定量三维电子显微术及三维电子衍射

用电子晶体学可以确定尺度在微米甚至纳米级晶体的原子结构。它所要求的晶体尺寸比X射线晶体学所需的小百万倍。确定晶体的原子结构既可通过对高分辨电子显微像作图像处理,也可直接用电子衍射数据。同时还可将高分辨电子显微像和电子衍射数据与X射线粉末衍射结合起来确定晶体结构。如果晶体的单胞很大,原子在任何方向上的投影都有重叠,确定晶体的原子结构则需要拍摄一系列不同晶带轴的电子衍射图及高分辨像,再将其综合起来重构晶体的三维静电势图,以得到晶体的原子位置。本文将概括地介绍最近十几年中电子晶体学的一些最新进展及其在无机晶体结构解析方面的一些最新应用实例。     

（Y0.6Ca0.4）（SrBa）（Cu0.5B0.5）Cu2O7—δ的电子晶体学研究

(Y0.6Ca0.4)(SrBa)(Cu0.5B0.5)Cu2O7-δ晶体是在YBa2Cu3O7-δ超导材料中用Ca、Sr、B原子分别部分取代Y、Ba、Cu.实验表明不同量B的掺入使晶体失去超导性质,而同时再掺入Ba和Ca则又恢复超导电性[1].对其晶体结构的研究可望有助于解释这些现象.本文用高分辨电子显微学与电子衍射相结合的电子晶体学图像处理方法[2]研究了该晶体的结构.目的是先通过对高分辨电子显微镜作解卷处理,测定出低分辨率的晶体结构,然后从解卷像出发,结合电子衍射数据进行相位外推,得到能分辨出所有原子的晶体结构像.     

电子显微术测定的一个晶体结构准确到0.02nm

电子显微术测定的一个晶体结构准确到００２ｎｍ电子晶体学相对Ｘ射线晶体学的优点是：１可以从显微像直接测定晶体结构；２可以分析非常小的晶体。对ＨＲＥＭ来说，成像时只需约１００个晶胞，对电子衍射来说，只需约１０，０００个晶胞，比Ｘ射线衍射所需的晶胞数...     

定量CBED测定准晶结构因子初步研究

定量会聚束电子衍射(CBED)技术应用于晶体结构因子振幅与位相的测定,应用于晶体中电荷密度分布的测定取得了很大的成功。将定量CBED技术用于研究准晶结构,需要进行电子衍射强度的动力学计算,需要知道尽量准确的准晶结构因子的真实值,而仅将少数结构因子的振幅与位相作为可调参数对衍射强度进行拟合。准晶体的会聚束电子衍射中,不可避免地会发生衍射盘交叠的现象。准晶会聚束电子衍射的强度对结构因子的振幅与位相变化的敏感程度如何也是人们关心的问题。1.准晶结构因子的计算准晶体的结构通常在高维空间进行描述。可以用三维超平面去切…     

对最大熵法像解卷处理的进一步探讨

在弱相位物体近似下,高分辨电子显微像的强度正比于晶体的电势投影分布函数与衬度传递函数的付立叶变换的卷积。借助解卷处理可以把一幅在任意离焦条件下拍摄的高分辨像转变成晶体结构投影图。七十年代后期,李方华、范海福提出用衍射分析中的直接法来进行像解卷,特点是只需用一幅任意离焦条件的像便可恢复出晶体的结构投影图。近来,胡建军、李方华将最大熵原理应用于高分辨电子显微像的解卷处理中,也只需从一幅任意离焦条件的像出发,曾用此方法测定了未知晶体结构。     

已知晶体电子衍射指标化中的实际问题

电子衍射是晶体结构分析最为常用的实验技术之一,电子衍射花样能直接反映晶体倒易点阵的特征。但利用传统方法对电子衍射花样进行指标化相当耗时、繁杂。为此,本文基于一些常用软件和DM插件对指标化过程中衍射点间距的测量、晶面间距的计算和米勒指数的指认等环节进行实例分析,对指标化过程中的一些常见问题进行可行性讨论,以期实现更为便捷的衍射分析。     

