等曲率井眼中钻柱与井壁问接触力分析

建立了等曲率井眼中考虑轴向力和重力的钻柱平衡方程式，采用理论和非线性有限元的方法分析了等曲率井眼中钻柱与井壁之间的接触力。采用牛顿一拉普森方法对非线性有限元方程进行了迭代求解。要保证理论分析的精度，同样需要考虑边界条件。计算结果表明，由于外力的作用，钻柱紧贴于井壁的一侧时，钻柱的刚度对钻柱与井壁间的接触力无影响，此时，井眼曲率越大，钻柱与井壁之间的接触力越大。当外力不足以使钻柱紧贴于井壁的一侧时，钻柱的刚度对钻柱与井壁之间的接触力有影响。与理论分析相比，非线性有限元方法应用范围更广，解的精度更高。     

Multiscale geometric modeling of macromolecules II: Lagrangian representation

Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics, and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X‐ray, NMR, and cryo‐electron microscopy, and theoretical/mathematical models, such as molecular dynamics, the Poisson–Boltzmann equation, and the Nernst–Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger's functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent–solute interaction, and ion channel dynamics, whereas our coarse resolution representations highlight the compatibility of protein‐ligand bindings and possibility of protein–protein interactions. © 2013 Wiley Periodicals, Inc.     

表面活性剂体系中电荷诱导的层状相向囊泡相的转化

向一种非离子表面活性剂LA070(英文名AlcoholC12-C16Poly(1-6)Ethoxylate)复配体系LA070/C8H17OH/H2O形成的层状相中加入离子型表面活性剂使其电荷化,在电荷诱导下,双分子层的曲率发生变化,闭合形成具有黏弹性的囊泡相.离子型表面活性剂的加入量增大到一定程度时,由于反离子的屏蔽作用,囊泡结构被破坏,溶液的黏弹性消失,澄清的溶液逐渐变混浊,然后分为两相.     

Thermodynamic issues associated with combined cyclic voltammetry and wafer curvature measurements in electrolytes

A thermodynamic framework has been provided for the interpretation of combined cyclic voltammetry and surface stress measurements, the latter being obtained from wafer curvature or beam deflection measurements of a solid electrode as a function of applied potential (so-called voltstressograms). Firstly, the derivation of electrocapillarity equations for solid electrodes has been critically reviewed by starting from the Gibbs adsorption equation appropriate for solid–electrolyte interfaces. This allowed us to demonstrate the critical importance of elastic surface strain in the thermodynamic boundary conditions of the partial derivatives intervening in the interpretation of voltstressograms. From these considerations, it was shown for the first time that the electrocapillarity equations for solid electrodes are not appropriate for describing the variation of surface stress with potential obtained from wafer curvature measurements, because such measurements are intrinsically incompatible with the constant strain condition implied in the electrocapillarity equations. An alternative explanation is provided for the experimentally observed proportionality between the current density, measured in cyclic voltammograms, and the first derivative of surface stress with respect to potential, obtained from voltstressograms.     

计算富勒烯结构的新方法:曲率定理*

介绍了利用曲率定理计算富勒烯结构的方法,证明了富勒烯结构中五元环数恒为12,与传统的欧拉定理法进行了对比,凸显了曲率定理法在研究多面体结构时直观形象的特点,强调了数学方法对解决化学问题和认识化学模型的重要性。     

Twist-bend nematics,liquid crystal dimers,structure–property relations

ABSTRACT

One of the current challenges in liquid crystal science is to understand the molecular factors leading to the formation of the intriguing twist-bend nematic phase (N_TB) and determine its properties. During our earlier hunt for the N_TB phase created on cooling directly from the isotropic phase and not the nematic phase, we had prepared 30 symmetric liquid crystal dimers. These had odd spacers and methylene links to the two mesogenic groups; desirable but clearly not essential features for the formation of the N_TB. Here, we report the phases that the dimers exhibit and their transition temperatures as functions of both the lengths of the spacer and the terminal chains. In addition we describe the transitional entropies, their optical textures, the X-ray scattering patterns and the ²H NMR spectra employed in characterising the phases. All of which may lead to important properties of the twist-bend nematic phase.     

铁路道砟形态特征的统计分析与几何重构

道砟颗粒几何形态特征对其力学特性影响显著。为了量化研究铁路道砟形态特征,以真实的铁路一级碎石道砟颗粒为例,采用3D激光扫描获取道砟颗粒点云数据,引入道砟整体形态特征指标(长轴、中轴、短轴、球度指数),提出道砟局部形态特征指标(曲率指数),统计并建立上述整体和局部形态特征指标的概率密度分布函数。在此基础上,基于本征正交分解(POD)及径向基(RBF)神经网络提出了基于颗粒形态指标概率密度分布的道砟样本的重生成算法,重构道砟颗粒样本库。采用上述重生成算法分别重构了600及4 000个颗粒道砟,结果表明:重构道砟样本形态特征指标的统计分布结果均与真实扫描试样结果接近,证明该方法能够快速实现基于颗粒形态指标概率密度分布的任意数量道砟样本的建立。     

基于网格遍历曲率线的曲面网格重划算法

提出了一种基于网格遍历曲率线的曲面网格重划算法,采用局部一般二次曲面法估算离散曲面的微分信息,建立顶点的主曲率场.根据顶点的主曲率及主方向获得模型的网格遍历曲率线,从而实现曲面网格重划.该算法可在获取离散网格微分信息的基础上对模型进行重划,并动态控制重划网格的密度,从而大幅简化逆向领域中曲面重构的步骤.     

Mean curvatures and Gauss maps of a pair of isometric helicoidal and rotation surfaces in Minkowski 3-space

It is proved that, in Minkowski 3-space, a CSM-helicoidal surface, i.e., a helicoidal surface under cubic screw motion is isometric to a rotation surface so that helices on the helicoidal surface correspond to parallel circles on the rotation surface. By distinguishing a CSM-helicoidal surface as three cases, that is, the case of type I, the case of type II with negative and positive pitch, the relations are discussed between the mean curvatures or Gauss maps of a pair of isometric helicoidal and rotation surface. A CSM-helicoidal surface of Case 1 or 2 and its isometric rotation surface with null axis have same mean curvatures (resp. Gauss maps) if and only if they are minimal. But each pair of isometric CSM-helicoidal surface of Case 3 and rotation surface with spacelike axis have different Gauss maps.