纳米通道内液体流动的滑移现象

采用分子动力学模拟方法研究了液态氩在铂纳米通道内的流动，通过改变流体和壁面之间的势能作用获得了流体和通道表面之间浸润性质不同时的滑移现象. 研究发现：液体分子在亲水性通道表面附近呈类固体性质，数密度和有序性较大，而在疏水性表面附近的平均数密度降低，形成一个低密度层；液体流动在固体表面的速度滑移随着液体与表面势能作用的增强而减小，当液体和表面的浸润性不同时可以发生滑移、表观无滑移和负滑移现象；液体在固体表面的表观滑移是液体在固体表面的速度滑移、粘附和流体内部滑移的综合作用的结果. 关键词： 纳米尺度流动 速度滑移 浸润性 分子动力学模拟     

Slippage of water past superhydrophobic carbon nanotube forests in microchannels

We present in this Letter an experimental characterization of liquid flow slippage over superhydrophobic surfaces made of carbon nanotube forests, incorporated in microchannels. We make use of a particle image velocimetry technique to achieve the submicrometric resolution on the flow profile necessary for accurate measurement of the surface hydrodynamic properties. We demonstrate boundary slippage on the Cassie superhydrophobic state, associated with slip lengths of a few microns, while a vanishing slip length is found in the Wenzel state when the liquid impregnates the surface. Varying the lateral roughness scale L of our carbon nanotube forest-based superhydrophobic surfaces, we demonstrate that the slip length varies linearly with L in line with theoretical predictions for slippage on patterned surfaces.     

Effect of the wall roughness on slip and rheological properties of hexadecane in molecular dynamics simulation of couette shear flow between two sinusoidal walls

Molecularly thin liquid films of alkanes in extreme conditions in a boundary lubrication regime have been investigated. The wall is modeled as a rough atomic sinusoidal wall. The effect on the boundary condition of the roughness characteristics, given by the period and amplitude of the sinusoidal wall, is studied here. The effect of the molecular length of the lubricating fluid is also examined here. The results show that the relative size of the fluid molecules and wall roughness determines the slip or nonslip boundary conditions. The effect of wall roughness characteristics on the rheological properties of the lubrication film is also studied.     

Evidence of shear-dependent boundary slip in Newtonian liquids

The flow of Newtonian fluids was studied by directly measuring the hydrodynamic drainage force acting on a sphere approaching a flat surface. Our force measurements provide clear evidence of boundary slip and show that the degree of boundary slip is a function of the liquid viscosity and the shear rate. A shear-dependent boundary slippage was also observed in experiments with a polymer (PDMS). The liquids wetted the bounding surfaces either partially or completely. Our results have important consequences for the design of microfluidic devices, and in technological processes, such as lubrication and permeability of microporous media.     

Slip, immiscibility, and boundary conditions at the liquid-liquid interface

The conventional boundary conditions at the interface between two flowing liquids include continuity of the tangential velocity. We have tested this assumption with molecular dynamics simulations of Couette and Poiseuille flows of two-layered liquid systems, with various molecular structures and interactions. When the total liquid density near the interface drops significantly compared to the bulk values, the tangential velocity varies very rapidly there, and would appear discontinuous at continuum resolution. The value of this apparent slip is given by a Navier boundary condition.     

Tunable-slip boundaries for coarse-grained simulations of fluid flow

On the micro- and nanoscale, classical hydrodynamic boundary conditions such as the no-slip condition no longer apply. Instead, the flow profiles exhibit "slip" at the surface, which is characterized by a finite slip length (partial slip). We present a new, systematic way of implementing partial-slip boundary conditions with arbitrary slip length in coarse-grained computer simulations. The main idea is to represent the complex microscopic interface structure by a spatially varying effective viscous force. An analytical equation for the resulting slip length can be derived for planar and for curved surfaces. The comparison with computer simulations of a DPD (dissipative particle dynamics) fluid shows that this expression is valid from full slip to no slip.     

