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.     

积分时滞过程的非线性比例控制

对积分时滞过程提出一种非线性比例控制算法,该算法只有一个可调参数,简单且实现容易。仿真结果显示该控制结构具有良好的设定值跟踪特性,并且对时滞偏差具有很强的鲁棒性能。最后简要讨论了抗负载干扰的性能。     

Rules for selecting the parameters of Oustaloup recursive approximation for the simulation of linear feedback systems containing PID controller

Oustaloup recursive approximation (ORA) is widely used to find a rational integer-order approximation for fractional-order integrators and differentiators of the form s^v, v ∈ (−1, 1). In this method the lower bound, the upper bound and the order of approximation should be determined beforehand, which is currently performed by trial and error and may be inefficient in some cases. The aim of this paper is to provide efficient rules for determining the suitable value of these parameters when a fractional-order PID controller is used in a stable linear feedback system. Two numerical examples are also presented to confirm the effectiveness of the proposed formulas.     

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...     

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.     

积分器的前馈超前相位补偿方法

在积分器的传递函数中增加一个常数h，提出一种新的积分器的前馈超前相位补偿方法，模拟实验结果表明，积分器的相位特性可以得到改善．