Evaluation of the use of consensus values in proficiency testing programmes

Proficiency testing (PT) is an essential tool used by laboratory accreditation bodies to assess the competency of laboratories. Because of limited resources of PT providers or for other reasons, the assigned reference value used in the calculation of z-score values has usually been derived from some sort of consensus value obtained by central tendency estimators such as the arithmetic mean or robust mean. However, if the assigned reference value deviates significantly from the ‘true value’ of the analyte in the test material, laboratories’ performance will be evaluated incorrectly. This paper evaluates the use of consensus values in proficiency testing programmes using the Monte Carlo simulation technique. The results indicated that the deviation of the assigned value from the true value could be as large as 40%, depending on the parameters of the proficiency testing programmes under investigation such as sample homogeneity, number of participant laboratories, concentration level, method precision and laboratory bias. To study how these parameters affect the degree of discrepancy between the consensus value and the true value, a fractional factorial design was also applied. The findings indicate that the number of participating laboratories and the distribution of laboratory bias were the prime two factors affecting the deviation of the consensus value from the true value.     

可调移动重叠分离图法用于高效液相色谱多台阶梯度分离条件优化的研究

计算机辅助高效液相色谱（HPLC）分离条件优化可以低成本、快速地得到优化的分离条,因而已较为广泛地用于复杂样品的分离分析。基于移动重叠分离图方法,又发展了一种新型的多台阶梯度分离条件的优化方法可调移动重叠分离图法。该方法通过预测不同流动相条件下各组分的保留时间、峰宽和分离度,绘制出对于样品中各组分的重叠分离区域图。在对当前台阶流动相组成进行优化的同时,考虑其对后面一到两个台阶上流出组分保留的影响,实时地重新绘制对于后面台阶上流出组分的重叠分离区域图。通过观察当前台阶流动相条件对当前台阶和后面台阶上流出组分分离的影响,综合考虑样品中所有组分的分离情况,找到更接近全局最优的分离条件。通过扫描的方法对优化得到的分离条件进行微调,能够进一步提高分离效果。采用文献数据对可调移动重叠分离图法的应用加以说明,在二元流动相体系下,证明了该方法在HPLC方法建立方面的优越性。     

Optimizing control of simulated moving beds--linear isotherm

A new optimization based adaptive control strategy for simulated moving beds (SMBs) is proposed. A linearized reduced order model, which accounts for the periodic nature of the SMB process, is used for online optimization and control. The manipulated variables are the four inlet flow rates, the outputs are the raffinate and extract concentrations. Concentration measurements at the raffinate and extract outlets are used as the feedback information. The state estimate from the periodic Kalman filter is used for the prediction of the outlet concentrations over a chosen horizon. Predicted outlet concentrations are the basis for the calculation of the optimal input adjustments, which maximize the productivity and minimize the desorbent consumption subject to constraints on product purities. The realization of this concept is discussed and the implementation on a virtual eight column SMB platform is assessed, in the case of binary linear systems. For a whole series of typical plant disturbances it is shown that the proposed approach is effective in minimizing off-spec products and in achieving optimal SMB operation, also in the case where there are significant model uncertainties.     

An ALE finite element method for a coupled Stefan problem and Navier–Stokes equations with free capillary surface

In this article, an ALE finite element method to simulate the partial melting of a workpiece of metal is presented. The model includes the heat transport in both the solid and liquid part, fluid flow in the liquid phase by the Navier–Stokes equations, tracking of the melt interface solid/liquid by the Stefan condition, treatment of the capillary boundary accounting for surface tension effects and a radiative boundary condition. We show that an accurate treatment of the moving boundaries is crucial to resolve their respective influences on the flow field and thus on the overall energy transport correctly. This is achieved by a mesh‐moving method, which explicitly tracks the phase boundary and makes it possible to use a sharp interface model without singularities in the boundary conditions at the triple junction. A numerical example describing the welding of a thin‐steel wire end by a laser, where all aforementioned effects have to be taken into account, proves the effectiveness of the approach.Copyright © 2012 John Wiley & Sons, Ltd.     

