A Multi－Square－Well Potential Model and Its Application in Calculating the Second Virial Coefficient

ＡＭｕｌｔｉ－Ｓｑｕａｒｅ－ＷｅｌｌＰｏｔｅｎｔｉａｌＭｏｄｅｌａｎｄＩｔｓＡｐｐｌｉｃａｔｉｏｎｉｎＣａｌｃｕｌａｔｉｎｇｔｈｅＳｅｃｏｎｄＶｉｒｉａｌＣｏｅｆｆｉｃｉｅｎｔ￥（苏志军）（严家）（曾向东）（尚德敏）ＳＵＺｈｉｊｕｎ；ＹＡＮＪｉａｌｕ...

Soliton dynamical properties of Bose Einstein condensates trapped in a double square well potential

We first present an analytical solution of the single and double solitions of Bose-Einstein condensates trapped in a double square well potential using the multiple-scale method. Then, we show by numerical calculation that a dark soliton can be transmitted through the square well potential. With increasing depth of the square well potential, the amplitude of the dark soliton becomes larger, and the soliton propagates faster. In particular, we treat the collision behaviour of the condensates trapped in either equal or different depths of the double square well potential. If we regard the double square well potential as the output source of the solitons, the collision locations （position and time） between two dark solitons can be controlled by its depth.

Heat, Resolvent and Wave Kernels with Multiple Inverse Square Potential on the Euclidian Space Rⁿ

In this paper, the heat, resolvent and wave kernels associated to the Schr?dinger operator with multi-inverse square potential on the Euclidian space Rn are given in explicit forms.

Spatio-Temporal Distribution of Individual Filaments in a Square Superlattice Pattern in Atmospheric Dielectric Barrier Discharge

Spatio-temporal distribution of individual filament in a square superlattice pattern, which consists of large and small spots （filaments）, is studied in atmospheric dielectric barrier discharges. The spatial distributions of the two discharges for individual large filament along the direction perpendicular to the electrode are estimated by the distributions of light signals along the electrode. It is found that the discharge at the rising edge of the applied voltage is with a wider column, weaker current, and longer current pulse duration in comparison with that at the falling edge

Comparative Analysis of Equal and Unequal Grounding Grid Configurations by Compression Ratio and Least Square Curve Fitting Techniques

The primary aim of the power system grounding is to safeguard the person and satisfying the performance of the power systemtomaintain reliable operation.With equal conductor spacing grounding grid design,the distribution of the current in the grid is not uniform.Hence,unequal grid conductor span in which grid conductors are concentrated more at the periphery is safer to practice than equal spacing.This paper presents the comparative analysis of two novel techniques that create unequal spacing among the grid conductors:the least-square curve fitting technique and the compression ratio techniquewith equal grid configuration for both square and rectangular grids.Particle Swarm Optimization(PSO)is adopted for finding out one optimal feasible solution among many feasible solutions of equal grid configuration for both square and rectangular grids.Comparative analysis is also carried out between square and rectangular grids using the least square curve fitting technique as it results in only one unequal grid configuration.Simulation results are obtained by theMATLAB software developed.Percentage of improvement in ground potential rise,step voltage,touch voltage,and grid resistancewith variation in compression ratios are plotted.

Theoretical Research on Scattering Resonance States of Reaction I＋HI（v=O）→IH（v＇=0）＋I： Partial Potential Energy Surface and One-dimensional Quantum Reactive Scattering Calculation

Based on the vibrational potential curves coupled with the minimum energy reaction path, the partial potential energy surface of the reaction I＋HI→IH＋I was constructed at the QCISD（T）//MP4SDQ level with pseudo potential method. And the formation mechanism of the scattering resonance states of this reaction was well interpreted with the partial potential energy surface. The scattering resonance states of this reaction should belong to Feshbach resonance because of the coupling of the vibrational mode and the translational mode. With the one-dimensional square potential well model, the resonance width and lifetime of the I＋HI（v=0）→IH（v＇=0）＋I state-to-state reaction were calculated, which preferably explained the high-resolved threshold photodetachment spectroscopy of the IHI- anion performed by Neumark et al..

Vander Waals势能问题不变积分保持算法研究

采用速度因子方法以及最小二乘法速度因子改正方法,用于稳定范德瓦尔斯势能问题中两孤立积分的数值误差.庞加莱截面分析表明,两种方法都能保持较高的数值稳定性,提高数值结果精度.相比较而言,最小二乘法速度因子改正方法的效果更为明显.另外,对两个积分同时稳定的流形改正方案不适用于含有对称形式的孤立积分.

