The numerical quadrature methods for dealing with the problems of singular and near-singular integrals caused by Burton-Miller method are proposed, by which the conventional and fast multipole BEMs （boundary element ...The numerical quadrature methods for dealing with the problems of singular and near-singular integrals caused by Burton-Miller method are proposed, by which the conventional and fast multipole BEMs （boundary element methods） for 3D acoustic problems based on constant elements are improved. To solve the problem of singular integrals, a Hadamard finite-part integral method is presented, which is a simplified combination of the methods proposed by Kirkup and Wolf. The problem of near-singular integrals is overcome by the simple method of polar transformation and the more complex method of PART （Projection and Angular ＆ Radial Transformation）. The effectiveness of these methods for solving the singular and near-singular problems is validated through comparing with the results computed by the analytical method and/or the commercial software LMS Virtual.Lab. In addition, the influence of the near-singular integral problem on the computational precisions is analyzed by computing the errors relative to the exact solution. The computational complexities of the conventional and fast multipole BEM are analyzed and compared through numerical computations. A large-scale acoustic scattering problem, whose degree of freedoms is about 340,000, is implemented successfully. The results show that, the near singularity is primarily introduced by the hyper-singular kernel, and has great influences on the precision of the solution. The precision of fast multipole BEM is the same as conventional BEM, but the computational complexities are much lower.展开更多
文摘为明确核石墨中间隙原子的存在形态与演化规律,利用第一性原理模拟研究间隙原子间的相互作用及其迁移、结合行为。研究表明:同一石墨片层上的间隙原子间存在引力,间距大于0.5 nm时其相互作用能可忽略;间隙原子倾向于沿扶手椅形方向迁移、结合,两间隙原子结合后降低的结构能约为6.0 e V;在间隙原子迁移过程中,整个迁移、结合反应的能垒约为0.4 eV;石墨中间隙原子最稳定的团簇结构是链状结构,紧邻的螺旋间隙原子结构次之,当结合的间隙原子数目超过6以后,间隙原子的结构将以包含六元碳环的团簇与底面以AB堆垛的形态存在,这是新石墨片层生成的重要机制。
基金supported by the National Natural Science Foundation of China(11304344,11404364)the Project of Hubei Provincial Department of Education(D20141803)+1 种基金the Natural Science Foundation of Hubei Province(2014CFB378)the Doctoral Scientific Research Foundation of Hubei University of Automotive Technology(BK201604)
文摘The numerical quadrature methods for dealing with the problems of singular and near-singular integrals caused by Burton-Miller method are proposed, by which the conventional and fast multipole BEMs （boundary element methods） for 3D acoustic problems based on constant elements are improved. To solve the problem of singular integrals, a Hadamard finite-part integral method is presented, which is a simplified combination of the methods proposed by Kirkup and Wolf. The problem of near-singular integrals is overcome by the simple method of polar transformation and the more complex method of PART （Projection and Angular ＆ Radial Transformation）. The effectiveness of these methods for solving the singular and near-singular problems is validated through comparing with the results computed by the analytical method and/or the commercial software LMS Virtual.Lab. In addition, the influence of the near-singular integral problem on the computational precisions is analyzed by computing the errors relative to the exact solution. The computational complexities of the conventional and fast multipole BEM are analyzed and compared through numerical computations. A large-scale acoustic scattering problem, whose degree of freedoms is about 340,000, is implemented successfully. The results show that, the near singularity is primarily introduced by the hyper-singular kernel, and has great influences on the precision of the solution. The precision of fast multipole BEM is the same as conventional BEM, but the computational complexities are much lower.
