PBFC-PI量子动力学方法及应用

对多原子体系的量子动力学计算非常重要, 然而, 对含六原子以上的分子体系进行精确量子动力学计算仍具挑战性. 面向过程的基函数定制(PBFC)-并行迭代(PI)方法是一种高效的量子动力学方法, 已应用于对含九原子的丙二醛异构体系的氢迁移速率的精确量子计算. 本综述首先阐明了PBFC的基本思想, 之后重点回顾了PBFC-PI方法的具体内容、 该方法与其它方法的结合及其应用方面的新进展. 应用这些方法实现了对单氢迁移、 协同双氢迁移和分步双氢迁移3种类型基准体系的大规模并行计算, 有助于获得对氢迁移过程的新认识.     

Spatial-based iterative learning control for motion control applications

For many motion control applications spatial constraints are often more important than temporal constraints. In recent work, we have developed a spatial control strategy called the ε-controller for mobile robot applications. The control strategy is based solely on static path geometry with position (in space) feedback. Motivated by this idea, in this paper, we consider the notion of spatial-based iterative learning control (ILC). Specifically, we consider repetitive operation problems where corrections are made to the control signal from trial to trial. Unlike traditional ILC, however, which updates control signals based on the time elapsed along a trajectory, we instead make updates based on path errors and progress along the path. The idea is demonstrated via simulation for a system with bang–bang velocity control. Experimental results using a high-precision, two-axis gimbal mechanism are presented to show the effectiveness of the strategy.     

用瑞利激光雷达16年观测数据分析合肥地区大气密度分布特征

介绍了L625瑞利激光雷达系统结构以及基于瑞利散射理论探测大气分子数密度的原理.提出了反复迭代修正大气透过率的计算方法,并通过模拟仿真验证了该算法的可靠性.通过误差分析得到影响大气分子密度不确定度的主要因素为回波信号信噪比以及参考点处大气分子数密度值,给出了回波信号误差产生的主要来源以及参考点选取方法.最后,分析了激光雷达16年观测数据反演的结果,得到合肥地区大气分子数密度的月份以及年份分布状况,结果表明:中层大气分子数密度分布呈现明显的季节性分布特征,冬季分布稀疏,夏季分布密集,随年份分布则较为平稳.通过将统计平均得到的密度廓线与1976美国标准大气模式比对分析,发现由激光雷达观测反演得到的结果较模式值大,二者的比值在1.05～1.13之间.     

A mesh simplification strategy for a spatial regression analysis over the cortical surface of the brain

We present a new mesh simplification technique developed for a statistical analysis of a large data set distributed on a generic complex surface, topologically equivalent to a sphere. In particular, we focus on an application to cortical surface thickness data. The aim of this approach is to produce a simplified mesh which does not distort the original data distribution so that the statistical estimates computed over the new mesh exhibit good inferential properties. To do this, we propose an iterative technique that, for each iteration, contracts the edge of the mesh with the lowest value of a cost function. This cost function takes into account both the geometry of the surface and the distribution of the data on it. After the data are associated with the simplified mesh, they are analyzed via a spatial regression model for non-planar domains. In particular, we resort to a penalized regression method that first conformally maps the simplified cortical surface mesh into a planar region. Then, existing planar spatial smoothing techniques are extended to non-planar domains by suitably including the flattening phase. The effectiveness of the entire process is numerically demonstrated via a simulation study and an application to cortical surface thickness data.     

基于瑞利-索末菲积分的大衍射角衍射光学元件设计方法

针对现有的衍射光学元件设计方法只适用于小角度衍射的情况,本文提出了一种基于瑞利-索末菲衍射积分的设计方法,可以用来设计具有大衍射角的衍射光学元件。先对目标光场进行坐标变换和强度调整,再利用改进的Gerchberg-Saxton算法优化得到衍射光学元件的相位分布。分别采用本文方法和原有的基于夫琅禾费衍射积分的方法设计衍射光学元件实现线条结构光和不同角度方框图形的光场重构,结果表明:原有的设计方法只适用于衍射角全角小于25°的情况,当衍射角大于25°时,重构光场会出现显著的枕形畸变和不均匀的强度分布。而本文方法在小角度和大角度衍射下都能重构出准确的衍射角和较为均匀的强度分布.     

Geometrically non-linear transverse vibrations of C-S-S-S and C-S-C-S rectangular plates

This paper is concerned with a new improved formulation of the theoretical model previously developed by Benamar et al. based on Hamilton's principle and spectral analysis, for the geometrically non-linear vibrations of thin structures. The problem is reduced to a non-linear algebraic system, the solution of which leads to determination of the amplitude-dependent fundamental non-linear mode shapes, the frequency parameters, and the non-linear stress distributions. The cases of C-S-C-S and C-S-S-S rectangular plates are examined, and the results obtained are in a good qualitative and quantitative agreement with the previous available works, based on various methods. In order to obtain explicit analytical solutions for the first non-linear mode shapes of C-S-C-S RP² and C-S-S-S RP, which are expected to be very useful in engineering applications and in further analytical developments, the improved version of the semi-analytical model developed by El Kadiri et al. For beams and fully clamped rectangular plates, has been slightly modified, and adapted to the above cases, leading to explicit expressions for the higher basic function contributions, which are shown to be in a good agreement with the iterative solutions, for maximum non-dimensional vibration amplitude values up to 0.75 and 0.6 for the first non-linear mode shapes of C-S-C-S RP and C-S-S-S RP, respectively.     

Averaging scheme for atomic resolution off-axis electron holograms

All micrographs are limited by shot-noise, which is intrinsic to the detection process of electrons. For beam insensitive specimen this limitation can in principle easily be circumvented by prolonged exposure times. However, in the high-resolution regime several instrumental instabilities limit the applicable exposure time. Particularly in the case of off-axis holography the holograms are highly sensitive to the position and voltage of the electron-optical biprism. We present a novel reconstruction algorithm to average series of off-axis holograms while compensating for specimen drift, biprism drift, drift of biprism voltage, and drift of defocus, which all might cause problematic changes from exposure to exposure. We show an application of the algorithm utilizing also the possibilities of double biprism holography, which results in a high quality exit-wave reconstruction with 75 pm resolution at a very high signal-to-noise ratio.