Control of mean and fluctuating forces on a circular cylinder at high Reynolds numbers

A narrow strip is used to control mean and fluctuating forces on a circular cylinder at Reynolds numbers from 2.0 × 10⁴ to 1.0 × 10⁵. The axes of the strip and cylinder are parallel. The control parameters are strip width ratio and strip position characterized by angle of attack and distance from the cylinder. Wind tunnel tests show that the vortex shedding from both sides of the cylinder can be suppressed, and mean drag and fluctuating lift on the cylinder can be reduced if the strip is installed in an effective zone downstream of the cylinder. A phenomenon of mono-side vortex shedding is found. The strip-induced local changes of velocity profiles in the near wake of the cylinder are measured, and the relation between base suction and peak value in the power spectrum of fluctuating lift is studied. The control mechanism is then discussed from different points of view. The project supported by the National Natural Science Foundation of China (10172087 and 10472124). The English text was polished by Yunming Chen.     

脉动压力分布同步测量的探讨

动态气动力的研究是实验工作者极为关注的问题。特别对于二元模型动态气动力的测定,必须从脉动的压力分布通过面积加权积分来得到气动力的时间历程,而其先决条件为各测压点压力的时间历程必须是同步的,也就是要测得同一时刻诸多测点的压力。本文介绍了一种比较经济的多点同步测压方法,并对该方法的实施进行了探讨。分别对A/D卡采样的同步性、整套测压系统的同步性以及频响特性进行了测试和验证。经相关性分析,相关系数分别达到0. 9999和 0. 99。最后以圆柱表面脉动压力系数分布的测试为例,给出了单圆柱不同瞬间的压力向量图、按照瞬间压力沿表面积分得到的单个圆柱脉动升力的时间历程,以及升力的脉动频率,表明整套同步测压系统具有很好的实用性,能满足实验的需要。     

Fluctuations in a fluid under a stationary heat flux. I. General theory

We present the basic formulas for a unified treatment of the correlation functions of the hydrodynamic variables in a fluid between two horizontal plates which is exposed to a stationary heat flux in the presence of a gravity field (Rayleigh-Bénard system). Our analysis is based on fluctuating hydrodynamics. In this paper (I) we show that in the nonequilibrium stationary state the hydrodynamic fluctuations evolve on slow and fast time scales that are widely separated. A time scale perturbation theory is used to diagonalize the hydrodynamic operator partially. This enables us to derive the eigenvalue equations for the nonequilibrium hydrodynamic modes. Therein we take into account the variation of the macroscopic quantities with position. The correlation functions are formally expressed in terms of the nonequilibrium modes. In paper II the slow hydrodynamic modes (viscous and viscoheat modes) will be determined explicitly for ideal heat-conducting plates with stick boundary conditions and used to compute the slow part of the correlation functions; in paper III the fast hydrodynamic modes (sound modes) will be explicitly determined for stick boundary conditions and used to compute the fast part of the correlation functions. In these papers we will also compute the shape and intensity of the lines measured in light scattering experiments.     

Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentials

A new method for performing molecular dynamics simulations with fluctuating charge polarizable potentials is introduced. In fluctuating charge models, polarizability is treated by allowing the partial charges to be variables, with values that are coupled to charges on the same molecule as well as those on other molecules. The charges can be efficiently propagated in a molecular dynamics simulation using extended Lagrangian dynamics. By making a coordinate change from the charge variables to a set of normal mode charge coordinates for each molecule, a new method is constructed in which the normal mode charge variables uncouple from those on the same molecule. The method is applied to the TIP4P-FQ model of water and compared to other methods for implementing the dynamics. The methods are compared using different molecular dynamics time steps.     

Brownian motion in a rotating flow

The Langevin equations for a particle of an arbitrary shape and the correlation functions for the fluctuating forces, torques, or force-torque acting on the particle in a rotating flow are derived from the semimicroscopic level of coarse graining by using fluctuating hydrodynamics. In order to obtain the solution of the Navier-Stokes Langevin equation valid over the entire flow region, use is made of the method of matched asymptotic expansions in ( _f a²/v)^1/2 1. The cases of slow and rapid rotation are analyzed. It is shown that the fluctuation-dissipation theorems hold up to the order of ( _f a²/v)^1/2 in both slow and rapid rotation, and that the diffusivity tensor depends on the angular velocity of the fluid and becomes anisotropic.     

Quantum mechanics/fluctuating charge calculations for absorption spectra of aqueous green fluorescent protein chromophore

We applied the quantum mechanics/fluctuating charges (QM/FQ) method to simulate the absorption spectra of three protonated forms of p-hydroxybenzylidene imidazolone (p-HBDI) in water. Configurations of solute-solvent were generated from molecular dynamics (MD) simulation within the context of a hybrid scheme in which solute and solvents were treated at QM and molecular mechanics, respectively. Nonperiodic spherical boundary condition was used. To examine the influence on simulated spectra coming from the geometrical relaxation of solute, the MD simulations were carried out for two cases: frozen and flexible molecular geometry of solute. As a result of our calculations, the simulations using the flexible solute's structure delivered vertical excitation energies closer to experimental data than those of a frozen solute, especially for the neutral case. For spectral broadening, changing from fixed geometry of solute to a flexible one led to a significant increase for both neutral and anionic forms of p-HBDI, but no effect happened for the cationic one.     

ABEEMσπ/MM力场模型下的多肽构象

在ABEEM/MM蛋白质浮动电荷力场模型的基础上,加入孤对电子和 电荷位点,从而能够体现多肽和蛋白质分子中一些重要的各向异性极化性质,允许非化学键方向的电子转移和极化。利用从头计算数据拟合模型相关参数。计算得到的小分子团簇结合能、偶极矩、氢键键长等性质与从头计算结果符合很好。该经典极化模型力场能够重复量子场下丙氨酸二肽、丙氨酸四肽、甘氨酸三肽的各稳定构象,其稳定性顺序与精密从头计算结果相一致,其结构和能量性质较以往模型有一定提高,并优于其他力场模型。     

Flux of a Ratchet Model and Applications to Processive Motor Proteins

In this paper, we investigate the stationary probability current (or flux) of a Brownian ratchet model as a function of the flipping rate of the fluctuating potential barrier. It is shown that, with suitably selecting the parameters' values of the ratchet system, we can get the negative resonant activation, the positive resonant activation, the double resonant activation, and the current reversal, for the stationary probability current versus the flipping rate. The appearance of these phenomena is the result of the cooperative effects of the potential's dichotomous fluctuations and the internal thermal fluctuations on the evolution of the flux versus the flipping rate of the fluctuating potential barrier. In addition, some applications of our results to the motor proteins are discussed.     

气液两相流中旋涡诱发方柱和正三角柱振动时的脉动升力研究

垂直上升矩形截面管内的气液两相流横向冲刷水平布置的柱体时,一定条件下会在柱体后部产生旋涡交替脱落现象,使柱体在与来流垂直的方向上受到脉动升力的作用。本文以截面分别是方形、正三角形的柱体为例,研究了这种带锐缘的柱体在气液两相流中受到的脉动升力,得出了涡街的Strouhal数和柱体的脉动升力系数C'L随Re数和来流含气率。的变化情况。实验结果表明：在本文的实验范围内,方形柱体和正三角柱体的Strouhal数不随Re数变化,而在一定的含气率范围内,随着含气率的增大而增大;C'L也不随Re数而变化,而随着来流含气率的增大相减小而后很快增大。