非结构动网格在可动边界问题中的应用研究

本文对用于非结构动网格生成的弹簧近似方法进行了研究。通过采用顶点弹簧方法,分析研究了弹簧倔强系数的取值,同时通过引入挤压倔强系数和边界修正,对标准弹簧近似方法进行了改进。改进后的方法可以大大提高网格变形能力和网格质量。应用本文发展的非结构动网格生成方法并通过耦合求解基于(ArbitraryLagrangian-Eulerian ALE)描述的Euler方程,模拟了谐和振动NACA0012翼型及M6机翼的跨音速绕流,计算结果与参考文献提供的结果及实验结果吻合良好。     

Application de méthodes intégrales au calcul du bruit de cavitéComputation of cavity noise using integral methods

A direct numerical simulation of the sound radiated by a flow over a 2-D subsonic cavity is performed using Computational AeroAcoustics tools. The simulation is consistent with Karamcheti's experiments. The numerical results are used as a reference to study two integral formulations: the Ffowcs Williams and Hawkings acoustic analogy and a wave extrapolation method based on FW-H equation. These hybrid approaches agree with the direct computation by DNS data and provide powerful tools to compute far-field noise. To cite this article: X. Gloerfelt et al., C. R. Mecanique 330 (2002) 13–20     

GENERAL REYNOLDS ANALOGY RELATION ON BLUNT-NOSED BODIES$^{\bf 1)}$

钝头体壁面的摩阻和热流分布规律不同,平板流动中的雷诺比拟关系在钝头体壁面失效. 文章在前期高超声速广义雷诺比拟理论研究工作的基础上,利用数值仿真的方法对不同外形和来流参数条件下的钝头体广义雷诺比拟关系开展进一步研究. 通过建立钝头体绕流边界层的理论分析模型,得到了钝头体壁面雷诺比拟系数的线性分布预示公式. 采用数值求解 N-S 方程的方法,计算了圆柱和幂次体壁面的摩阻和热流以及二者之间的比拟系数. 通过与前期数值和理论结果对比,以及计算收敛性和网格无关性检验,对数值方法进行了验证. 通过在不同雷诺数 ($Re_\infty = 3.98\times 10^2 \sim 1.59\times 10^6$) 和马赫数 ($M_\infty = 3\sim 12$) 条件下的计算结果对比分析雷诺比拟系数的分布,总结了钝头体中广义雷诺比拟关系受外形和来流条件的影响,评估了广义雷诺比拟理论的适用性. 研究发现,在较高雷诺数条件下,离驻点较远的下游 ($\theta > 60^\circ$) 部位,雷诺比拟系数的分布不同程度地偏离理论预示的线性规律. 相比于圆柱外形,幂次体壁面的雷诺比拟系数分布的线性规律相对较好,其分布斜率略低于圆柱壁面的结果. 研究表明,如果针对实际外形和雷诺数进行适当修正,可以提高广义雷诺比拟关系的预示精度.     

Three-dimensional shapes of looped DNA

The equilibrium shapes of a closed DNA are investigated by employing a model of a thin, homogeneous, isotropic, linearly elastic rod of circular cross section. An equilibrium configuration of such an initially straight and twisted rod, submitted to external forces and moments at its ends only, obeys equations identical to those governing the rotation of a symmetric gyrostat spinning about a fixed point in a gravitational field (the Kirchhoff analogy). To represent the equilibrium of the looped DNA, the model rod must be smoothly closed into a ring. The corresponding BVP results in a system of four nonlinear equations with respect to four parameters. The perturbation analysis and the parameter continuation approach are used to find nonplanar solutions. The conformation change is discussed for various values of parameters.

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Sommario Si analizzano le configurazioni di equilibrio di una molecola chiusa di DNA per mezzo di un modello di trave sottile, omogenea, isotropa e linearmente elastica, con sezione circolare. La configurazione di equilibrio di una tale trave, inizialmente rettilinea e poi ritorta, soggetta a forze esterne e momenti solo alle sue estremità, è descritta dalla soluzione di equazioni identiche a quelle che governano il moto di un girostato simmetrico in rotazione intorno ad un punto fisso in un campo gravitazionale (l'analogie di Kirchhoff). Per poter rappresentare l'equilibrio del cappio di DNA, il modello di trave deve essere racchiuso in un anello, Il corrispondente problema al contorno consiste in un sistema di quattro equazioni nonlineari rispetto a quattro parametri. Le soluzioni del problema fuori del piano vengono ottenute tramite l'analisi perturbativa ed una procedura di continuazione al variare di un parametro. Si discutono le modifiche di configurazione del sistema per diversi valori dei parametri.

