol, the corresponding electron transfer rate is also the fastest among these seven encounter complexes. The averaged electron transfer rate is about 1.672 X 10(11) M-1 s(-1). It is indicated that the structures optimized by B3LYP method are more reliable than the results got from the other four methods. It also testified that the electronic coupling matrix element is the vital factor that significantly affects the electron transfer rate. (C) 2003 Elsevier B.V. All rights reserved.

Theoretical study on the ClO/ClO- system electron-transfer reactivity by the golden-rule

The structures, properties and electron transfer reactivity of the ClO/ClO- coupling system are studied in this paper at ab initio (UHF and UMP2) levels and the Density Functional Theory (DFT: UB3LYP, UB3P86, UB3PW91) levels employing 6311 + G(3df) basis set and on the basis of the Golden-rule of the time-dependent perturbation theory. Investigations indicate that the results obtained using the UB3LYP method employing 6-311 + G(3df) basis set is in excellent agreement with the experiment. For this coupling system, six stable coupling modes have been found which correspond to six different encounter complexes and denote six different electron transfer mechanism: four O-O directly linked structures (one collinear: D-h, one anti-parallel: C-s, two twist: C-2) and two Cl-O linked structures (cis- and anti- C-s structures). The activation energies, the stabilization energies and the electronic coupling matrix elements have also been calculated for the electron transfer reactions via these six different mechanism at the UB3LYP/6-311 + G(3df) level, and then the electron transfer rates are determined at the same level. The most favorable coupling mode to the electron transfer is the anti-parallel mechanism. The averaged electron transfer rate is about 5.58 X 10(11) M-1 s(-1). It is also implied that the B3LYP method can give more reasonable results for the electron transfer reactivity of this system. (C) 2003 Elsevier B.V. All rights reserved.