考虑运动受限的履带式移动机器人轨迹跟踪控制

针对履带式移动机器人的轨迹跟踪控制问题进行研究,首先,建立了履带式移动机器人的运动学模型和跟踪误差模型；其次,设计了转速有限时间控制和线速度滑模控制的轨迹跟踪控制律,并给出了考虑运动受限作用下的控制律修正表达式；最后,基于MATLAB对所提控制律进行仿真,对比分析了不考虑运动受限情况下跟踪控制效果;结果表明,设计的跟踪控制律能够实现履带式移动机器人对圆轨迹的有效跟踪,且考虑运动受限作用的控制律更加符合实际;文章研究分析了运动受限作用对于移动机器人轨迹跟踪控制的影响,分析结果对其他移动机器人的运动控制研究具有参考价值。     

Moving grid method for numerical simulation of stratified flows

We develop a second‐order accurate Navier–Stokes solver based on r‐adaptivity of the underlying numerical discretization. The motion of the mesh is based on the fluid velocity field; however, certain adjustments to the Lagrangian velocities are introduced to maintain quality of the mesh. The adjustments are based on the variational approach of energy minimization to redistribute grid points closer to the areas of rapid solution variation. To quantify the numerical diffusion inherent to each method, we monitor changes in the background potential energy, computation of which is based on the density field. We demonstrate on a standing interfacial gravity wave simulation how using our method of grid evolution decreases the rate of increase of the background potential energy compared with using the same advection scheme on the stationary grid. To further highlight the benefit of the proposed moving grid method, we apply it to the nonhydrostatic lock‐exchange flow where the evolution of the interface is more complex than in the standing wave test case. Naive grid evolution based on the fluid velocities in the lock‐exchange flow leads to grid tangling as Kelvin–Helmholtz billows develop at the interface. This is remedied by grid refinement using the variational approach. Copyright © 2012 John Wiley & Sons, Ltd.     

Non-linear global dynamics of an axially moving plate

In the present study, the geometrically non-linear dynamics of an axially moving plate is examined by constructing the bifurcation diagrams of Poincaré maps for the system in the sub and supercritical regimes. The von Kármán plate theory is employed to model the system by retaining in-plane displacements and inertia. The governing equations of motion of this gyroscopic system are obtained based on an energy method by means of the Lagrange equations which yields a set of second-order non-linear ordinary differential equations with coupled terms. A change of variables is employed to transform this set into a set of first-order non-linear ordinary differential equations. The resulting equations are solved using direct time integration, yielding time-varying generalized coordinates for the in-plane and out-of-plane motions. From these time histories, the bifurcation diagrams of Poincaré maps, phase-plane portraits, and Poincaré sections are constructed at points of interest in the parameter space for both the axial speed regimes.     

Simulation of three‐dimensional flows over moving objects by an improved immersed boundary–lattice Boltzmann method

An improved immersed boundary–lattice Boltzmann method (IB–LBM) developed recently [28] was applied in this work to simulate three‐dimensional (3D) flows over moving objects. By enforcing the non‐slip boundary condition, the method could avoid any flow penetration to the wall. In the developed IB–LBM solver, the flow field is obtained on the non‐uniform mesh by the efficient LBM that is based on the second‐order one‐dimensional interpolation. As a consequence, its coefficients could be computed simply. By simulating flows over a stationary sphere and torus [28] accurately and efficiently, the proposed IB–LBM showed its ability to handle 3D flow problems with curved boundaries. In this paper, we further applied this method to simulate 3D flows around moving boundaries. As a first example, the flow over a rotating sphere was simulated. The obtained results agreed very well with the previous data in the literature. Then, simulation of flow over a rotating torus was conducted. The capability of the improved IB–LBM for solving 3D flows over moving objects with complex geometries was demonstrated via the simulations of fish swimming and dragonfly flight. The numerical results displayed quantitative and qualitative agreement with the date in the literature. Copyright © 2011 John Wiley & Sons, Ltd.     

The Calculus of Moving Surfaces and Laplace Eigenvalues on an Ellipse with Low Eccentricity

Our goal is to demonstrate the utility of the calculus of moving surfaces (CMS) in boundary variation problems. We discuss the relative advantages of the CMS compared to the alternative approach of interior variations. We illustrate the technique by calculating the two leading terms of a power series for the Laplace eigenvalues on an ellipse with semi-axes 1 + a and 1 + b, where a and b are small. We compare the CMS estimates with those obtained by the conventional finite element method with Richardson extrapolation. The comparison confirms the cubic rate of convergence for the CMS estimates.     

基于小波高频距离像的红外小目标检测

针对远距离复杂背景下红外小目标检测问题,本文提出了一种基于小波高频距离像的方法。该方法首先将处理空间变换到小波域,通过分析残留背景、目标和噪声系数在高频子带的差异,定义基于邻域均值的子带系数表达形式,构造高频子带系数的中心向量,对小波高频图像进行综合形成距离像,得到红外复杂背景的抑制结果。在此基础上,利用恒虚警率算法将单帧背景抑制图像分割成候选目标、残留背景和噪声像素点。最后,在时间域基于目标运动的相关性,利用管道滤波实现红外小目标的最终检测。仿真实验结果表明,相对于经典算法,本文方法可以实现对红外复杂背景的有效抑制,增强目标信号的强度,准确稳定的从红外复杂背景中检测出小目标。