On-line testing of gas chromatographic columns with a programmable computing integrator

Summary A program is described which calculates the number of effective plates and the coating efficiency over the entire range of a test chromatogram. The peak widths at half height are derived by assuming a Gaussian peak shape. The interpolated peak width at k=4 is used for computing a standardized number of effective plates. Plate height, column permeability, overall performance and a novel parameter called sampling efficiency are calculated from 5 other figures — i. e. carrier gas code, pressure drop, column length, column temperature and particle size.Dedicated to Dr. Leslie S. Ettre for his 60th birthday.     

Functional electronics with discrete integrators based on superionic conductors

The possibilities for developing devices on the basis of superionic conductors for measuring and providing advance electric energy consumption and determining the integral index of luminous energy are considered. It is experimentally shown that the consumed charge and the illumination intensity in a certain time interval can be measured without feeding power to the devices. The measuring transducers are easy to design and realize. The reliability and reproducibility of results are supported.     

Rigid-body dynamics in the isothermal-isobaric ensemble: a test on the accuracy and computational efficiency

We have developed a time-reversible rigid-body (rRB) molecular dynamics algorithm in the isothermal-isobaric (NPT) ensemble. The algorithm is an extension of rigid-body dynamics [Matubayasi and Nakahara, J Chem Phys 1999, 110, 3291] to the NPT ensemble on the basis of non-Hamiltonian statistical mechanics [Martyna, G. J. et al., J Chem Phys 1994, 101, 4177]. A series of MD simulations of water as well as fully hydrated lipid bilayer systems have been undertaken to investigate the accuracy and efficiency of the algorithm. The rRB algorithm was shown to be superior to the state-of-the-art constraint-dynamics algorithm SHAKE/RATTLE/ROLL, with respect to computational efficiency. However, it was revealed that both algorithms produced accurate trajectories of molecules in the NPT as well as NVT ensembles, as long as a reasonably short time step was used. A couple of multiple time-step (MTS) integration schemes were also examined. The advantage of the rRB algorithm for computational efficiency increased when the MD simulation was carried out using MTS on parallel processing computer systems; total computer time for MTS-MD of a lipid bilayer using 64 processors was reduced by about 40% using rRB instead of SHAKE/RATTLE/ROLL.     

基于CIC的数字正交锁相放大器的甲烷检测实验研究

针对甲烷在大气中背景气体成分复杂、检测难度大、稳定性差等问题,本文基于可调谐二极管激光吸收光谱技术和波长调制光谱技术,将积分梳状滤波器与有限脉冲响应滤波器相结合应用于数字正交锁相放大器,开展大气中甲烷气体的痕量检测实验研究.实验表明,与传统的数字正交锁相放大器相比较,改进的数字正交锁相放大器提取的二次谐波信号的信噪比从...     

时间相关外场中量子系统的辛算法

引入辅助变量将时间相关外场中量子系统的显含时间哈密顿系统转换成不显含时间的可分哈密顿系统,给出了任意阶精度的显式辛格式,计算了一维有限宽无限深势阱中的电子与模拟激光场的相互作用,结果与理论分析一致,且很好地保持了波函数模方归一,表明该方法适于计算激光场与原子的相互作用.     

无源RC积分器在多脉冲信号测量中的问题分析

由微分测量探头和积分器构成的微分积分测量系统广泛应用于脉冲电压和电流测量。依据无源RC积分器的等效电路,分析了在多脉冲信号测量中,无源RC积分器在实现微分信号的积分还原时,可以引起信号的平顶降和信号基线偏离,给出了平顶降和基线偏离与信号脉冲宽度和积分常数的定量关系,计算了在不同积分器参数和脉冲信号参数时的平顶降和基线偏离结果,并且与PSpice电路模拟结果进行了比较,两种结果一致。按照此定量关系,可以根据脉冲信号特点和测量要求,准确确定积分器参数。     

高阶辛算法的稳定性与数值色散性分析

利用Maxwell方程的哈密尔顿函数,导出对应的欧拉-哈密尔顿方程.利用辛积分技术与高阶交错差分技术,建立求解三维时域Maxwell方程的高阶辛算法;结合电磁场中的物理概念,借助矩阵分析和张量分析理论,获得高阶时域方法及高阶辛算法的稳定性和数值色散性的统一处理新方法.用数值结果证实方法的正确性,与FDTD算法和其它时域高阶方法相比,高阶辛算法具有较大的计算优势,为电磁计算提供了新的途径.     

大功率半导体激光泵浦固体激光器脉冲电源设计

介绍一种大功率半导体激光泵浦固体激光器(DPSSL)脉冲驱动电源的设计电路及其控制方法。根据半导体激光器的工作特性,采用前级电容充电电路与后级脉冲电流产生电路相结合的电路结构。由于LCC谐振电路具有软开关特性和抗负载短路、开路的能力,又能够实现对储能电容恒流充电的功能,因此其适合做为脉冲电源中储能电容的充电电路;后级脉冲电流产生电路选择大功率MOSFET做为主控器件,利用MOSFET饱和区的漏极电流可控性,通过栅极电压控制产生负载脉冲电流。控制部分采用模拟与数字相结合的控制方式,使脉冲电源控制更加灵活,引入脉冲电流指令给定积分器,可以更有效地控制脉冲电流上升过程,抑制电流过冲,提高控制精度,使脉冲驱动电源产生类似矩形波的大功率脉冲电流。搭建了脉冲功率为28 kW的实验平台,实验达到的指标：脉冲电流幅值80 A,脉冲电压350 V,脉冲宽度100 μs,重复频率100 Hz。     

Numerical examination of the extended phase‐space volume‐preserving integrator by the Nosé‐Hoover molecular dynamics equations

This article illustrates practical applications to molecular dynamics simulations of the recently developed numerical integrators [Phys Rev E 2006, 73, 026703] for ordinary differential equations. This method consists of extending any set of ordinary differential equations in order to define a time invariant function, and then use the techniques of divergence‐free solvable decomposition and symmetric composition to obtain volume‐preserving integrators in the extended phase space. Here, we have developed the technique by constructing multiple extended‐variable formalism in order to enhance the handling in actual simulation, and by constituting higher order integrators to obtain further accuracies. Using these integrators, we perform constant temperature molecular dynamics simulations of liquid water, liquid argon and peptide in liquid water droplet. The temperature control is obtained through an extended version of the Nosé‐Hoover equations. Analyzing the effects of the simulation conditions including time step length, initial values, boundary conditions, and equation parameters, we investigate local accuracy, global accuracy, computational cost, and sensitivity along with the sampling validity. According to the results of these simulations, we show that the volume‐preserving integrators developed by the current method are more effective than traditional integrators that lack the volume‐preserving property. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009     

Multisymplectic Lie group variational integrator for a geometrically exact beam in R3

In this paper we develop, study, and test a Lie group multisymplectic integrator for geometrically exact beams based on the covariant Lagrangian formulation. We exploit the multisymplectic character of the integrator to analyze the energy and momentum map conservations associated to the temporal and spatial discrete evolutions.