A study of the precision and accuracy of peak quantification in comprehensive two-dimensional liquid chromatography in time

Simulated chromatographic data were used to determine the precision and accuracy in the estimation of peak volumes (i.e., peak sizes) in comprehensive two-dimensional liquid chromatography in time (LC × LC). Peak volumes were determined both by summing the areas in the second dimension chromatograms and by fitting the second dimension areas to a Gaussian peak. The Gaussian method is better at predicting the peak volume than the moments method provided there are at least three second dimension injections above the limit of detection (LOD). However, when only two of the second dimension signals are substantially above baseline, the accuracy and precision of the Gaussian fit method become quite poor because the results from the fitting algorithm become indeterminate. Based on simulations in which the modulation ratio (M_R = 4¹σ/t_s) and sampling phase (?) were varied, we conclude for well-resolved peaks that the optimum precision in peak volumes in 2D separations will be obtained when the M_R is between two and five, such that there are typically four to ten second dimension peaks recorded over the eight σ width of the first dimension peak. This sampling rate is similar to that suggested by the Murphy–Schure–Foley criterion. This provides an RSD of approximately 2% for the signal-to-noise ratio used in the present simulations. The precision of the peak volume of experimental data was also assessed, and RSD values were in the range of 4–5%. We conclude that the poorer precision found in the LC × LC experimental data as compared to LC may be due to experimental imprecision in sampling the effluent from the first dimension column.     

标准镜的高精度柔性支撑镜框的优化设计

为了实现干涉仪标准镜中光学元件的高精度定位,设计了一种柔性支撑镜框,研究了该结构的力学模型、结构参数、定位精度和透镜变形。首先,根据材料力学原理将柔性镜框等效为一个弹簧系统;根据力学方程和几何关系,建立了透镜中心位置与柔性结构的挠度之间的二元方程。然后,分析了安装位置、温度、结构参数对透镜位置以及作用力的影响。最后,应用有限元仿真分析了所设计结构的力学性能,并进行对比验证。结果表明,数值仿真分析的结果与有限元仿真结果基本相同,柔性镜框的柔性结构厚度最优值为1.5 mm。该设计方案完全满足干涉仪标准镜对镜框在定位精度、稳定性方面的要求。     

二重数值积分公式的高精度对偶公式及其应用

给出了计算二重积分的Simpson公式与两点高斯公式的对偶公式的构造过程,得到与之对应的高精度对偶修正解,提高了二重数值积分公式的计算精度,同时给出了二重积分的一种估值方法.最后,应用于几个典型的数值算例,计算结果表明：对偶修正解比对应的数值积分公式及其对偶公式的解有更高的计算精度和更快的收敛速度.     

Physalis method for heterogeneous mixtures of dielectrics and conductors: Accurately simulating one million particles using a PC

Prosperetti’s seminal Physalis method, an Immersed Boundary/spectral method, had been used extensively to investigate fluid flows with suspended solid particles. Its underlying idea of creating a cage and using a spectral general analytical solution around a discontinuity in a surrounding field as a computational mechanism to enable the accommodation of physical and geometric discontinuities is a general concept, and can be applied to other problems of importance to physics, mechanics, and chemistry. In this paper we provide a foundation for the application of this approach to the determination of the distribution of electric charge in heterogeneous mixtures of dielectrics and conductors. The proposed Physalis method is remarkably accurate and efficient. In the method, a spectral analytical solution is used to tackle the discontinuity and thus the discontinuous boundary conditions at the interface of two media are satisfied exactly. Owing to the hybrid finite difference and spectral schemes, the method is spectrally accurate if the modes are not sufficiently resolved, while higher than second-order accurate if the modes are sufficiently resolved, for the solved potential field. Because of the features of the analytical solutions, the derivative quantities of importance, such as electric field, charge distribution, and force, have the same order of accuracy as the solved potential field during postprocessing. This is an important advantage of the Physalis method over other numerical methods involving interpolation, differentiation, and integration during postprocessing, which may significantly degrade the accuracy of the derivative quantities of importance. The analytical solutions enable the user to use relatively few mesh points to accurately represent the regions of discontinuity. In addition, the spectral convergence and a linear relationship between the cost of computer memory/computation and particle numbers results in a very efficient method. In the present paper, the accuracy of the method is numerically investigated by example computations using one dielectric particle, one isolated conductor particle, one conductor particle connected to an external source with imposed voltage, and two conductor/dielectric particles with strong interactions. The efficiency of the method is demonstrated with one million particles, which suggests that the method can be used for many important engineering applications of broad interest.     

