超声波燃气表矩形流道的雷诺修正系数仿真研究

在超声波流量计测量技术中, 雷诺修正系数相关的研究对于提高计量精度有重要作用. 为研究矩形流道的雷诺修正系数与雷诺数的关系, 对矩形流道在常温常压流量较小情况下进行仿真, 结果发现: 矩形流道层流状态下的雷诺修正系数与雷诺数呈线性相关. 保持压强、体积流量不变, 在不同温度下进行仿真及拟合, 结果表明: 在不同温度下雷诺修正系数与雷诺数的线性关系依然满足. 在上述实验基础上, 对矩形流道湍流状态下的雷诺修正系数与雷诺数关系进行研究, 通过改变温度、压强和体积流量进行仿真及拟合发现, 矩形流道湍流状态下雷诺修正系数与雷诺数呈非线性相关.     

Comparison study of exchange-correlation functionals on prediction of ground states and structural properties

Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote.     

电感耦合等离子体质谱(ICP-MS)法测定地质样品中Cu和Zn的干扰研究

电感耦合等离子体质谱法（ICP-MS）标准模式测定地质样品中Cu和Zn时,样品溶液中Ti在高温下易形成TiO+和 TiOH+离子产生重叠干扰,使测定值偏离真值而影响测定结果。采用氢氟酸-高氯酸-硝酸消解、王水复溶样品,通过多级在线校正46Ti16O+,消除TiO+和 TiOH+离子重叠干扰,研究了单质Ti与46Ti16O+、质荷比63、64、65、66离子间存在的关系,建立了一种电感耦合等离子体质谱(ICP-MS)法测定地质样品中Cu和Zn的分析方法。实验结果表明：单质Ti对Cu和Zn产生的干扰值与其质量浓度呈非简单的正相关性,TiO+产生的干扰离子质荷比65离子强度比63高,质荷比64离子强度比66 高; 46Ti16O+对质荷比63、66离子干扰增量值与单质Ti质量浓度变化无关;62Ni对46Ti16O+产生同量异位素重叠干扰,测定值须校正来自62Ni的贡献。ICP-MS测定地质样品中Cu和Zn时应选择测量同位素63Cu和66Zn,其检出限（n=7）分别为0.35 μg/g和0.63 μg/g。经有证标准物质验证,测定值与认定值吻合,准确度（RE）<8.6%,精密度（RSD,n=6）<5%。本方法适用于ICP-MS测定地质样品中Cu和Zn的质谱干扰消除,满足地质分析要求。     

Calibration transfer employing univariate correction and robust regression

This paper proposes a new method for calibration transfer, which was specifically designed to work with isolated variables, rather than the full spectrum or spectral windows. For this purpose, a univariate procedure is initially employed to correct the spectral measurements of the secondary instrument, given a set of transfer samples. A robust regression technique is then used to obtain a model with low sensitivity with respect to the univariate correction residuals. The proposed method is employed in two case studies involving near infrared spectrometric determination of specific mass, research octane number and naphthenes in gasoline, and moisture and oil in corn. In both cases, better calibration transfer results were obtained in comparison with piecewise direct standardization (PDS). The proposed method should be of a particular value for use with application-targeted instruments that monitor only a small set of spectral variables.     

Nouvelle approche pour la discrétisation de flux diffusifs en volumes finis à forte obliquité

We propose a new approach for the discretization of diffusive flux on a non orthogonal mesh based on the Deferred correction introduced by Peric. This new method is applied successfully to the solution of a Poisson problem in quadrangular domains meshed with very distorted control volumes. The interest of this approach lies in the fact that the precision of the used schemes is conserved despite meshes distortion level. The comparative study of the value of the spectral radius of iteration matrix enables us to explain why our Deferred correction approach is better than that of Peric, which diverges on highly skewed meshes. To cite this article: Y.M. Ahipo, Ph. Traore, C. R. Mecanique 334 (2006).     