抑制零级串扰的光栅横向剪切干涉测量

为降低传统光栅横向剪切干涉仪中双方孔空间滤波器带来的加工和装调难度,设计了一种基于9步式零级相位误差标定的光栅横向剪切干涉测量方法,只需采用可变空间滤波器即可抑制零级串扰对相移相位复原的影响。针对数值孔径为0.125的投影光刻物镜,完成了参数设计和原理验证系统的搭建。通过剪切相位复原和波前重构,实现了该物镜的波像差检测。结果表明:其波像差小于20.32nm。最后对该光栅横向剪切干涉仪进行重复精度实验,其重复精度的方均根值为0.1303nm,系统性能良好。     

高分辨电子显微学的求逆问题

本文评述了高分辨电子显微镜学中一种求逆问题的方法。此方法的实质是把衍射晶体学融合到高分辨电子显微学中。文章阐述了显微像衬度随晶体厚度的变化，从而说明当晶体厚度小于临界值时，可以合理地把建立在运动学衍射理论基础上的衍射分析方法等引用到高分辨电子显微学中，使测得晶体结构和缺陷的分辨率远高于电子显微镜的点分辨本领。文章简要地介绍了方法的原理和过程，及其在测定晶体结构和缺陷上的应用。     

体内磷酸钙沉积晶体结构的透射电镜研究

羟基磷灰石(HA)和磷酸八钙(OCP)是生物陶瓷植入体表面磷酸钙沉积的两种常见晶型.由于HA和OCP具有相似的晶体结构,利用X射线衍射法(XRD)标定二者时,极易引起混淆.本文利用透射电镜(TEM)电子衍射和高分辨电子显微(HRTEM)技术,对狗和兔子体内磷酸钙沉积进行了比较研究,通过两套典型的电子衍射图证实狗和兔体内沉积物分别具有HA和OCP晶体结构.另外,分析比较了两套电子衍射图的相似之处,发现在进行高分辨观察时,OCP晶体内部由于含有结晶水更容易发生辐照损伤.     

显微数字全息重构透明物体相位

测量透明物体的相位是重构透明物体（如生物组织）三维形貌的基础,文章用显微镜物镜、压电陶瓷和CCD建立了一套测量微小透明物体相位的显微数字全息光路,对平面光场通过透明物体后相位被调制,经显微物镜后在像面上用CCD记录全息图时的光场分布,以及数字全息重构相位的过程与计算公式进行了推导,给出了相关的计算,同时讨论了全息图记录条件。     

基于高阶马尔可夫随机场及非线性压缩感知的相位恢复算法

在编码衍射成像系统中,为精确重构复图像的幅值和相位,需获取大量的编码衍射图样,导致数据采集时间长.为减少编码衍射图样的数量,本文基于非线性压缩感知理论框架,利用高阶马尔可夫随机场统计先验模型,提出了一种鲁棒相位恢复算法.该方法将复图像的幅值和相位分别进行正则化,并将数据保真项与幅值和相位正则项结合作为代价函数,采用Heavy-Ball算法求解所对应的非凸优化问题.实验结果表明,本文算法在编码衍射图样较少的情况下仍能获得较高的图像重构质量,且对噪声鲁棒.     

A focus-of-attention preprocessing scheme for EM-ML PETreconstruction

The expectation-maximization maximum-likelihood (EM-ML) algorithm belongs to a family of algorithms that compute positron emission tomography (PET) reconstructions by iteratively solving a large linear system of equations. The authors describe a preprocessing scheme for automatically focusing the attention, and thus the computational resources, on a subset of the equations and unknowns. Experimental work with a CM-5 parallel computer implementation using a simulated phantom as well as real data obtained from an ECAT 921 PET scanner indicates that quite significant savings can be obtained with respect to both time and space requirements of the EM-ML algorithm without compromising the quality of the reconstructed images     

Relaxation procedure for phase retrieval of nonnegative signals

The paper presents an iterative procedure called the relaxation of autocorrelation equations (RAE) for solving the phase retrieval problem for nonnegative signals. First, the phase retrieval problem is formulated in the spatial domain as a set of polynomial equations with autocorrelations as known data and signal values as unknowns. Then, the RAE procedure solves these equations by recognizing one unknown at a time. While other unknowns are held constant at previously estimated values, a single unknown is varied inside the nonnegative region to globally minimize the sum of squared residuals of the equations with respect to the unknown. In every iteration, this procedure is repeated for each signal value. Since the sum of squared residuals is nonincreasing, the algorithm will either converge to a solution or stagnate; ways to overcome stagnation are suggested. The key feature of the RAE procedure is that unlike iterative transform algorithms, it allows direct control over bounding values of the signal at all times. Several numerical examples illustrate the RAE procedure     

