正交各向异性位势问题边界元法中几乎奇异积分的解析算法

几乎奇异积分的计算困难阻碍了边界元法的工程应用。本文针对二维正交各向异性位势问题边界元法中近边界点的几乎奇异积分,采用分部积分法,导出一种直接的解析计算公式。该解析公式可以精确计算线性单元上的几乎奇异积分。对二次单元,可将其细分为几个线性元,采用该解析公式近似计算其边界积分。当内点离当前积分单元较远时,仍保持常规高斯数值积分模式;而当内点离其较近时,因常规高斯积分结果失效,则采用该解析积分取代高斯数值积分。数值算例证明了该算法的有效性和精确性。二次元计算结果比线性元计算结果更精确。     

双轴应力状态下正交异性动态光弹性应力——光性定律研究

基于静态下Ｈｙｅｒ和Ｌｉｕ表述的正交异性应力－光性定律，在前文中，提出了正交异性光弹性复合材料的动态应力－光性定律并证明了其在单轴应力状态下的正确性。本文旨在进一步考察在双轴应力状态下正交异性动态应力－光性定律的适用性，采用的方法是对纤维增强光弹性复合材料制作的平板模型施加冲击荷载，加载方向与材料纤维方向分别成０°、９０°及４５°角，同时进行正交异性动态光弹性实验和动态应变测量，另外，对该模型进行相应的各向异性介质时域边界元计算。把动态应变测量推算出的应力分量以及时域边界元计算出的应力分量分别代入正交异性动态应力－光性定律，得到随时间变化的双折射条纹级数历程，将其与正交异性动态光弹性实验的结果进行比较。实验及计算结果表明，在三个加载方向下，由这三种方法得到的双折射条纹级数历程均吻合良好，从而证明了前文提出的正交异性动态应力－光性定律在双轴应力状态下的正确性。     

An investigation of the electron density of a Jahn–Teller‐distorted CrII cation: the crystal structure and charge density of hexakis(acetonitrile‐κN)chromium(II) bis(tetraphenylborate) acetonitrile disolvate

In the crystal structure of the title homoleptic Cr^II complex, [Cr(CH₃CN)₆](C₂₄H₂₀B)₂·CH₃CN, the [Cr(CH₃CN)₆]²⁺ cation is a high‐spin d⁴ complex with strong static, rather than dynamic, Jahn–Teller distortion. The electron density of the cation was determined by single‐crystal X‐ray refinements using aspherical structure factors from wavefunction calculations. The detailed picture of the electronic density allowed us to assess the extent and directionality of the Jahn–Teller distortion of the Cr^II cation away from idealized octahedral symmetry. The topological analysis of the aspherical d‐electron density about the Cr^II cation showed that there are significant valence charge concentrations along the axial Cr—N axes. Likewise, there were significant valence charge depletions about the Cr^II cation along the equatorial Cr—N bonds. These charge concentrations are in accordance with a Jahn–Teller‐distorted six‐coordinate complex.     

Low‐memory iterative density fitting

A new low‐memory modification of the density fitting approximation based on a combination of a continuous fast multipole method (CFMM) and a preconditioned conjugate gradient solver is presented. Iterative conjugate gradient solver uses preconditioners formed from blocks of the Coulomb metric matrix that decrease the number of iterations needed for convergence by up to one order of magnitude. The matrix‐vector products needed within the iterative algorithm are calculated using CFMM, which evaluates them with the linear scaling memory requirements only. Compared with the standard density fitting implementation, up to 15‐fold reduction of the memory requirements is achieved for the most efficient preconditioner at a cost of only 25% increase in computational time. The potential of the method is demonstrated by performing density functional theory calculations for zeolite fragment with 2592 atoms and 121,248 auxiliary basis functions on a single 12‐core CPU workstation. © 2015 Wiley Periodicals, Inc.     

Application of a new fast multipole BEM for simulation of 2D elastic solid with large number of inclusions

A fast multipole method (FMM) is applied for BEM to reduce both the operation and memory requirement in dealing with very large scale problems. In this paper, a new version of fast multipole BEM for 2D elastostatics is presented and used for simulation of 2D elastic solid with a large number of randomly distributed inclusions combined with a similar subregion approach. Generalized minimum residual method (GMRES) is used as an iterative solver to solve the equation system formed by BEM iteratively. The numerical results show that the scheme presented is applicable to certain large scale problems. The project supported by the National Nature Science Foundation of China (10172053) and the Ministry of Education     

Non-element method of solving 2D boundary problems defined on polygonal domains modeled by Navier equation

The paper presents a non-element method of solving boundary problems defined on polygonal domains modeled by corner points. To solve these problems a parametric integral equation system (PIES) is used. The system is characterized by a separation of the approximation of boundary geometry from the approximation of boundary functions. This feature makes it possible to effectively investigate the convergence of the obtained solutions with no need of performing the approximation of boundary geometry. The testing examples included confirm high accuracy of the solutions.     

液体调谐减振器的分析

本文利用Ｌａｍｂ变换，考虑液体的粘性，略去二维Ｎａｖｉｅｒ－Ｓｔｏｋｅｓ方程中的非线性预后，建立了频域内Ｎａｖｉｅｒ－Ｓｔｏｋｒｅｓ方程的边界积分表达式，完整地处理了边界条件（包括自由面边界条件和固壁边界条件）并且给出了液体随结构振动时的附加质量与阻尼的计算表达式。     

两斜交圆柱壳应力分析的边界元法

本文研究了两斜交圆柱壳的边界元法。提出了用板的基本解叠加级数形式的修正项构成圆柱壳的基本解,提高了计算精度,缩短了计算时间。对区域积分进行特殊处理,从而避免了内部网格的划分,大大减少了数据准备工作量和占机内存。并编制了FORTRAN计算程序,进行了数值计算。     

ANALYSIS ON ACOUSTICAL SCATTERING BY A CRACKED ELASTIC STRUCTURE

The acoustical scattering by a cracked elastic structure is studied. The mixed method of boundary element and fractal finite element is adopted to solve the cracked structure-acoustic coupling problem. The fractal two-level finite element method is employed for the cracked structure, which can reduce the degree of freedoms (DOFs) greatly, and the boundary element method is used for the exterior acoustic field which can automatically satisfy Sommerfeld‘s radiation condition. Numerical examples show that the resonance frequency is lower with the crack‘s depth increase, and that the effect on the acoustical field by the crack is particularly pronounced in the vicinity of the crack tip. This mixed method of boundary element and finite element is effective in solving the scattering problem by a cracked structure.     

一种新的摄动粘弹性边界元法

本文在拉普拉斯变换空间中,运用摄动理论和“弹性-粘弹性”对应性原理,提出了一种新的粘弹性问题边界元求解法。文中结合广义变分原理,导出了摄动粘弹性边界元方程,并给出了摄动粘弹性问题的基本解。最后,详述了一阶摄动的求解过程,并给出了算例。