The scattering matrix method for quantum waveguides

A scattering matrix method for investigating the electron transport in quantum waveguides is presented. By dividing the structure into a number of transverse slices, the global scattering matrix is obtained by the composition of the individual scattering matrices associated with each interface. Complicated geometries and inhomogeneous external potentials are included in the formulation. It is shown that the proposed scattering matrix method possesses many advantages over the traditional mode-matching and transfer matrix methods, especially in treating the electron wave propagation in complicated geometries. Justification for the method is provided by the unitarity of the calculated scattering matrix, and the consistency of the results with those obtained by the recursive Green's function method.

A transfer matrix approach to conductance in quantum waveguides

A transfer matrix approach is presented for the study of electron conduction in an arbitrarily shaped cavity structure embedded in a quantum wire. Using the boundary conditions for wave functions, the transfer matrix at an interface with a discontinuous potential boundary is obtained for the first time. The total transfer matrix is calculated by multiplication of the transfer matrix for each segment of the structure as well as numerical integration of coupled second-order differential equations. The proposed method is applied to the evaluation of the conductance and the electron probability density in several typical cavity structures. The effect of the geometrical features on the electron transmission is discussed in detail. In the numerical calculations, the method is found to be more efficient than most of the other methods in the literature and the results are found to be in excellent agreement with those obtained by the recursive Green's function method.

后序遍历二叉树非递归算法的推导及形式化证明

开发涉及非线性数据结构算法程序的循环不变式一直是形式化方法的难点。本文使用PAR方法开发循环不变式的新策略,对后序遍历二叉树问题循环不变式的开发使用递归定义技术,得到了该问题循环不变式的简单精确的表达形式,简化了算法程序的推导和证明过程;利用PAR平台提供的抽象程序设计语言Ap1a中的数据抽象机制,使所得的算法程序结构简洁清晰且易于证明;最后,使用Dijkstra-Gries标准程序证明法形式证明了该问题的核心算法程序(只有4行代码),并使用PAR平台将Apla程序转换成正确的C++代码。实例的成功进一步说明PAR方法提供的循环不变式的开发技术对推导和证明非线性数据结构算法程序的有效性。

Calculating the equation of state parameters and predicting the spinodal curve of isotactic polypropylene/poly(ethylene-co-octene) blend by molecular dynamics simulations combined with Sanchez-Lacombe lattice fluid theory

Molecular dynamics simulations are adopted to calculate the equation of state characteristic parameters P*, rho*, and T* of isotactic polypropylene (iPP) and poly(ethylene-co-octene) (PEOC), which can be further used in the Sanchez-Lacombe lattice fluid theory (SLLFT) to describe the respective physical properties. The calculated T* is a function of the temperature, which was also found in the literature. To solve this problem, we propose a Boltzmann fitting of the data and obtain T* at the high-temperature limit. With these characteristic parameters, the pressure-volume-temperature (PVT) data of iPP and PEOC are predicted by the SLLFT equation of state. To justify the correctness of our results, we also obtain the PVT data for iPP and PEOC by experiments. Good agreement is found between the two sets of data. By integrating the Euler-Lagrange equation and the Cahn-Hilliard relation, we predict the density profiles and the surface tensions for iPP and PEOC, respectively. Furthermore, a recursive method is proposed to obtain the characteristic interaction energy parameter between iPP and PEOC. This method, which does not require fitting to the experimental phase equilibrium data, suggests an alternative way to predict the phase diagrams that are not easily obtained in experiments.

