运动副摩擦参数的识别方法研究

采用粘性 库仑摩擦模型建立了单自由度回转机械系统运动微分方程,分别从时域和频域角度提出了两种识别运动副摩擦参数的方法。仿真结果表明,两种方法在较高信噪比下均能有效地辨识出库仑摩擦和粘性摩擦参数,其中频域法比时域法具有更高的参数估计精度。对电机驱动的单自由度转动机械系统实验装置的运动副建立了相应的摩擦模型,实验结果表明:在不同试验条件下两种方法计算得到的库仑和粘性摩擦参数具有较好重复性,从而验证了本文参数辨识方法的正确性。     

Partial Uniqueness and Obstruction to Uniqueness in Inverse Problems for Anisotropic Elastic Media

We consider the inverse problem of identifying the density and elastic moduli for three-dimensional anisotropic elastic bodies, given displacement and traction measurements made at their surface. These surface measurements are modelled by the dynamic Dirichlet-to-Neumann map on a finite time interval. For linear or nonlinear anisotropic hyperelastic bodies we show that the displacement-to-traction surface measurements do not change when the density and elasticity tensor in the interior are transformed tensorially by a change of coordinates fixing the surface of the body to first order. Our main tool, a new approach in inverse problems for elastic media, is the representation of the equations of motion in a covariant form (following Marsden and Hughes, 1983) that preserves the underlying physics.In the case of classical linear elastodynamics we then investigate how the type of anisotropy changes under coordinate transformations. That is, we analyze the orbits of general linear, anisotropic elasticity tensors under the action by pull-back of diffeomorphisms that fix the surface of the elastic body to first order, and derive a pointwise characterization of parts of the orbits under this action. For example, we show that the orbit of isotropic elastic media, at any point in the body, consists of some transversely isotropic and some orthotropic elastic media. We then derive the first uniqueness result in the inverse problem for anisotropic media using surface displacement-traction data: uniqueness of three elastic moduli for tensors in the orbit of isotropic elasticity tensors. ^†Partially supported by an MSRI Postdoctoral Fellowship. Research at MSRI is supported in part by NSF grant DMS-9850361. This work was conducted while the first author was a Gibbs Instructor at Yale University. ^‡Partially supported by an MSRI Postdoctoral Fellowship, and by NSF grant DMS-9801664 (9996350).     

On the steady simple shear flows of the one-mode Giesekus fluid

Analytical solutions for the plane Couette flow and the plane Poiseuille flow of the one-mode Giesekus fluid without any retardation time have been obtained by considering the domain of definition for each of the two branch solutions which arise due to the presence of the quadratic stress terms in the constitutive equations. For each fixed value of the mobility parametera, the limiting value of the Weissenberg number for the upper branch solution, i.e., the physically realistic solution is determined in terms of the corresponding dimensionless shear stress for the plane Couette flow and in terms of the corresponding dimensionless pressure gradient for the plane Poiseuille flow. In the case of the plane Couette flow, it is shown that fora falling in the range 0a1/2 only the physically realistic solution exists while for 1/2<a 1 a nonphysical solution coexists with the realistic one. In the case of the plane Poiseuille flow, it is shown that the non-physical solution cannot even exist around the center plane of the channel, and the effects of the mobility parameter and the dimensionless pressure gradient on the flow variables are investigated. Possible extensions of the present approach to other steady simple shear flows with and without the introduction of the retardation time are also discussed.     

Dendronized Hyperbranched Macromolecules: Soft Matter with a Novel Type of Segmental Distribution

Dendronization of a hyperbranched polyester with different generation dendrons leads to pseudo‐dendritic structures. The hyperbranched core is modified by the divergent coupling of protected monomer units to the functional groups. Compared to dendrimers, the synthetic effort is significantly less, but the properties are very close to those of high‐generation dendrimers. The number of functional groups, molar mass, and rheology behavior even in the early generation (G1–G4) pseudo‐dendrimers strongly resembles the behavior of dendrimers in higher generations (G5–G8). Comparison of the segmental and internal structure with perfect dendrimers is performed using SANS, dynamic light scattering and viscosity analysis, microscopy and molecular dynamics simulation. The interpretation of the results reveals unique structural characteristics arising from lower segmental density of the core, which turns into a soft nano‐sphere with a smooth surface even in the first generation.     

