An Intuitive Electric-field Contribution Decomposition Model for Chemical Processes and Its Applications on Diels-Alder Reactions

External electric field(EEF) has shown its advantages in tuning chemical reaction as an efficient and feasible-to-control tool. In this paper, we explored the mechanisms of three EEF-regulated Diels-Alder reactions including two traditional-DA reactions to form two C-C single bonds and a hetero-DA reaction to form both a C-C and a C-O bond, respectively, and introduced an EEF contribution decomposition(ECD) model to understand how the EEF coupled with the intrinsic nuclear and electronic redistributions so as to affect chemical reaction. The ECD model, by decomposing the overall EEF effects into geometry re-equilibrium and static induction parts, can give a clear and quantitative picture of a physical quantity change upon EEF, as demonstrated on relative energies, activation barriers, charge distribution and dipole moments. The ECD analyses will shed light on the effective tuning of chemical reactions by the electric field.     

水下对转螺旋桨流致辐射噪声机理与预报方法*

水下对转螺旋桨流致辐射噪声的预报对于水下目标的特征提取和分类识别具有重要意义。由桨叶的旋转引起的湍流场是水下对转螺旋桨流致辐射噪声的源场。分述了水下对转螺旋桨湍流边界层脉动、旋转干涉效应和空化效应引发的水动力噪声机制和研究进展,比较了目前工程应用中的3种对转螺旋桨流致辐射噪声预报方法的特点。在分析对转螺旋桨流致辐射噪声数值预报难点的基础上,综述了对转螺旋桨流致辐射噪声计算方法的研究进展,指出间接数值模拟方法是工程中进行对转螺旋桨流致辐射噪声预报的有效方法。     

离子浓度及表面结构对岩石孔隙内水流动特性的影响

酸性环境引发的岩石孔隙表面溶解增加了孔隙内水溶液的盐离子浓度,破坏了孔隙的表面结构.本文采用分子动力学模拟的方法研究了纳米级岩石孔隙内水溶液的流动特性,分析了盐离子浓度和孔隙表面结构对水流速度分布的影响及原因.研究结果表明:纳米级岩石孔隙内的水溶液流动符合泊肃叶流动特性,流速呈"抛物线"分布;随盐离子浓度增加,水溶液内部氢键网络变得更为致密,水黏度随其呈线性增长;水溶液中离子浓度越大,孔隙表面对水流动的阻力越大,最大流速越小,速度分布的"抛物线"曲率半径越大;岩石孔隙表面结构的破坏改变了流动表面的粗糙程度,增加了孔隙表面对H2O分子的吸引力.随表面结构破坏程度的增大,水溶液在近壁区域的密度增大,流速降低;当表面破坏程度达到50%时,水溶液在近壁区域出现了明显的负边界滑移现象.     

交错跃迁Hofstadter梯子的量子流相

为玻色Hofstadter梯子模型引入交错跃迁,来扩展模型支持的量子流相.基于精确对角化和密度矩阵重整化群计算发现,无相互作用时,系统中包含横流相、涡旋相和纵流相;横流相来自均匀跃迁时Hofstadter梯子模型的Meissner相,纵流相是交错跃迁时才可见的流相.强相互作用极限下系统的超流区也包含横流相、纵流相和涡旋相,但存在更多的相变级数;超流区的横流相、纵流相之间存在相变但Mott区的不存在,把Mott区的"横、纵流相"称为Mott-均匀相,在Mott区只存在均匀相和涡旋相.跃迁的交错会压缩涡旋相存在的区域,使Mott区最终只剩下均匀相;跃迁的交错不仅能驱动Mott-超流相变,还使磁通的改变也能够驱动系统的Mott-超流相变.对这一系统的研究丰富了磁通系统中的量子流相,同时为研究拓扑流特性提供了模型支持.     