A multiresolution framework to MEG/EEG source imaging

A new method based on a multiresolution approach for solving the ill-posed problem of brain electrical activity reconstruction from electroencephaloram (EEG)/magnetoencephalogram (MEG) signals is proposed in a distributed source model. At each step of the algorithm, a regularized solution to the inverse problem is used to constrain the source space on the cortical surface to be scanned at higher spatial resolution. We present the iterative procedure together with an extension of the ST-maximum a posteriori method [1] that integrates spatial and temporal a priori information in an estimator of the brain electrical activity. Results from EEG in a phantom head experiment with a real human skull and from real MEG data on a healthy human subject are presented. The performances of the multiresolution method combined with a nonquadratic estimator are compared with commonly used dipolar methods, and to minimum-norm method with and without multiresolution. In all cases, the proposed approach proved to be more efficient both in terms of computational load and result quality, for the identification of sparse focal patterns of cortical current density, than the fixed scale imaging approach.     

编码衍射图样的相位检索

经典的迭代相位检索方法具有抗噪性能差、不 能收敛到全局最优解等缺点;而基于相位割(PC)的最优化相位检索技术通过精确的分离振幅 和相位变量, 将相位检索问题转化 为二次约束的凸规划问题,理论上可以保证在相差全局相位因子条件下收敛到全局最优解。 本文提出用更结构 化和更“很少随机的”的三元与八元掩膜编码衍射图样(CDP),求解PC以获得丢失的 相位。模拟实验首先测试 一维复信号,分别比较不同掩膜重构的成功率。其次,比较它们对二维分子图像的重构结果 。实验结果表 明,本文方法可以获得比传统的基于二元掩膜的方法更好的重构结果。将恢复的相位分 布加载到所搭 建的基于Si基液晶(LCOS)的光学重构系统中,产生的CDP证明了所提方法的正确性。     

Frequency response of 2-dimensional digital filters

A state-space representation of an elementary 2-dimensional digital network is presented. The problem of determining the frequency response starting from its state-space equation is reduced to solving two sets of linear simultaneous equations in real unknowns at each pair of frequencies. The efficiency and the computational aspects of the proposed method are also discussed.     

基于增殖系数的混沌信号提取算法

本文提出一种基于混沌信号特性的信号盲提取算法,由于不同的混沌信号在相空间里面对应着不同的吸引子二阶增长率,利用这个特点定义了增殖系数（Proliferation Exponent,PE）并将其作为混沌信号提取的目标函数.首先分析基于增殖系数的梯度搜索方法在解决盲提取问题时存在不足,并将混沌信号的盲提取问题转化为带约束的优化问题,提出利用改进的粒子群优化算法解决信号盲提取的优化问题,通过惯性系数动态调整和最优位置的扰动,提高算法的寻优性能.实验结果表明基于增殖系数的信号提取算法能有效地提取混沌信号,提取的信号在时域和相空间与源信号接近,同时算法也表现出对噪声污染的鲁棒性.     

A subhierarchical parallel computational algorithm for solving problems of diffraction by plane screens

A subhierarchical method is proposed for solving problems of diffraction by thin plane perfectly conducting screens of an arbitrary shape. The Rao-Wilton-Glisson method is used for numerical solution of the problem. A parallel algorithm is applied to calculate matrix elements and right-hand sides. Screen currents are calculated on a computational cluster.     

Radiation of a coaxial line into a half-space

We present a new approach to the problem of radiation by a coaxial line into a half-space. We obtain boundary-integral equations for the current densities over the walls of the coax and its opening to the half-space. Using the modes of the coax for basis and testing functions, we convert the integral equations to an infinite system of linear equations, the unknowns being the coefficients of the current density expansions. We demonstrate how, by solving a small subsystem, we can obtain the fields everywhere in space.