High‐temperature superconductivity and long‐range order in strongly correlated electronic systems

A selective review of the question of how repulsive electron correlations might give rise to off‐diagonal long‐range order (ODLRO) in high‐temperature superconductors is presented. The article makes detailed explanations of the relevance to superconductivity of reduced electronic density matrices and how these can be used to understand whether ODLRO might arise from Coulombic repulsions in strongly correlated electronic systems. Time‐reversed electron pairs on alternant Cuprate and the iron‐based pnictide and chalcogenide lattices may have a weak long‐range attractive tail and much stronger short‐range repulsive Coulomb interaction. The long‐range attractive tail may find its origin in one of the many suggested proposals for high‐T_c superconductivity and thus has an uncertain origin. A phenomenological Hamiltonian is invoked whose model parameters are obtained by fitting to experimental data. A detailed summary is given of the arguments that such interacting electrons can cooperate to produce a superconducting state in which time‐reversed pairs of electrons effectively avoid the repulsive hard‐core of the Coulomb interaction but reside on average in the attractive well of the long‐range potential. Thus, the pairing of electrons itself provides an enhanced screening mechanism. The alternant lattice structure is the key to achieving robust high‐temperature superconductivity with dx²‐y² or sign alternating s‐wave or s± condensate symmetries in cuprates and iron‐based compounds. Some attention is also given to the question first raised by Leggett as to where the Coulombic energy is saved in the superconducting transition in cuprates. A mean‐field‐type model in which the condensate density serves as an order parameter is discussed. Many of the observed trends in the thermal properties of cuprate superconductors are reproduced giving strong support for the proposed model for high‐temperature superconductivity in such strongly correlated electronic systems. © 2015 Wiley Periodicals, Inc.     

Momentum transfer effects in near surface electron energy loss

We examine two formulations for the differential surface excitation parameter (DSEP): one provided by Tung et al. and the other given by the Chen–Kwei position‐dependent differential inverse inelastic mean free path integrated over the electron trajectory. We demonstrate that the latter converges to the former provided that the dielectric function of the solid does not depend on the momentum transfer or it depends on just the momentum transfer component parallel to the surface. Tung's DSEP represents therefore an approximation to the Chen–Kwei DSEP calculated for a dielectric function with no restrictions on the momentum dependence. The approximation is shown to work in the limit of small momentum transfer and to imply an error of 4%–5% for electrons traveling through the solid with energy E = 1 keV. Copyright © 2015 John Wiley & Sons, Ltd.     

Tutorial review on validation of liquid chromatography–mass spectrometry methods: Part I

This is the part I of a tutorial review intending to give an overview of the state of the art of method validation in liquid chromatography mass spectrometry (LC–MS) and discuss specific issues that arise with MS (and MS/MS) detection in LC (as opposed to the “conventional” detectors). The Part I briefly introduces the principles of operation of LC–MS (emphasizing the aspects important from the validation point of view, in particular the ionization process and ionization suppression/enhancement); reviews the main validation guideline documents and discusses in detail the following performance parameters: selectivity/specificity/identity, ruggedness/robustness, limit of detection, limit of quantification, decision limit and detection capability. With every method performance characteristic its essence and terminology are addressed, the current status of treating it is reviewed and recommendations are given, how to determine it, specifically in the case of LC–MS methods.     

二种求算晶体平面间距d_(hkl)的数学方法

用数学方法推导出结构化学晶体学中晶面间距的一般通式,并在此基础上推导出其他晶系的晶面间距(d(hkl))的计算表达式。     

甲氧基多溴联苯醚色谱相对保留时间的QSRR研究

基于有机化合物定量结构与色谱相对保留时间的关系,对26个甲氧基多溴联苯醚化合物进行了B3LYP/6-31G*水平上的结构优化,并在优化结构基础上进行了分子连接性指数和量子化学结构参数的提取。应用SPSS统计软件对甲氧基多溴联苯醚化合物的色谱相对保留时间与分子连接性指数进行了多元线性回归(MLR)。结果表明,三阶类分子连接性指数可以很好地表达甲氧基多溴联苯醚化合物色谱相对保留时间与结构描述符之间的定量关系。用外部测试集的方法对模型预测能力进行了验证,结果表明:所建立的QSRR模型具有较强的稳健性和预测能力。     

[C_2mim][Ala]丙氨酸离子液体水溶液粘滞流动的活化参数

在288.15-328.15 K温度范围内,测量了不同浓度的氨基酸离子液体[C_2mim][Ala]水溶液的密度和粘度,根据J ones-Dole方程得到了较大正值的粘度B系数并且dB/dT0。借助Feakins理论,计算了溶质对溶液粘滞流动活化自由能贡献Δμ_2~(≠0),根据Δμ_2~(≠0)随温度的线性变化,进而得到流动活化熵ΔS_2~(≠0)和活化焓ΔH_2~(≠0);在E yring液体粘度的过渡态理论基础上,提出了预测离子液体[C_2mim][Ala]水溶液粘度的半经验新方法,其预测值与相应的实验值很好的一致。