轮式移动仿人机器人的动力学建模与分析

利用高效迭代牛顿-欧拉方法对一个21自由度的轮式移动仿人机器人进行了整体动力学建模,该模型虽然维数较高,但消除了分块建模中需要对模块之间相互作用力进行建模的难点问题,并且由于机器人双臂的对称结构,当合理规划双臂运动时,动力学模型将得到部分简化。本文还对某关节运动时在各个关节所产生的力或力矩进行了仿真分析。解析及仿真结果表明,合理规划上臂各关节的协调运动,将极大地削弱车体及腰部各关节所受的力或力矩扰动,为基于动力学的机器人运动控制以及稳定性分析提供理论依据。

模块化变形机器人非同构构形表达与计数

提出一种新型链式可重构模块机器人平台,该机器人平台具有手动可重构和自动变形的特点,介绍一种三模块变形机器人样机。组成机器人的单个模块可以简化为由模块本体、连接臂和偏置关节组成。模块的数量可以根据实际工作的需要进行选择,模块间的连接具有规则连接和非规则连接两种方式;同时,由连接模块的偏置关节的运动,模块间的相对位置可以改变。由于模块连接方式的不同和模块间相对位置的变化,变形机器人具有多种非同构构形;为此,根据模块的物理结构和邻接关系提出了用构形矩阵来表达机器人结构的拓扑信息,并在仿真环境下进行等效描述;提出基于组合计数原理的递归算法,用于多模块变形机器人的非同构构形的计数,并根据构形矩阵的拓扑信息对构形进行评价。最后根据仿真结果给出了一种三模块变形机器人样机对称构形的设计示例,验证了算法的可行性。

估计从UUV航行参数的混合坐标系下的EKF算法

在主从式UUV 协作系统中，由于定位和导航的需要，要求尽快估计出从UUV 的航行参数，但通常所用的递推最小二乘（RLS）算法，其初始方位测量对滤波结果影响大且存在收敛速度慢、计算精度低的缺点，难以满足应用需求，而推广卡尔曼滤波（EKF）算法能较好地克服上述问题。在直角坐标系下（CEKF），方位信息与距离信息相互耦合导致初始振荡剧烈，改为混合坐标系（MEKF）后问题得到了极大的改善。最后，通过仿真及现场试验验证了此改进方法的有效性。

综合权值递推最小二乘法估计从UUV航行参数

根据主UUV观测系统测量的从UUV方位信息精度高、距离信息精度低的特点,将遗忘因子和位置权值构成的综合权值融入递推最小二乘算法(RLS)用于从UUV航行参数分析,避免采用EKF算法对观测噪声要求高的缺陷,克服数据饱和现象。同时对从UUV方位信息进行预处理以提高航行参数估计的收敛速度。仿真实验证明了方法的有效性。

自适应LQR方法在载人潜水器动力定位中的应用研究

根据我国正在研制开发的某深海载人潜水器的特性及其对载人潜水器动力定位控制的要求,采用最优控制方法LQR与递推辨识系统参数相结合的方法———自适应LQR方法进行控制。仿真结果表明这种方法具有良好的控制效果。

一种测量深海应答器坐标的方法

提出一种适用于深海应答器坐标测量的方法:垂线相交法。这种方法利用立体几何原理,获得应答器坐标。即测量母船在距应答器适中的位置沿两条相互垂直的航迹航行,分别找到两条航迹上与应答器斜距最小的点,过这两个点在水平面上做两条垂线,交点的经纬度坐标就是应答器的经纬度坐标。分析了影响测量误差的重要因素,并提出测量原则以满足精度要求,使测量系统具有很好的鲁棒性。为提高测距精度,采用射线声学理论中的RRA算法对声线进行修正。仿真实验证明了垂线相交法的有效性。该测量方法对深度没有要求,简化了繁琐的现场操作和水声测量系统,具有很高的工程实用价值。

一类载人潜水器的改进LQG控制研究

针对一类载人潜水器(MSV,MannedSubmersibleVehicle)在动力定位中多自由度之间存在的强耦合、非线性,以及系统参数的时变特性,文章采用带遗忘因子的递推最小二乘法和平方根法对系统参数进行辨识,然后在状态空间进行多输入多输出(MIMO)线性系统的最优控制研究。仿真结果表明,该两种改进LQG控制方法对于外界扰动以及系统的参数时变具有良好的控制效果,控制精度得到提高,为实际载人潜水器控制系统的多自由度动力定位控制提供了坚实的依据。