完整系统的多刚体系统离散时间传递矩阵法研究

基于多刚体系统离散时间传递矩阵法，采用提高计算精度的方法，研究具有大运动、非线性特征的完整系统在平面、空间中的动力学响应。提出了对部分变量重新赋值的违约修正方法，计算机仿真表明了其有效性。多刚体系统离散时间传递矩阵法不须进行违约修正，体现了该方法建模灵活性较强、程式化程度较高的优点。     

Lyapunov stable penalty methods for imposing holonomic constraints in multibody system dynamics

This paper presents stability and convergence results on a novel approach for imposing holonomic constraints for a class of multibody system dynamics. As opposed to some recent techniques that employ a penalty functional to approximate the Lagrange multipliers, the method herein defines a penalized dynamical system using penalty-augmented kinetic and potential energies, as well as a penalty dependent constraint violation dissipation function. In as much as the governing equations are not typically cocreive, the usual convergence criteria for linear variational boundary value problems are not directly applicable. Still numerical simulations by various researchers suggest that the method is convergent and stable. Despite the fact that the governing equations are nonlinear, the theoretical convergence of the formulation is guaranteed if the multibody system is natural and conservative. Likewise, stability and asymptotic stability results for the penalty formulation are derived from well-known stability results available from classical mechanics. Unfortunately, the convergence theorem is not directly applicable to dissipative multibody systems, such as those encountered in control applications. However, it is shown that the approximate solutions of a typical dissipative system converge to a nearby collection of trajectories that can be characterized precisely using a Lyapunov/Invariance Principle analysis. In short, the approach has many advantages as an alternative to other computational techniques:

Research on improving the accuracy of near infrared non-invasive hemoglobin detection

To optimize the accuracy of near-infrared non-invasive hemoglobin (Hb) clinical detection, high-performance instrument and prepossessing algorithm have been investigated. A near-infrared spectrophotometric system was constructed adopting InGaAs detector array with 16 pixels and plane grating spectrometer to obtain high signal noise ratio (SNR) spectral data. In our experiment, we applied the device independently to collect spectra data from 91 volunteers’ fingertips non-invasively. Two prediction tests were conducted to verify the effects of preprocessing algorithms improving the accuracy of near-infrared Hb detection and exclude the occasionality of satisfactory results in a single trial. Our non-invasive Hb detection methods were based on partial least squares (PLS). In each test, PLS, MSC coupled with PLS, DOSC coupled with PLS, three methods for non-invasive Hb detection, were analyzed respectively. The results of two trials showed that only DOSC & PLS performed excellently in both predictive ability and stability, obviously better than other two methods. Relative RMSEP was 6.16% in predicting test 1, 6.08% in predicting test 2, almost reaching the requirements of clinical application. It indicates that our independent-developed high-performance instrument and the method DOSC coupled with PLS are promising in non-invasive Hb detection clinical application.     

A defect correction approach to turbulence modeling

A method for resolving turbulent flow problems is presented, aiming at competing with the existing mathematical tractable Approximate Deconvolution Models in terms of accuracy, and outperforming these models in terms of the computational time needed. Full numerical analysis is performed, and the method is shown to be stable, easy to implement and parallelize, and computationally fast. The proposed method employs the defect correction approach to solve spatially filtered Navier–Stokes equations. A simple numerical test is provided that compares the method against the approximate deconvolution turbulence model (ADM). When resolving a fluid flow at high Reynolds number, the numerical example verifies the key feature of the method: while having the accuracy comparable to that of the ADM, the method computes in less than 80% of the time needed for the turbulence model—even before the parallelization.© 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 268–288, 2015     

Entropic information for travelling solitons in Lorentz and CPT breaking systems

In this work we group four research topics apparently disconnected, namely solitons, Lorentz symmetry breaking, supersymmetry, and entropy. Following a recent work (Gleiser and Stamatopoulos, 2012), we show that it is possible to construct in the context of travelling wave solutions a configurational entropy measure in functional space, from the field configurations. Thus, we investigate the existence and properties of travelling solitons in Lorentz and CPT breaking scenarios for a class of models with two interacting scalar fields. Here, we obtain a complete set of exact solutions for the model studied which display both double and single-kink configurations. In fact, such models are very important in applications that include Bloch branes, Skyrmions, Yang–Mills, Q-balls, oscillons and various superstring-motivated theories. We find that the so-called Configurational Entropy (CE) for travelling solitons shows that the best value of parameter responsible to break the Lorentz symmetry is one where the energy density is distributed equally around the origin. In this way, the information-theoretical measure of travelling solitons in Lorentz symmetry violation scenarios opens a new window to probe situations where the parameters responsible for breaking the symmetries are arbitrary. In this case, the CE selects the best value of the parameter in the model.