位错偶极子和Ⅲ型界面裂纹的干涉效应

研究了多晶体材料中螺型位错偶极子和界面裂纹的弹性干涉作用.利用复变函数方法,得到了该问题复势函数的封闭形式解答.求出了由位错偶极子诱导的应力场和裂纹尖端应力强度应子,分析了偶极子的方向,偶臂和位置以及材料失配对应力强度因子的影响.推导了作用在螺型位错偶极子中心的像力和力偶矩,并讨论了界面裂纹几何条件和不同材料特征组合对位错偶极子平衡位置的影响规律.结果表明,裂纹尖端的螺型位错偶极子对应力强度因子会产生强烈的屏蔽或反屏蔽效应.同时,界面裂纹对螺型位错偶极子在材料中运动有很强的扰动作用.     

长中半径水平井钻柱接触摩擦阻力分析

用整体钻柱静力模型和间隙元法,分析了长中半径水平井钻柱的接触非线性问题,算出了钻柱与井壁接触摩擦阻力的分布,为水平井井眼轨道设计和施工提供了重要参数。     

二硫化钼表面氧化行为的研究（Ⅱ）─—二硫化钼摩擦表面氧化与电子转移的研究

利用电子自旋共振谱和Ｘ射线光电子能谱研究了二硫化钼ＭｏＳ＿２摩擦表面的氧化和电子转移，发现ＭｏＳ＿２在摩擦过程中是以Ｍｏ￣（４＋）经由Ｍｏ￣（５＋）过渡态继而与氧作用生成稳定的Ｍｏ￣（６＋），并且是以ＭｏＯ＿３的形式存在，证明ＭｏＳ＿２的摩擦表面除有一般认为的Ｍｏ￣（４＋）和Ｍｏ￣（６＋）这两种化学状态以外，还有Ｍｏ￣（５＋）自由基离子这种从未发现的的中间态。Ｍｏ￣（５＋）是４ｄ￣１电子构型，其在室温下于空气或氧气中是稳定的，然而在摩擦环境或添加剂的作用下，Ｍｏ￣（５＋）所含不成对电子很容易发生转移而生成Ｍｏ￣（６＋），这种研究结果更加深入地揭示了ＭｏＳ＿２摩擦表面氧化过程的复杂性，因此，应当从摩擦化学角度重新认识ＭｏＳ＿２摩擦氧化产物及其形成机制，这于研究摩擦环境和添加剂对润滑剂的抗氧化协同效应具有重要意义。     

弹性接触问题线性互补法的摄动原理

为使弹性摩擦问题的线性互补法得到收敛性保证,提出一个摄动原理,证明了通过“摆脱摄动误差”可得到原离散模型的精确解。     

摩擦接触问题的比例边界等几何B可微方程组方法

摩擦接触问题是计算力学领域最具挑战性的问题之一,接触系统的泛函具有非线性、非光滑的特点,导致接触算法的收敛性与精确性难以保证.因此将比例边界等几何分析(scaled boundary isogeometric analysis,SBIGA)与B可微方程组(B dierential equation,BDE)相结合,提出了求解二维摩擦接触问题的比例边界等几何B可微方程组方法.在比例边界等几何坐标变换的基础上,通过虚功原理推导了关于边界控制点变量的接触平衡方程,表示成B可微方程组形式的接触条件可被严格满足,求解B可微方程组的算法的收敛性有理论保证.此比例边界等几何B可微方程组方法(SBIGA-BDE)只需在接触体边界进行等几何离散,使问题降低一维,能精确描述接触边界,并可通过节点插入算法进行真实接触区域的识别.此外,由于几何建模和数值分析使用相同的基函数,节约了划分网格的时间.以赫兹接触问题和悬臂梁摩擦接触问题为例,通过与解析解及数值计算软件ANSYS计算结果进行对比,验证了该方法求解二维摩擦接触问题的有效性及高精度等特点.      