Time-averaged flow characteristics and mixing properties of double-concentric jets

We examined the flow behaviors and mixing characteristics of double-concentric jets using laser-assisted smoke flow visualization method to analyze typical flow patterns and binary boundary detection technique to investigate jet spread width. Time-averaged velocity vectors, streamline patterns, velocity distributions, turbulence properties, and vorticity contours were analyzed using Particle Image Velocimetry (PIV). Topological flow patterns were analyzed to interpret the vortical flow structures. Mixing properties were investigated using a tracer-gas concentration detection method. Four characteristic modes were observed: annular flow dominated mode, transition mode, central jet dominated mode-low shear, and central jet dominated mode-high shear. The jets’ mixing properties were enhanced by two major phenomena: the merging of annular flow and central jet at the centerline and the large turbulence fluctuations produced in the flow field. The merging of the jets induced stagnation points on the central axis in the annular flow dominated mode, which caused reverse flow on the central axis and drastic turbulence fluctuations of the near field region. When the central jet penetrated the recirculation region in the other three modes, the stagnation points on the central axis and the reverse flow vanished. Therefore, the mixing behaviors were prominently enhanced in the annular flow dominated mode.     

More efficient time integration for Fourier pseudospectral DNS of incompressible turbulence

Time integration of Fourier pseudospectral DNS is usually performed using the classical fourth-order accurate Runge-Kutta method or other second- or third-order methods, with a fixed step size. We investigate the use of higher-order Runge-Kutta pairs and automatic step size control based on local error estimation. We find that the fifth-order accurate Runge-Kutta pair of Bogacki and Shampine gives much greater accuracy at a significantly reduced computational cost. Specifically, we demonstrate speedups of 2× to 10× for the same accuracy. Numerical tests (including the Taylor-Green vortex, Rayleigh-Taylor instability, and homogeneous isotropic turbulence) confirm the reliability and efficiency of the method. We also show that adaptive time stepping provides a significant computational advantage for some problems (like the development of a Rayleigh-Taylor instability) without compromising accuracy.     

曲面相机阵列多分辨成像方法

针对现有成像系统因数据冗余而无法兼顾大视场、高分辨、高效性的问题,结合人眼视网膜变分辨成像和并列式复眼成像原理,设计一种多分辨率成像的复合仿生成像系统.该成像系统按照球面和平面兼顾的曲面布局方式,利用11个相机镜头构建相机阵列,组成了四个等级分辨率的子眼拍摄模块.通过物距100 m的远景实验和物距10 m的近景实验发现,该系统在实现高分辨成像的同时,获得总视场达150.8°×37.8°.多分辨率成像实验结果表明,该系统获取的图像的分辨率从中心视场到边缘视场逐渐降低,并且相较于中心清晰全视场成像,四级分辨率成像的拼接图像数据量减少了17.2倍的数据冗余.     

均匀磁场下碳离子笔形束的剂量变化分析及位置修正方法

分析外加均匀磁场对于碳离子笔形束剂量分布的影响,并考虑修正这种影响,为磁共振成像引导碳离子放射治疗的临床应用提供指导。本文利用蒙特卡罗方法模拟计算了不同能量碳离子笔形束在不同强度磁场下的剂量分布情况,发现垂直于碳离子束入射方向的均匀磁场对于碳离子笔形束射程缩短的影响很小,磁场对碳离子束的主要影响是引起束流横向偏转,特别是碳离子束布拉格峰位置的横向侧移。横向侧移程度与碳离子束的能量和磁场强度相关,根据模拟结果,得到了一个计算碳离子束布拉格峰在磁场中相对横向偏转的方程,并提出一种校正外加磁场引起的碳离子束布拉格峰横移的角度修正方法。这些结果可用于指导磁共振图像引导碳离子放射治疗计划系统的研发。     

Downstream evolution of junction flow three-component velocity fluctuations through the lens of the diagnostic plot

Experimental measurements of the streamwise and transverse velocity components have been acquired in three spanwise/wall-normal planes in the wakes of both a streamlined ‘wing’ and a bluff ‘wing’ junction. The ‘extended’ diagnostic plot introduced by Alfredsson et al. (2011) (see figure 3 therein) is used as a benchmark to locally evaluate the departure of turbulent wing-body junction flow wakes from ‘equilibrium’ boundary layers. Both obstacles produce a secondary flow of Prandtl’s first kind, which disrupts the equilibrium implied by the universality of the extended diagnostic plot. The plane wake of the obstacle itself (away from the junction) also disrupts this equilibrium. It is found that with downstream development the boundary layer eventually recovers to the base zero-pressure-gradient ‘equilibrium’, and that this recovery process emanates from the near-wall region. The transverse velocity components are also examined in “extended diagnostic” form, revealing that the wall-normal fluctuations recover to the zero-pressure-gradient case near the wall more rapidly than the wall-parallel components.