高能激光大气传输非线性问题的数值计算

对高能激光大气传输非线性问题的数值模拟进行了计算方法的研究。用快速富里叶变换法和分量分离法进行了理论分析和数值对比计算,两种方法都达到二阶精度,分量分离法计算稳定性比较好,运算速度快。     

周期对称结构R-FDTD方法及其减元优化

论述减缩时域有限差分方法(R-FDTD)中暂存场分量边值补充计算的必要性,提出周期对称结构R-FDTD方法,基于对称关系和周期边界条件(PBC),给出需要补充计算的暂存分量表达式.利用对称性,将计算空间缩减为原来的1/4,对称面外侧场分量由对称关系得到,1/4空间周期对称结构R-FDTD可更进一步将计算区域的内存使用量降为FDTD算法的1/6,且不影响计算精度.计算无限大钢筋网和钢筋混凝土墙壁的电磁脉冲响应,结果与FDTD的计算结果吻合.改进的算法在内存使用和计算时间上具有明显的优势.     

MS-Windows software for space groups: Application to domain structure symmetry analysis

An integrated package of programs has been developed for IBM-Compatible PCs to investigate the structures and representations of crystallographic space groups. The package is implemented as a Microsoft Windows application using Borland Delphi with user code in Object-Pascal.

Parts of this software have been adapted to assist in the symmetry analysis of domain structures. For a given phase transition the software identifies all domain states and finds, e.g. (i) symmetry groups of all domain states, (ii) all operations that transform a given domain state into another domain state, (iii) classes of crystallographically equivalent domain pairs with similar domain distinction, (iv) symmetries of ordered and unordered domain pairs, (v) twinning groups of domain pairs and associated minimal permutable sets of domain states, (vi) intermediate groups of the inverse twinning problem.

As an illustrative example of the use of the software we consider the symmetry analysis of domain structures in the 2H polytype TaSe₂.     

A parallel algorithm for solving the 3d Schrödinger equation

We describe a parallel algorithm for solving the time-independent 3d Schrödinger equation using the finite difference time domain (FDTD) method. We introduce an optimized parallelization scheme that reduces communication overhead between computational nodes. We demonstrate that the compute time, t, scales inversely with the number of computational nodes as t ∝ (N_nodes)^{−0.95 ± 0.04}. This makes it possible to solve the 3d Schrödinger equation on extremely large spatial lattices using a small computing cluster. In addition, we present a new method for precisely determining the energy eigenvalues and wavefunctions of quantum states based on a symmetry constraint on the FDTD initial condition. Finally, we discuss the usage of multi-resolution techniques in order to speed up convergence on extremely large lattices.     

一种改良的啁啾变换算法及其应用

快速啁啾算法引入两次快速傅里叶变换（FFT）及一个解析高斯核,计算复杂度低于卷积算法.通过对啁啾算法实现过程进行的改进,避免了该算法在实现过程中存在的一些问题,比如输出窗口小、信号丢失、计算复杂度稍大等缺点. 把算法用于简单的可求得解析解的系统并与之做比较. 对高斯函数,最大误差通常在10^-15数量级,而对矩形函数,由于受FFT算法计算精度的影响,误差在10^-3数量级,但这并不影响算法的性能. 最后把算法用于一种典型的标量衍射系统及分数傅里叶变换的计算,获得了很好的结果. 关键词： 快速啁啾算法 啁啾Z变换 菲涅耳变换 分数傅里叶变换     

流体力学拉氏守恒滑移线算法设计

本文在Wilkins滑移线算法的基础上, 设计了从区网格边人工黏性对主点施加算法. 结合拉氏“相容性格式”, 通过定义“接触力”和“接触力做功”, 利用局部修正内能的方法设计了总能量守恒的流体力学拉氏格式. 该修正方法可保证对称性、守恒性; 提高数值模拟分辨率.     

Fast Fourier domain localization algorithm of a single molecule with nanometer precision

We present an algorithm to determine the location of a fluorescent molecule with nanometer-scale accuracy. A Fourier domain localization scheme based on zero-padded fast Fourier transform and phase gradient operators is used to obtain a powerful mathematical model for localizing the molecule without numerical fitting. Compared with conventional algorithms, our position estimator does not require prior background information or initial parameter estimation. Numerical simulations indicate that the proposed method exhibits high localization precision and small bias while executing almost as fast as the fluoroBancroft algorithm.     

Anisotropic elasticity in confocal studies of colloidal crystals

We consider the theory of fluctuations of a colloidal solid observed in a confocal slice. For a cubic crystal we study the evolution of the projected elastic properties as a function of the anisotropy of the crystal using numerical methods based on the fast Fourier transform. In certain situations of high symmetry we find exact analytic results for the projected fluctuations.     

Parallel re-initialization of level set functions on distributed unstructured tetrahedral grids

Level set functions are employed to track interfaces in various application areas including simulation of two-phase flows and image segmentation. Often, a re-initializing algorithm is incorporated to transform a numerically instable level set function to a signed distance function. In this note, we present a parallel algorithm for re-initializing level set functions on unstructured, three-dimensional tetrahedral grids. The main idea behind this new domain decomposition approach is to combine a parallel brute-force re-initializing algorithm with an efficient way to compute distances between the interface and grid points. Time complexity and error analysis of the algorithm are investigated. Detailed numerical experiments demonstrate the accuracy and scalability on up to 128 processes.     