     

Review of validation and reporting of non-targeted fingerprinting approaches for food authentication

Food fingerprinting approaches are expected to become a very potent tool in authentication processes aiming at a comprehensive characterization of complex food matrices. By non-targeted spectrometric or spectroscopic chemical analysis with a subsequent (multivariate) statistical evaluation of acquired data, food matrices can be investigated in terms of their geographical origin, species variety or possible adulterations. Although many successful research projects have already demonstrated the feasibility of non-targeted fingerprinting approaches, their uptake and implementation into routine analysis and food surveillance is still limited. In many proof-of-principle studies, the prediction ability of only one data set was explored, measured within a limited period of time using one instrument within one laboratory. Thorough validation strategies that guarantee reliability of the respective data basis and that allow conclusion on the applicability of the respective approaches for its fit-for-purpose have not yet been proposed. Within this review, critical steps of the fingerprinting workflow were explored to develop a generic scheme for multivariate model validation. As a result, a proposed scheme for “good practice” shall guide users through validation and reporting of non-targeted fingerprinting results. Furthermore, food fingerprinting studies were selected by a systematic search approach and reviewed with regard to (a) transparency of data processing and (b) validity of study results. Subsequently, the studies were inspected for measures of statistical model validation, analytical method validation and quality assurance measures. In this context, issues and recommendations were found that might be considered as an actual starting point for developing validation standards of non-targeted metabolomics approaches for food authentication in the future. Hence, this review intends to contribute to the harmonization and standardization of food fingerprinting, both required as a prior condition for the authentication of food in routine analysis and official control.     

Equivalent dynamic thermoviscoelastic modeling of ionic polymers

Ionic polymers have attracted considerable attention due to their interesting sensing and actuating behavior which make them a proper choice for use in a wide range of applications including biomimetic robots and biomedical devices. The complicated electro‐chemo‐mechanical dynamics of ionic polymer actuators is a drawback for their applications in functional devices. Therefore, establishing a mathematical model which could effectively predict the actuators' dynamic behavior is of great interest. In this paper, a mathematical model, named equivalent dynamic thermoviscoelastic (EDT) model, based on thermal analogy and beam theory is proposed for dynamic analysis of bending‐type ionic polymer actuators. Then, the developed model is extended for analyzing the performance of the actuator in finite element software. The finite element analysis of the actuator enables consideration of material and geometric nonlinearities and facilitates modeling of functional devices based on the ionic polymer actuators. The proposed modeling approach is validated using experimental data. Copyright © 2015 John Wiley & Sons, Ltd.     

A simple method for water discrimination based on an light emitting diode (LED) photometer

This work describes the use of a multi-LED photometer for discrimination of mineral water samples, employing chromogenic reagents and chemometric techniques. Forty-five water samples (including 7 different brands of mineral water and samples of deionised, distilled and tap waters) were analysed in a monosegmented flow system, using three different chromogenic reagents (murexide, PAR and eriochrome black T) in a pH 10.0 NH₃/NH₄⁺ buffer in separate injections. Measurements were performed at 470, 500, 525, 562, 590, 612, 636 and 654 nm. Analyses were carried out using PCA, employing data sets including absorbance values obtained with one, two or all three reagents, which comprise 8, 16 or 24 variables, respectively. The best result was obtained with the data set from murexide and eriochrome black T, providing a clear distinction between 9 groups (distilled and deionised waters were classified in the same group). Based on the loading values, it was possible to select four wavelengths (470, 500, 590 and 654 nm) that provided a similar discrimination. With the use of these four LED, an HCA was performed, providing discrimination between 8 groups at a similarity level of 0.88. A model based on SIMCA allowed correctly classifying 94% of the samples. The discrimination between different groups is due to the metal ion contents in the water samples, mainly calcium and magnesium. Therefore, the use of common complexing reagents, such as murexide and erichrome black T, a multi-LED photometer and chemometric techniques provide an easy and simple method for water discrimination.     