Molecular kinetic theory of boundary slip on textured surfaces by molecular dynamics simulations

A theoretical model extended from the Frenkel-Eyring molecular kinetic theory (MKT) was applied to describe the boundary slip on textured surfaces. The concept of the equivalent depth of potential well was adopted to characterize the solid-liquid interactions on the textured surfaces. The slip behaviors on both chemically and topographically textured surfaces were investigated using molecular dynamics (MD) simulations. The extended MKT slip model is validated by our MD simulations under various situations, by constructing different complex surfaces and varying the surface wettability as well as the shear stress exerted on the liquid. This slip model can provide more comprehensive understanding of the liquid flow on atomic scale by considering the influence of the solid-liquid interactions and the applied shear stress on the nano-flow. Moreover, the slip velocity shear-rate dependence can be predicted using this slip model, since the nonlinear increase of the slip velocity under high shear stress can be approximated by a hyperbolic sine function.     

微通道疏水表面滑移的耗散粒子动力学研究

了解疏水表面的滑移规律对其在流动减阻方面的应用至关重要.利用耗散粒子动力学(dissipative particle dynamics, DPD)方法研究了微通道疏水表面的滑移现象.采用固定住的粒子并配合修正的向前反弹机制,构建了DPD固体壁面边界模型,利用该边界模型模拟了平板间的Couette流动.研究结果表明,通过调整壁面与流体间排斥作用强度,壁面能实现从无滑移到滑移的转变,壁面与流体间排斥作用越强,即疏水性越强,壁面滑移越明显,并且滑移长度与接触角之间存在近似的二次函数关系.无滑移时壁面附近密度分布均匀,有滑移时壁面附近存在低密度区域,低密度区域阻碍了动量传递,致使壁面产生滑移.     

Boundary Slip and Surface Interaction： A Lattice Boltzmann Simulation

The factors affecting slip length in Couette geometry flows are analysed by means of a two-phase mesoscopic lattice Boltzmann model including non-ideal fluid-fluid and fluid-wall interactions. The main factors influencing the boundary slip are the strength of interactions between fluid-fluid and fluid-wall particles. Other factors, such as fluid viscosity, bulk pressure may also change the slip length. We find that boundary slip only occurs under a certain density （bulk pressure）. If the density is large enough, the slip length will tend to zero. In our simulations, a low density layer near the wall does not need to be postulated a priori but emerges naturally from the underlying non-ideal mesoscopic dynamics. It is the low density layer that induces the boundary slip. The results may be helpful to understand recent experimental observations on the slippage of micro flows.     

Multiscale dislocation dynamics simulations of shock-induced plasticity in small volumes

Multiscale dislocation dynamics plasticity (MDDP) was used to investigate shock-induced deformation in monocrystalline copper. In order to enhance the numerical simulations, a periodic boundary condition was implemented in the continuum finite element (FE) scale so that the uniaxial compression of shocks could be attained. Additionally, lattice rotation was accounted for by modifying the dislocation dynamics (DD) code to update the dislocations’ slip systems. The dislocation microstructures were examined in detail and a mechanism of microband formation is proposed for single- and multiple-slip deformation. The simulation results show that lattice rotation enhances microband formation in single slip by locally reorienting the slip plane. It is also illustrated that both confined and periodic boundary conditions can be used to achieve uniaxial compression; however, a periodic boundary condition yields a disturbed wave profile due to edge effects. Moreover, the boundary conditions and the loading rise time show no significant effects on shock–dislocations interaction and the resulting microstructures. MDDP results of high strain rate calculations are also compared with the predictions of the Armstrong–Zerilli model of dislocation generation and movement. This work confirms that the effect of resident dislocations on the strain rate can be neglected when a homogeneous nucleation mechanism is included.     

Nanorheology: An investigation of the boundary condition at hydrophobic and hydrophilic interfaces

It has been shown that the flow of a simple liquid over a solid surface can violate the so-called no-slip boundary condition. We investigate the flow of polar liquids, water and glycerol, on a hydrophilic Pyrex surface and a hydrophobic surface made of a Self-Assembled Monolayer of OTS (octadecyltrichlorosilane) on Pyrex. We use a Dynamic Surface Force Apparatus (DSFA) which allows one to study the flow of a liquid film confined between two surfaces with a nanometer resolution. No-slip boundary conditions are found for both fluids on hydrophilic surfaces only. Significant slip is found on the hydrophobic surfaces, with a typical length of one hundred nanometers. Received 21 December 2001 and Received in final form 3 August 2002 RID="a" ID="a"e-mail: ccottin@dpm.univ-lyon1.fr RID="b" ID="b"Present address.     