双向联想记忆神经网络的一种编码策略

本文提出一种双向联想记忆神经网络的按‘位’加权编码策略，并给出了求取权值的速推算法．它将Ｋｏｓｋｏ双向联想记忆神经网络按海明距离进行模式匹配的原则，修正为按加权海明距离进行模式匹配，从而可以使得对不满足连续性的所谓“病态结构”的一类样本模式集，同样具有良好的联想能力．对二值图象模式存贮、联想的计算机模拟实验表明，此方法具有优良的性能和实用价值。

机械臂惯性矩阵的并行计算

本文在给出一种非递推形式的逆动力学计算公式的基础上，针对机械臂惯性矩阵的计算提出了一种面向Ｏ（ｎ）个处理器的并行算法，并以ＰＵＭＡ５６０机器人的前３个臂为例进行了计算效率分析

多关节机器人工作空间的分析与评价方法

本文运用 H-D 变换的基本原理,结合极坐标变换导出了产生n自由度多关节机器人工作空间的递推算法,当给定了机器人的结构尺寸,即可将机器人工作空间在一特定平面内的边界图形用计算机打出并计算出机器人工作空间容积。在本文的另一部分介绍了两种计算机器人工作空间的性能指标,最后用几个机器人的结构参数进行计算和讨论。

积分偏移的计算几何与并行实现

The Second Round of Oil & Gas Exploration needs more precision imaging method, velocity vs. depth model and geometry description on Complicated Geological Mass. Prestack time migration on inhomogeneous media was the technical basic of velocity analysis, prestack time migration on Rugged surface, angle gather and multi-domain noise suppression. In order to realize this technique, several critical technical problems need to be solved, such as parallel computation, velocity algorithm on ununiform grid and visualization. The key problem is organic combination theories of migration and computational geometry. Based on technical problems of 3-D prestack time migration existing in inhomogeneous media and requirements from nonuniform grid, parallel process and visualization, the thesis was studied systematically on three aspects: Infrastructure of velocity varies laterally Green function traveltime computation on ununiform grid, parallel computational of kirchhoff integral migration and 3D visualization, by combining integral migration theory and Computational Geometry. The results will provide powerful technical support to the implement of prestack time migration and convenient compute infrastructure of wave number domain simulation in inhomogeneous media. The main results were obtained as follows: 1. Symbol of one way wave Lie algebra integral, phase and green function traveltime expressions were analyzed, and simple 2-D expression of Lie algebra integral symbol phase and green function traveltime in time domain were given in inhomogeneous media by using pseudo-differential operators’ exponential map and Lie group algorithm preserving geometry structure. Infrastructure calculation of five parts, including derivative, commutating operator, Lie algebra root tree, exponential map root tree and traveltime coefficients , was brought forward when calculating asymmetry traveltime equation containing lateral differential in 3-D by this method. 2. By studying the infrastructure calculation of asymmetry traveltime in 3-D based on lateral velocity differential and combining computational geometry, a method to build velocity library and interpolate on velocity library using triangulate was obtained, which fit traveltime calculate requirements of parallel time migration and velocity estimate. 3. Combining velocity library triangulate and computational geometry, a structure which was convenient to calculate differential in horizontal, commutating operator and integral in vertical was built. Furthermore, recursive algorithm, for calculating architecture on lie algebra integral and exponential map root tree (Magnus in Math), was build and asymmetry traveltime based on lateral differential algorithm was also realized. 4. Based on graph theory and computational geometry, a minimum cycle method to decompose area into polygon blocks, which can be used as topological representation of migration result was proposed, which provided a practical method to block representation and research to migration interpretation results. 5. Based on MPI library, a process of bringing parallel migration algorithm at arbitrary sequence traces into practical was realized by using asymmetry traveltime based on lateral differential calculation and Kirchhoff integral method. 6. Visualization of geological data and seismic data were studied by the tools of OpenGL and Open Inventor, based on computational geometry theory, and a 3D visualize system on seismic imaging data was designed.