h-ADAPTIVITY ANALYSIS BASED ON MULTIPLE SCALE REPRODUCING KERNEL PARTICLE METHOD

IntroductionAs one of the meshfree methods, multiple scale reproducing kernel particle method(RKPM)[1,2]bears, besides the common features of all meshfree methods, a uniqueinherent feature of multiresolution analysis by which the structural response can b…     

Structures,stabilities and electronic properties of boron-doped silicon clusters B3Sin (n=1–17) and their anions

The structures, stabilities and electronic properties of neutral and anionic B₃Si_n (n?=?1–17) clusters have been systemically investigated on the basis of density functional theory at the B3LYP/6-311?+?G(d) level and CALYPSO structure prediction method. The structural searches show that three boron atoms tend to form B₃ triangle encapsulated into Si_n cages with the increasing number of silicon atoms. Most of the lowest energy structures can be derived by using the squashed pentagonal bipyramid structure of B₃Si₄ and B₃Si₄^? as the major building unit. The relative stabilities are studied based on the calculated binding energies, second-order difference of energies and HOMO–LUMO gaps of the lowest energy structures. In addition, Hirshfeld, natural population analysis, Bader approaches and natural electronic configuration are performed to explore the charge transfer. At last, molecular orbital, magnetic properties, IR, Raman and UV–vis spectra are also, respectively, analysed for providing strong support for essential theoretical and experimental research.     

Dependence of thermodynamic properties of model systems on some dissipative particle dynamics parameters

The influence of systematic perturbation of input interaction parameters on thermodynamic equilibrium properties is studied employing dissipative particle dynamics (DPD) simulations. The values of both the excess pressure and the surface tension are found to be very sensitive to the values of the soft repulsion parameter between unlike DPD particles for high values of the coarse-graining level (number of water molecules per DPD particle). For the case in which a molecular surfactant is present at the interface we have determined the dependence of these properties on the values of the parameters that characterize the bonding force between polymer beads. No significant differences were found between linear and branched surfactants.     

不同沙粒底面下气泡脉动特性实验研究

通过高速摄影系统对电火花气泡与不同沙粒底面间的相互作用进行了实验研究,并改变气泡与沙粒底面之间的距离.实验结果表明:气泡在与沙粒底面的相互作用中会产生两种明显不同的现象,即形成与近刚性壁面类似的气泡射流以及“蘑菇状”气泡,“蘑菇状”气泡撕裂形成两个气泡,随后产生两个反方向的沿轴线方向的射流.沙粒底面边界具有刚性与弹性两种特征.另外,随着气泡与沙粒底面之间的距离d的增大,气泡脉动周期先增大然后减小,存在气泡脉动周期峰值.对于不同的沙粒底面边界,出现气泡脉动周期峰值的距离d随着沙底粒径的增大而越小.     

低气压条件下氢气潘宁放电的模拟分析

为更好地理解低气压、弱电离条件下潘宁离子源放电过程中离子和电子的动力学行为, 通过建立二维轴对称模型, 采用粒子模拟与蒙特卡罗相结合(PIC/MCC)的方法, 考虑了电子与氢气之间的弹性碰撞、激发、电离以及氢原子、离子之间的弹性碰撞和电荷交换等过程, 对微型氢气潘宁离子源放电和引出过程进行了数值研究. 考察了磁场位形、壁面二次电子发射系数、引出电压和充气压力对放电过程的影响, 得到了实验中难以诊断得到的放电腔内电子与离子数密度分布, 阳极电流、引出极离子电流、单原子氢离子比例和双原子氢离子比例等宏观参数与实验结果相一致. 通过仿真使得对氢气潘宁放电机制的研究从定性过渡到定量, 这对于潘宁离子源的设计和改进具有重要意义. 关键词： 潘宁放电 氢气 粒子模拟 蒙特卡罗     

Physics of sinking and selection of plankton cell size

Gravitational sinking in the water column is known to affect size composition of planktonic communities. One important driver toward the reduction of plankton size is the fact that larger cells tend to sink faster below the euphotic layer. In this work, we discuss the role of gravitational sinking in driving cell size selection, showing that the outcome of phytoplankton competition is determined by the dependence of sinking velocity on cell size, shape, and on the temporal variability associated with turbulence. This opens a question on whether regional modulations of the turbulence intensity could affect size distribution of planktonic communities.     

数值模拟微米粒子的体全息记录与再现

体全息对小粒子记录及再现的影响关系到体全息材料在粒子场检测领域的应用前景,提出结合角谱传播理论与多光栅耦合波理论进行体全息图衍射分析的方法,并数值模拟了微米量级小粒子衍射光场的体全息记录与再现。数值分析结果表明体全息理论并不能像薄全息理论那样精确的再现出原始物光。其再现光场的角谱分布相对于原始光场存在高阶衰减,这使得再现光场成像后的图像边缘模糊,而且模糊程度还会随着粒子尺寸的下降逐渐上升。虽然这一现象为粒子边缘判读带来困难,但是再现图像的径向强度分布可为提高判断精度提供有益的参考。     

On the derivation of the incompressible Mavier-Stokes equation for Hamiltonian particle systems

We consider a Hamiltonian paticle system interacting by means of a pair potetial. We look at the behavior of the system on a space scale of order ^-1, times of order ^-2 and mean velocities of order , with a scale parameter. Assuming that the phase space density of the particles is give by a series in (the analog of the Chapman-Enskog expansion), the behavior of the system under this rescaling is described, to the lowest order in , by the incompressible Navier-Stokes equations. The viscosity is given in terms of microscopic correlations, and its expression agrees with the Green-Kubo formula.     

耦合双原子与压缩真空场Raman相互作用的动力学

研究了耦合双原子与单模压缩真空场Raman相互作用过程中原子布居和偶极压缩的时间演化特性,运用数值方法讨论了系统耦合常数和初始状态对原子动力学行为的影响 关键词： 耦合双原子 压缩真空场 Raman相互作用 原子布居 原子偶极压缩     

涡流型切割磁铁的理论分析和模拟计算

从理论上推导了涡流型切割磁铁的漏场变化规律.以上海同步辐射装置(SSRF)用涡流型切割磁铁为例,进行了分析性计算和讨论,并与OPERA程序模拟计算的结果进行了比较.在此基础上,提出了降低漏场的方法和措施.