An improved boundary element-free method (IBEFM) for two-dimensional potential problems

The interpolating moving least-squares （IMLS） method is discussed first in this paper. And the formulae of the IMLS method obtained by Lancaster are revised. Then on the basis of the boundary element-free method （BEFM）, combining the boundary integral equation （BIE） method with the IMLS method, the improved boundary element-free method （IBEFM） for two-dimensional potential problems is presented, and the corresponding formulae of the IBEFM are obtained. In the BEFM, boundary conditions are applied directly, but the shape function in the MLS does not satisfy the property of the Kronecker ~ function. This is a problem of the BEFM, and must be solved theoretically. In the IMLS method, when the shape function satisfies the property of the Kronecker 5 function, then the boundary conditions, in the meshless method based on the IMLS method, can be applied directly. Then the IBEFM, based on the IMLS method, is a direct meshless boundary integral equation method in which the basic unknown quantity is the real solution of the nodal variables, and the boundary conditions can be applied directly and easily, thus it gives a greater computational precision. Some numerical examples are presented to demonstrate the method.

An improved interpolating element-free Galerkin method with a nonsingular weight function for two-dimensional potential problems

In this paper, an improved interpolating moving least-square （IIMLS） method is presented. The shape function of the IIMLS method satisfies the property of the Kronecker 5 function. The weight function used in the IIMLS method is nonsingular. Then the IIMLS method can overcome the difficulties caused by the singularity of the weight function in the IMLS method. The number of unknown coefficients in the trial function of the IIMLS method is less than that of the moving least-square （MLS） approximation. Then by combining the IIMLS method with the Galerkin weak form of the potential problem, the improved interpolating element-free Galerkin （IIEFG） method for two-dimensional potential problems is presented. Compared with the conventional element-free Galerkin （EFG） method, the IIEFG method can directly use the essential boundary conditions. Then the IIEFG method has higher accuracy. For demonstration, three numerical examples are solved using the IIEFG method.

A new complex variable element-free Galerkin method for two-dimensional potential problems

In this paper, based on the element-free Galerkin （EFG） method and the improved complex variable moving least- square （ICVMLS） approximation, a new meshless method, which is the improved complex variable element-free Galerkin （ICVEFG） method for two-dimensional potential problems, is presented. In the method, the integral weak form of control equations is employed, and the Lagrange multiplier is used to apply the essential boundary conditions. Then the corresponding formulas of the ICVEFG method for two-dimensional potential problems are obtained. Compared with the complex variable moving least-square （CVMLS） approximation proposed by Cheng, the functional in the ICVMLS approximation has an explicit physical meaning. Furthermore, the ICVEFG method has greater computational precision and efficiency. Three numerical examples are given to show the validity of the proposed method.

The dimension split element-free Galerkin method for three-dimensional potential problems

This paper presents the dimension split element-free Galerkin （DSEFG） method for three-dimensional potential problems, and the corresponding formulae are obtained. The main idea of the DSEFG method is that a three-dimensional potential problem can be transformed into a series of two-dimensional problems. For these two-dimensional problems, the improved moving least-squares （IMLS） approximation is applied to construct the shape function, which uses an orthogonal function system with a weight function as the basis functions. The Galerkin weak form is applied to obtain a discretized system equation, and the penalty method is employed to impose the essential boundary condition. The finite difference method is selected in the splitting direction. For the purposes of demonstration, some selected numerical examples are solved using the DSEFG method. The convergence study and error analysis of the DSEFG method are presented. The numerical examples show that the DSEFG method has greater computational precision and computational efficiency than the IEFG method.

The complex variable meshless local Petrov-Galerkin method of solving two-dimensional potential problems

Based on the complex variable moving least-square（CVMLS） approximation and a local symmetric weak form,the complex variable meshless local Petrov-Galerkin（CVMLPG） method of solving two-dimensional potential problems is presented in this paper.In the present formulation,the trial function of a two-dimensional problem is formed with a one-dimensional basis function.The number of unknown coefficients in the trial function of the CVMLS approximation is less than that in the trial function of the moving least-square（MLS） approximation.The essential boundary conditions are imposed by the penalty method.The main advantage of this approach over the conventional meshless local Petrov-Galerkin（MLPG） method is its computational efficiency.Several numerical examples are presented to illustrate the implementation and performance of the present CVMLPG method.

Discrete breathers in a model with Morse potentials

Under harmonic approximation, this paper discusses the linear dispersion relation of the one-dimensional chain. The existence and evolution of discrete breathers in a general one-dimensional chain are analysed for two particular examples of soft （Morse） and hard （quartic） on-site potentials. The existence of discrete breathers in one-dimensional and two-dimensional Morse lattices is proved by using rotating wave approximation, local anharmonic approximation and a numerical method. The localization and amplitude of discrete breathers in the two-dimensional Morse lattice with on-site harmonic potentials correlate closely to the Morse parameter a and the on-site parameter к.