高功率激光装置打靶精度测试技术

 多路激光打靶精度在惯性约束聚变实验中起着至关重要的作用,提出了基于X光针孔相机的激光打靶精度测试方法。根据显微镜读取的靶平面坐标系的靶孔中心坐标及打多孔靶后X光针孔相机所记录的靶孔中心坐标,建立靶平面坐标系和X光针孔相机坐标系之间的转换关系;通过打焦斑靶,建立焦斑模板,采用套模板的方法,读取X光针孔相机坐标系中焦斑中心坐标;由靶平面坐标系和X光针孔相机坐标系之间的转换关系,求出靶平面坐标系中焦斑中心坐标,计算得到激光打靶精度,分析打靶精度测试结果的不确定度,从而给出多路激光打靶精度测量技术和方法。     

一种新的自动聚焦算法的研究

聚焦评价函数和极点搜索策略是自动聚焦的重要模块,直接影响聚焦的效果.为同时满足自动聚焦速度和精度上的要求,提出了一种新的自动聚焦算法.该算法综合了快速改进的灰度差分法和高精度小波变换法的优点,根据各阶段聚焦评价函数的梯度选择合适的评价函数和镜头移动步长,并且实现了从大步长快速粗扫到小步长精确细调的过渡.实验表明,与传统...     

A study on volunteer augmentation navigation technology

Navigation augmentation technology is one of the most common methods to increase the continuity,reliability and integrity of the global satellite navigation system.The concept of volunteer augmentation navigation (VNA) is proposed and the elements and topological structure of VNA are also analyzed in this paper.The study focuses on the neural network model that volunteers and ordinary users use modern communication information network to exchange self-organizing information.The neural cell model of Voluntee...     

A rehabilitation training system with double-CCD camera and automatic spatial positioning technique

This study aimed to develop a computer game for machine vision integrated rehabilitation training system. The main function of the system is to allow users to conduct hand grasp-and-place movement through machine vision integration. Images are captured by a double-CCD camera, and then positioned on a large screen. After defining the right, left, upper, and lower boundaries of the captured images, an automatic spatial positioning technique is employed to obtain their correlation functions, and lookup tables are defined for cameras. This system can provide rehabilitation courses and games that allow users to exercise grasp-and-place movements, in order to improve their upper limb movement control, trigger trunk control, and balance training.     

Efficient and stable perfectly matched layer for CEM

An efficient unsplit perfectly matched layer for numerical simulation of electromagnetic waves in unbounded domains is derived via a complex change of variables. In order to surround a Cartesian grid with the PML, the time-dependent PML requires only one (scalar) auxiliary variable in two space dimensions and six (scalar) auxiliary variables in three space dimensions. It is therefore cheap and straightforward to implement. We use Fourier and energy methods to prove the stability of the PML. We extend the stability result to a semi-discrete PML approximated by central finite differences of arbitrary order of accuracy and to a fully discrete problem for the ‘Leap-Frog’ schemes. This makes precise the usefulness of the derived PML model for longtime simulations. Numerical experiments are presented, illustrating the accuracy and stability of the PML.     

基于Beta函数及其偏导数的广义积分的高精度快速计算

考虑Beta函数偏导数的计算以及与此相关的广义积分的高精度快速计算问题.首先将Beta函数B(x,y)的定义扩展到整个复平面上,并建立了在整个复平面上Beta函数B(x,y)的偏导数的递推公式.对许多广义积分我们给出Beta函数偏导数的表示形式,因而利用Beta函数的偏导数计算这些广义积分.数值计算表明,算法无论从计算精度还是计算速度,远好于数值积分.另外,得到了B_(p,q)(x,y)存在闭形式的条件,并给出一些广义积分的闭形式.