Large eddy simulation of compressible channel flow

Astract The present study is a contribution to the analysis of wall-bounded compressible flows, including a special focus on wall modeling for compressible turbulent boundary layer in a plane channel. large eddy simulation (LES) of fully developed isothermal channel flows at Re = 3,000 and Re = 4,880 with a sufficient mesh refinement at the wall are carried out in the Mach number range 0.3 ≤ M ≤ 3 for two different source term formulations: first the classical extension of the incompressible configuration by Coleman et al. (J. Fluid Mech. 305:159–183, 1995), second a formulation presently derived to model both streamwise pressure drop and streamwise internal energy loss in a spatially developed compressible channel flow. It is shown that the second formulation is consistent with the spatial problem and yields a much stronger cooling effect at the wall than the classical formulation. Based on the present LES data bank, compressibility and low Reynolds number effects are analysed in terms of coherent structure and statistics. A study of the universality of the structure of the turbulence in non-hypersonic compressible boundary layers (M≤5) is performed in reference to Bradshaw (Annu. Rev. Fluid. Mech. 9:33–54, 1977). An improvement of the van Driest transformation is proposed; it accounts for both density and viscosity changes in the wall layer. Consistently, a new integral wall scaling (y ^c+) which accounts for strong temperature gradients at the wall is developed for the present non-adiabatic compressible flow. The modification of the strong Reynolds analogy proposed by Huang et al. (J. Fluid Mech. 305:185–218, 1995) to model the correlation between velocity and temperature for non-adiabatic wall layers is assessed on the basis of a Crocco–Busemann relation specific to channel flow. The key role of the mixing turbulent Prandtl number Pr _m is pointed out. Results show very good agreement for both source formulations although each of them involve a very different amount of energy transfer at the wall. The present work was performed within the framework of the French–German research initiative “large eddy simulation of complex flows’ (UR 507). The computing resources were provided by IDRIS-France. The authors gratefully acknowledge the financial support from the Centre National de la Recherche Scientifique (CNRS), the Centre d’été Mathématique de Recherche Avancée en Calcul Scientifique (CEMRACS) and the Direction Générale de l’Armement (DGA/D4S).     

Development of a new mixing rheometer for studying rheological behaviour of concentrated energetic suspensions

The overall objective is to present a procedure based on a Couette analogy to quantitatively analyse torque/rotor speed data and extract viscosity/shear-rate curves using a non-conventional geometry. Diphasic flows of energetic concentrated suspensions of melt-cast insensitive explosives exhibit particular rheological properties. The characterization of these complex fluids may be a challenging task when conventional rheometers are used. Placing these dense suspensions in a classic cylindrical geometry may lead to a partial destruction of the internal fluid structure. To prevent that, a “RheoXF” a mixer-type rheometer has been developed: it consists of a mixing device with quite a complex geometry rotating in a cylindrical tank. To evaluate the rheological constants (virtual radius, virtual shear rate and stress constants) of thus mixing rheometer, we used five Newtonian fluids. After this calibration, the rheological characterizations were carried out on five formulations. The unique parameter which changes in these formulations is the batch's origin of a secondary explosive: the 3-nitro-1,2,4-triazole-5-one. These energetic particles differ by their morphology, maximum packing density and may be by their process synthesis. After having determined pseudoplastic parameters, a correlation has been made with the evolution of maximum packing density values calculated with De Larrard model.     

簇模型选取的配位数原则——CO/ZnO吸附体系的ab initio研究

提出并以ZnO为例初步考察了用于金属氧化物的簇模型选取的配位数原则,即尽可能选取边界悬空键总数最少的簇模型,使簇模型"边界效应"尽可能低.在此基础上研究了CO在一系列按配位数原则选取的(ZnO)n表面簇模型上的吸附行为.结果表明,配位数原则有效地缩小了簇模型的选取范围;依配位数原则确立的ZnO表面簇模型,能够对CO/ZnO吸附体系给出合理的定性解释.计算还表明,考虑相关效应有助于进一步改善计算结果.