Oblique Wave Trapping by a Surface-Piercing Flexible Porous Barrier in the Presence of Step-Type Bottoms

The present study deals with the oblique wave trapping by a surface-piercing flexible porous barrier near a rigid wall in the presence of step-type bottoms under the assumptions of small amplitude water waves and the structural response theory in finite water depth.The modified mild-slope equation along with suitable jump conditions and the least squares approximation method are used to handle the mathematical boundary value problem.Four types of edge conditions,i.e.,clamped-moored,clamped-free,moored-free,and moored-moored,are considered to keep the barrier at a desired position of interest.The role of the flexible porous barrier is studied by analyzing the reflection coefficient,surface elevation,and wave forces on the barrier and the rigid wall.The effects of step-type bottoms,incidence angle,barrier length,structural rigidity,porosity,and mooring angle are discussed.The study reveals that in the presence of a step bottom,full reflection can be found periodically with an increase in(i)wave number and(ii)distance between the barrier and the rigid wall.Moreover,nearly zero reflection can be found with a suitable combination of wave and structural parameters,which is desirable for creating a calm region near a rigid wall in the presence of a step bottom.

A full-dimensional analytical potential energy surface for the F+CH_4→HF+CH_3 reaction

A full-dimensional analytical potential energy surface （APES） for the F ＋ CH4 →HF ＋ CH3 reaction is developed based on 7127 ab initio energy points at the unrestricted coupled-cluster with single, double, and perturbative triple excitations. The correlation-consistent polarized triple-split valence basis set is used. The APES is represented with a many-body expansion containing 239 parameters determined by the least square fitting method. The two-body terms of the APES are fitted by potential energy curves with multi-reference configuration interaction, which can describe the diatomic molecules （CH, H2, HF, and CF） accurately. It is found that the APES can reproduce the geometry and vibrational frequencies of the saddle point better than those available in the literature. The rate constants based on the present APES support the experimental results of Moore et al. [Int. J. Chem. Kin. 26, 813 （1994）]. The analytical first-order derivation of energy is also provided, making the present APES convenient and efficient for investigating the title reaction with quasiclassical trajectory calculations.

Element Free Gelerkin Method for 2-D Potential Problems

A meshfree method namely, element free Gelerkin (EFG) method, is presented in this paper for the solution of governing equations of 2-D potential problems. The EFG method is a numerical method which uses nodal points in order to discretize the computational domain, but where the use of connectivity is absent. The unknowns in the problems are approximated by means of connectivity-free technique known as moving least squares (MLS) approximation. The effect of irregular distribution of nodal points on the accuracy of the EFG method is the main goal of this paper as a complement to the precedent researches investigated by proposing an irregularity index (II) in order to analyze some 2-D benchmark examples and the results of sensitivity analysis on the parameters of the method are presented.

An Algorithm for Hybrid Nodes Barrier Coverage Based on Voronoi in Wireless Sensor Networks

In order to make up for the deficiencies and insufficiencies that In order to make up for the deficiencies and insufficiencies that wireless sensor network is constituted absolutely by static or dynamic sensor nodes. So a deployment mechanism for hybrid nodes barrier coverage (HNBC)is proposed in wireless sensor network, which collaboratively consists of static and dynamic sensor nodes. We introduced the Voronoi diagram to divide the whole deployment area. According to the principle of least square method, and the static nodes are used to construct the reference barrier line (RBL). And we implemented effectively barrier coverage by monitoring whether there is a coverage hole in the deployment area, and then to determine whether dynamic nodes need limited mobility to redeploy the monitoring area. The simulation results show that the proposed algorithm improved the coverage quality, and completed the barrier coverage with less node moving distance and lower energy consumption, and achieved the expected coverage requirements

不同方波脉冲模式下介质阻挡放电产生臭氧的研究

为提高介质阻挡放电产生臭氧的浓度和产量,文中研究了不同方波脉冲模式下介质阻挡放电产生臭氧的特性。文中对系统放电特性进行分析,计算系统放电功率,研究其在不同极性、不同频率和不同脉宽下产生臭氧的浓度和产量,并对其产生的结果进行了分析和讨论。研究结果表明,在施加正负极性方波脉冲时,臭氧浓度最高,为8.8 g·Nm^(-3);在施加正极性方波脉冲时,臭氧产量最高,为55 g·kWh^(-1)。随着频率的增加,臭氧浓度和产量均呈现先增加后下降趋势。在放电频率为1 kHz时,臭氧浓度最大;在放电频率为1.5 kHz时,臭氧产量最高。在其它参数一定的情况下,随着脉宽的增加,臭氧浓度缓慢增加,臭氧的产量基本无变化。

一维三方势垒量子隧穿特性的研究

本文通过严格求解定态薛定谔方程,研究了一维对称三方势垒的量子隧穿特性,解析地给出透射系数的精确表达式,并且数值模拟了势垒高度、势垒间距以及粒子入射能量对透射系数的影响.结果表明:当取不同的势垒宽度,或者不同的粒子入射能量时,透射系数随着势垒间距的增加而呈现出明显的周期式振荡.将一维对称双方势垒和三方势垒进行比较,透射系数随着势垒间距的增大,均呈现周期性振荡,并且振荡周期相同,但三方势垒振荡更剧烈,振幅越大,并且三方对称势垒是双峰曲线,而双方对称势垒是单峰曲线.该特性为设计新型纳米器件以及共振隧穿量子器件等提供理论指导.