Exact SO(5) symmetry in the spin-3/2 fermionic system

The spin-3/2 fermion models with contact interactions have a generic SO5 symmetry without any fine-tuning of parameters. Its physical consequences are discussed in both the continuum and lattice models. A Monte Carlo algorithm free of the sign problem at any doping and lattice topology is designed when the singlet and quintet interactions satisfy U0< or = U2< or = -3/5 U0 (U0< or = 0), thus making it possible to study different competing orders with high numerical accuracy. This model can be accurately realized in ultracold atomic systems.     

Quantum Image Encryption Based on Iterative Framework of Frequency-Spatial Domain Transforms

A novel quantum image encryption and decryption algorithm based on iteration framework of frequency-spatial domain transforms is proposed. In this paper, the images are represented in the flexible representation for quantum images (FRQI). Previous quantum image encryption algorithms are realized by spatial domain transform to scramble the position information of original images and frequency domain transform to encode the color information of images. But there are some problems such as the periodicity of spatial domain transform, which will make it easy to recover the original images. Hence, we present the iterative framework of frequency-spatial domain transforms. Based on the iterative framework, the novel encryption algorithm uses Fibonacci transform and geometric transform for many times to scramble the position information of the original images and double random-phase encoding to encode the color information of the images. The encryption keys include the iterative time t of the Fibonacci transform, the iterative time l of the geometric transform, the geometric transform matrix G i which is n × n matrix, the classical binary sequences K (\(k_{0}k_{1}{\ldots } k_{2^{2n}-1}\)) and \(D(d_{0}d_{1}{\ldots } d_{2^{2n}-1}\)). Here the key space of Fibonacci transform and geometric transform are both estimated to be 2²⁶. The key space of binary sequences is (2 ^n×n ) × (2 ^n×n ). Then the key space of the entire algorithm is about \(2^{2{n^{2}}+52}\). Since all quantum operations are invertible, the quantum image decryption algorithm is the inverse of the encryption algorithm. The results of numerical simulation and analysis indicate that the proposed algorithm has high security and high sensitivity.     

有限深水域中三维频域自由面格林函数及其导数的计算方法

三维频域自由面格林函数及其偏导数的数值计算是海洋结构物水动力分析的难点.本文对有限水深格林函数及其偏导数的数值算法作出两点改进:①对原函数的级数表达式进行变形,提出适用于数值计算的形式,解决高频率情况下级数解的计算失真问题;②对Gauss-Laguerre积分法作出改进,解决高频率大水深情况下积分解的数值溢出问题.计算...     

对称三角线性调频水声通信信号的同步检测方法

同步捕获是水声通信中的重要环节。基于分数阶傅里叶变换(FRFT)可提高对称三角线性调频波(STLFM)的信号同步捕获精度。理论分析表明,对称三角线性调频波在同步窗口正确时,其分数阶傅里叶变换(FRFT)域上具有双尖峰对称性。利用FRFT域上两个尖峰的位置偏移可估计并矫正同步信号的多普勒频移与时间延迟,进而利用FRFT域上两个尖峰的峰值差可实现对同步跟踪环路的精细调整。水声传播仿真和五缘湾浅海信道测试结果表明,在相同时间带宽乘积情况下,所提同步方法的同步误差均值比线性调频(LFM)同步方法低1/3,同步误差均方误差上降低至1/5¹/10,具有更好的准确性和稳定性。     

Vibration-inversion-rotation spectra of ammonia. A vibration-inversion-rotation Hamiltonian for NH3

A new model Hamiltonian has been developed to study the vibration-inversion-rotation energy levels of ammonia. In this model the inversion motion is removed from the vibrational problem by allowing the molecular reference configuration to be a function of the large amplitude motion coordinate. The treatment follows closely that developed by Hougen, Bunker, and Johns for the study of triatomic molecules.The numerical methods that have been used to solve the zeroth-order Hamiltonian describing the inversion-rotation energy levels of NH₃ and ND₃ in the ground vibrational state are discussed. Certain group-theoretical problems concerning the symmetry classification of the states of ammonia are also discussed.     

Image recovery by backward iteration of the non-standard finite difference time domain algorithm

The time-reversed finite difference time domain (FDTD) algorithm is a useful tool for image recovery. By using a negative time step, a scattered wave field can propagated backwards to extract information about the size and shape of a scatterer, but errors, in both the FDTD algorithm and noise in scattered field data, reduce the quality of the recovered image. Using a new high accuracy FDTD algorithm derived from a nonstandard (NS) finite difference model, we can greatly reduce FDTD error. Using NS-FDTD we have investigated image recovery as a function of noise in numerical experiments.     

