普朗克常量测定系统中实验数据的采集和处理

介绍了在光电效应实验系统改造中，关于实验数据的采集和处理方法。     

Parameter estimation of ordinary differential equations

This paper addresses the development of a new algorithm forparameter estimation of ordinary differential equations. Here,we show that (1) the simultaneous approach combined with orthogonalcyclic reduction can be used to reduce the estimation problemto an optimization problem subject to a fixed number of equalityconstraints without the need for structural information to devisea stable embedding in the case of non-trivial dichotomy and(2) the Newton approximation of the Hessian information of theLagrangian function of the estimation problem should be usedin cases where hypothesized models are incorrect or only a limitedamount of sample data is available. A new algorithm is proposedwhich includes the use of the sequential quadratic programming(SQP) Gauss–Newton approximation but also encompassesthe SQP Newton approximation along with tests of when to usethis approximation. This composite approach relaxes the restrictionson the SQP Gauss–Newton approximation that the hypothesizedmodel should be correct and the sample data set large enough.This new algorithm has been tested on two standard problems.     

利用Matlab语言对物理实验数据进行处理

本文讨论利用Matlab语言通过最小二乘法对物理实验数据进行处理的优点。     

LPV identification of a turbocharged diesel engine

This work proposes a methodology of identifying linear parameter varying (LPV) models for nonlinear systems. First, linear local models in some operating points, by applying standard identifications procedures for linear systems in time domain, are obtained. Next, a LPV model with linear fractional dependence (LFR) with respect to measured variables is fitted with the condition of containing all the linear models identified in previous step (differential inclusion). The fit is carried out using nonlinear least squares algorithms. Finally, this identification methodology will then be applied to a nonlinear turbocharged diesel engine.     

基于非线性最小二乘法的多光谱拟合程序：应用于12CH4谱线参数分析

精确的甲烷分子实验光谱参数在大气科学和天文探测等领域有着广泛的应用,特别是谱线的展宽系数及其温度依赖系数对于甲烷分子浓度廓线的研究尤为重要。精密的实验测量是获得准确谱线参数的重要手段。采用实验测量获取谱线参数时,需要在已知实验条件（浓度,温度,总压力,吸收光程以及气体分子种类的混合比等）的情况下,多次扫描同一波段范围得到多组实验室吸收光谱,然后利用基于非线性最小二乘法的拟合程序处理这些光谱,反演获得所需要的光谱参数。然而,一般常用的单光谱拟合程序处理实验光谱既费时又容易引起拟合过程中的误差传递。针对此问题,采用最小二乘拟合技术和Levenberg-Marquardt迭代算法编写了一款适用于处理由可调谐半导体激光吸收光谱技术（TDLAS）所获得的吸收光谱的多光谱拟合程序。该程序可同时处理多张实验光谱,并基于全局拟合方法获得一套光谱参数。详细介绍了该程序的原理、使用方法及数据处理过程。利用多光谱拟合程序中的Voigt线型处理了2 958～2 959 cm-1波数内甲烷（12CH₄）分子6条跃迁谱线的实验光谱,获得了296.0,251.0,223.0,198.0和173.0 K共5组温度下12CH₄分子6条谱线的空气展宽系数。与之前文献报道的该波段内采用单光谱拟合程序得到的相应数据对比结果表明：获得的各温度下的空气展宽系数与参考文献中相应数据差值的百分比处在-4.97%~1.58%之间,两者数据整体符合较好,并且在30组对比数据中,有4组由单光谱拟合程序得到的空气展宽系数的误差值小于由多光谱拟合程序得到的相应数值,有2组数据显示由两种方法获得的误差值相等,其余24组由多光谱拟合程序获得的数据拟合误差小于由单光谱拟合程序获得的相应数值,表明多光谱拟合程序具有良好的可靠性,适用于气体分子吸收光谱的处理。     

Parabola-Hyperbola P-H kinetic model for NR sulphur vulcanization

A Parabola-Hyperbola (P-H) kinetic model for NR sulphur vulcanization is presented. The idea originates from the fitting composite Parabola-Parabola-Hyperbola (P-P-H) function used by the authors in [1,2] to approximate experimental rheometer curves with the knowledge of a few key parameters of vulcanization, such as the scorch point, initial vulcanization rate, 90% of vulcanization, maximum point and reversion percentage. After proper normalization of experimental data (i.e. excluding induction and normalizing against maximum torque), the P-P-H model reduces to the discussed P-H composite function, which is linked to the kinetic scheme originally proposed by Han and co-workers [3]. Typically, it is characterized by three kinetic constants, where classically the first two describe incipient curing and stable/instable crosslinks and the last reproduces reversion.The powerfulness of the proposed approach stands into the very reduced number of input parameters required to accurately fit normalized experimental data (i.e. rate of vulcanization at scorch, vulcanization at 90%, maximum point and reversion percentage), and the translation of a mere geometric data-fitting into a kinetic model. Kinetic constants knowledge from simple geometric fitting allows characterizing rubber curing also at temperature different from those experimentally tested.The P-H model can be applied also in the so-called backward direction, i.e. assuming Han's kinetic constants known from other models and deriving the geometric fitting parameters as result.Some existing experimental data available, relying into rheometer curves conducted at 5 different temperatures on the same rubber blend are used to benchmark the P-H kinetic approach proposed, in both backward and forward direction. Very good agreement with previously presented kinetic approaches and experimental data is observed.     

添加剂与RDX的界面作用及对撞击感度的影响研究

研究了石蜡、硬脂酸等添加剂与RDX的界面作用及其对撞击感度的影响。得出添加剂对RDX(Hexogen)的铺展系数越大,钝感效果越好的结论,并获得了铺展系数与特性落高的经验函数关系。     

Cross fitted partial least squares (CF‐PLS): an alternative algorithm for a more reliable PLS

This paper presents a modified version of the NIPALS algorithm for PLS regression with one single response variable. This version, denoted a CF‐PLS, provides significant advantages over the standard PLS. First of all, it strongly reduces the over‐fit of the regression. Secondly, R² for the null hypothesis follows a Beta distribution only function of the number of observations, which allows the use of a probabilistic framework to test the validity of a component. Thirdly, the models generated with CF‐PLS have comparable if not better prediction ability than the models fitted with NIPALS. Finally, the scores and loadings of the CF‐PLS are directly related to the R², which makes the model and its interpretation more reliable. Copyright © 2011 John Wiley & Sons, Ltd.     

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.