Hamilton-Poisson formulation for the rotational motion of a rigid body in the presence of an axisymmetric force field and a gyroscopic torque

We give sufficient conditions for the rigid body in the presence of an axisymmetric force field and a gyroscopic torque to admit a Hamilton-Poisson formulation. Even if by adding a gyroscopic torque we initially lose one of the conserved Casimirs, we recover another conservation law as a Casimir function for a modified Poisson structure. We apply this frame to several well-known results in the literature.     

Rotation rate of a three-wing rotor illuminated by upward-directed focused beam in optical tweezers

The optical torque and the trapping position (focal point) in optical tweezers are analyzed for upward-directed focused laser illumination using a ray optics model, considering that laser light is incident at not only the lower surface but also the side surface of a 3-wing rotor. The viscous drag force due to the pressure and the shearing stress on all surfaces of the rotor is evaluated using computational fluid dynamics. The rotation rate is simulated in water by balancing the optical torque with the drag force, resulting in 500 rpm for an SU-8 rotor with 20 μm diameter at a laser power of 200 mW. The trapping position is estimated to be 7.6 μm in the rotor with an upward-directed laser at 200 mW via an objective lens having a numerical aperture of 1.4. Both the rotation rate and the trapping position agree well with the values obtained in the experiment.     

Entropy Generation for Negative Frictional Pressure Drop in Vertical Slug and Churn Flows

It is widely accepted that the frictional pressure drop is impossible to be negative for pipe flow. However, the negative frictional pressure drops were observed for some cases of two-phase slug and churn flows in pipes, challenging the general sense of thermodynamic irreversibility. In order to solve this puzzling problem, theoretical investigations were performed for the entropy generation in slug and churn flows. It is found that the frictional pressure drop along with a buoyancy-like term contributes to the entropy generation due to mechanical energy loss for steady, incompressible slug and churn flows in vertical and inclined pipes. Experiments were conducted in a vertical pipe with diameter as 0.04 m for slug and churn flows. Most of the experimental data obtained for frictional pressure drop are negative at high gas–liquid ratios from 100 to 10,000. Entropy generation rates were calculated from experimental data. The results show that the buoyancy-like term is positive and responsible for a major part of entropy generation rate while the frictional pressure drop is responsible for a little part of entropy generation rate, because of which the overall entropy generation due to mechanical energy loss is still positive even if the frictional pressure drop is negative in vertical slug and churn flows. It is clear that the negative frictional pressure drops observed in slug and churn flows are not against the thermodynamics irreversibility.     

Atomic forces for geometry‐dependent point multipole and Gaussian multipole models

In standard treatments of atomic multipole models, interaction energies, total molecular forces, and total molecular torques are given for multipolar interactions between rigid molecules. However, if the molecules are assumed to be flexible, two additional multipolar atomic forces arise because of (1) the transfer of torque between neighboring atoms and (2) the dependence of multipole moment on internal geometry (bond lengths, bond angles, etc.) for geometry‐dependent multipole models. In this study, atomic force expressions for geometry‐dependent multipoles are presented for use in simulations of flexible molecules. The atomic forces are derived by first proposing a new general expression for Wigner function derivatives . The force equations can be applied to electrostatic models based on atomic point multipoles or Gaussian multipole charge density. Hydrogen‐bonded dimers are used to test the intermolecular electrostatic energies and atomic forces calculated by geometry‐dependent multipoles fit to the ab initio electrostatic potential. The electrostatic energies and forces are compared with their reference ab initio values. It is shown that both static and geometry‐dependent multipole models are able to reproduce total molecular forces and torques with respect to ab initio, whereas geometry‐dependent multipoles are needed to reproduce ab initio atomic forces. The expressions for atomic force can be used in simulations of flexible molecules with atomic multipoles. In addition, the results presented in this work should lead to further development of next generation force fields composed of geometry‐dependent multipole models. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010     

Torque on birefringence in one-dimensional finite photonic band-gap structure with defects

We theoretically study the optical torque on the layers in one-dimensional finite photonic crystal with birefringent defect layers. The fields in each layer are deduced by Berreman's 4 × 4-matrix method. We found out that the strong electromagnetic fields enhance both torque and force on the layers at defect mode. These investigations suggest an efficient method to construct the micro-motor driven by electromagnetic wave.