Optical hyperspectral data encryption in spectrum domain by using 3D Arnold and gyrator transforms

In this letter, a hyperspectral image encryption algorithm based on 3D Arnold transform and gyrator transform in spectrum domain is proposed. First, the original hyperspectral cube will be scrambled by 3D Arnold transform in the spatial domain. Subsequently, the obtained intermediate data are converted into spectrum domain to create a new spectral image. This new spectral image is decomposed into numerous single pieces and encoded using gyrator transform. The corresponding decrypted hyperspectral cube can be recovered by performing along the reverse direction of the encryption process. Some numerical simulations have been performed to verify the validity and capability of the proposed hyperspectral encryption algorithm.     

光子晶体传输特性的时域精细积分法分析

将精细积分法应用于时域有限差分法中,提出了一种求解光子晶体传输特性的时域精细积分法,并对其计算精度及稳定性进行了分析.从一阶麦克斯韦方程出发,在空间上采用Yee元胞进行差分离散,结合吸收边界条件及激励源表达式将方程整理为标准的一阶常微分方程组形式.通过时间步长的精细划分和指数矩阵的加法定理,在时间上利用精细积分法对齐次微分方程进行积分求解,并结合激励向量的特解得到空间离散的场分量,最终通过傅里叶变换求得方程的解.利用时域精细积分法对光子晶体进行了实例计算,并将其结果分别与时域有限差分法和四阶龙格库塔法在精度、稳定性等方面进行了比较,结果表明时域精细积分法具有更高的计算精度,并且克服了时域有限差分法以及四阶龙格库塔法在计算稳定性上对时间步长的限制.提出的方法具有精确、稳定的特点,为光子晶体传输特性的研究提供了一种新的有效的分析方法.     

A cell-centered Lagrangian scheme with the preservation of symmetry and conservation properties for compressible fluid flows in two-dimensional cylindrical geometry

We develop a new cell-centered control volume Lagrangian scheme for solving Euler equations of compressible gas dynamics in cylindrical coordinates. The scheme is designed to be able to preserve one-dimensional spherical symmetry in a two-dimensional cylindrical geometry when computed on an equal-angle-zoned initial grid. Unlike many previous area-weighted schemes that possess the spherical symmetry property, our scheme is discretized on the true volume and it can preserve the conservation property for all the conserved variables including density, momentum and total energy. Several two-dimensional numerical examples in cylindrical coordinates are presented to demonstrate the performance of the scheme in terms of symmetry, accuracy and non-oscillatory properties.     

Amplitude analysis of Kaon-nucleon scattering data

The KN scattering amplitudes have been extracted from experimental data in the energy range 3 ? k ? 14 GeV/c and for transfer values between ?0.05 and ?0.6 GeV².The ω and P+f helicity-flip amplitudes and the A₂ helicity non-flip amplitude have been neglected; it is shown, that these simplifications are compatible with the data and have no significant influence on our results. One needs to assume the approximate validity of SU(3) symmetry for the ? and A₂ couplings. A very important constraint for this analysis comes from recent experimental data for the reaction K_L⁰p → K_S⁰p. The results for A₂ and ω exchanges are analysed as functions of momentum transfer and energy and we test several current theoretical ideas. Information about f-exchange is also obtained when some further assumptions are made concerning SU(3) symmetry and duality at t = 0. Extrapolating the amplitudes to t = 0 a comparison is made with dispersion relation calculations; at other t-values we compare with results obtained from finite energy sum rules and other analyses based on fixed f analyticity. The predictions for KN data which have not been considered in this analysis are shown to be in good agreement. One of our results is that the ?-ω universality rule is approximately satisfied; we also find a strong indication for a peripheral behaviour of the imaginary part of the non-flip f-exchange amplitude.     

The rovibrational levels of ammonia

In this paper we report variational rovibrational studies on ammonia and its isotopomers. We use six internal coordinates (one of which describes the umbrella motion). The expansion functions are products of one-dimensional functions of these internal coordinates, multiplied by appropriate functions of the Euler angles to describe the rotational motion. We use a previously published high accuracy six-dimensional potential energy surface [LEONARD, C., HANDY, N. C., CARTER, S., and BOWMAN, J. M., 2002, Spectrachim. Acta, 58, 825]. We derive the full kinetic energy operator for the rovibrational motion in these coordinates. This operator has been completely checked to give a hermitian secular matrix. All matrix elements are evaluated numerically by quadrature. The symmetry of the expansion functions is fully described in D_3h, C_2v and C_s. It is not possible to perform the calculations in D_3h, but complete degeneracy in the appropriate levels is obtained with the C_2v program. The algebraic complexity of this program has been far greater than for any other variational study we have undertaken for a tetra-atomic molecule.

We present J = 0, 1, 2 energy levels for the experimentally observed band origins of NH₃, and J = 0, 1 energy levels for the ground state and fundamentals of NH₂D, ND₂H and ND₃. For the asymmetric isotopomers, identical results are obtained for both C_2v and C_s, thus confirming the validity of the method. The levels we obtain are completely converged. Agreement with observation is of the order of 0.5% (of course being dependent upon the accuracy of the potential energy surface); therefore the ordering of the rotational levels and their splitting is completely predicted and understood.