Direct experimental evidence of slip in hexadecane: solid interfaces

The boundary condition for the flow velocity of a Newtonian fluid near a solid wall has been probed experimentally with a novel setup using total internal reflection-fluorescence recovery after photobleaching leading to a resolution from the wall of the order of 80 nm. For hexadecane flowing on a hydrocarbon/lyophobic smooth surface, we give what we think to be the first direct experimental evidence of noticeable slip at the wall. We show that the surface roughness and the strength of the fluid-surface interactions both act on wall slip, in antagonist ways.     

Roughness induced boundary slip in microchannel flows

Surface roughness becomes relevant if typical length scales of the system are comparable to the variations as it is the case in microfluidic setups. Here, an apparent slip is often detected which can have its origin in the misleading assumption of perfectly smooth boundaries. We investigate the problem by means of lattice Boltzmann simulations and introduce an "effective no-slip plane" at an intermediate position between peaks and valleys of the surface. Our simulations agree with analytical results for sinusoidal boundaries, but can be extended to arbitrary geometries and experimentally obtained data. We find that the apparent slip is independent of the detailed boundary shape, but only given by the distribution of surface heights. Further, we show that slip diverges as the amplitude of the roughness increases which highlights the importance of a proper treatment of surface variations in very confined geometries.     

纳米通道粗糙内壁对流体流动行为的影响

纳米流动系统具有高效、经济等优势,在众多领域具有广泛的应用前景.因该类系统具有极高的表面积体积比,致使界面滑移效应对流动具有显著影响.本文采用分子动力学方法以两无限大平行非对称壁面组成的Poiseuille流动为对象,分析了壁面粗糙度与润湿性变化对通道内流体流动的影响.对于不同结构类型的壁面,需要通过水动力位置来确定固液界面位置,准确计算固液界面位置有助于更好地分析界面滑移效应.研究结果表明,上下壁面不对称会引起通道内流场参数分布的不对称,壁面粗糙度及润湿性的变化会影响近壁面附近流体原子的流动特性,由于壁面凹槽的存在,粗糙壁面附近的数密度分布低于光滑壁面一侧.壁面粗糙度及润湿性的变化会影响固液界面位置,肋高变化及壁面润湿性对通道中速度分布影响较大,界面滑移速度及滑移长度随肋高和润湿性的增大而减小;肋间距变化对通道内流体流动影响较小,界面滑移速度和滑移长度基本保持恒定.     

Lattice Boltzmann modeling of microchannel flow in slip flow regime

We present the lattice Boltzmann equation (LBE) with multiple relaxation times (MRT) to simulate pressure-driven gaseous flow in a long microchannel. We obtain analytic solutions of the MRT-LBE with various boundary conditions for the incompressible Poiseuille flow with its walls aligned with a lattice axis. The analytical solutions are used to realize the Dirichlet boundary conditions in the LBE. We use the first-order slip boundary conditions at the walls and consistent pressure boundary conditions at both ends of the long microchannel. We validate the LBE results using the compressible Navier–Stokes (NS) equations with a first-order slip velocity, the information-preservation direct simulation Monte Carlo (IP-DSMC) and DSMC methods. As expected, the LBE results agree very well with IP-DSMC and DSMC results in the slip velocity regime, but deviate significantly from IP-DSMC and DSMC results in the transition-flow regime in part due to the inadequacy of the slip velocity model, while still agreeing very well with the slip NS results. Possible extensions of the LBE for transition flows are discussed.     

Numerical study of rotating electroosmotic flow of Oldroyd-B fluid in a microchannel with slip boundary condition

In the present study, the effect of slip boundary condition on the rotating electroosmotic flow (EOF) of Oldroyd-B fluid in a microchannel under high zeta potential is considered numerically. The potential distribution of the electric double layer (EDL) is acquired by solving the nonlinear Poisson-Boltzmann equation. The numerical solution of velocity profile is obtained by using a finite difference method. The effects of rotating Reynolds number, electric width, viscous parameter, slip parameter etc on velocity and boundary stress for Oldroyd-B fluid EOF are discussed, which show that the slip boundary effect can reduce the boundary stress and promote the development of flow.     

Asymptotic Behavior for Rayleigh Problem Based on Kinetic Theory

We investigate the dynamics of the gas bounded by an infinite flat plate which is initially in equilibrium and set at some instant impulsively into uniform motion in its own plane. We use the Boltzmann equation to describe intermolecular collisions and assume the diffuse reflection to describe the interaction of the gas with the boundary. The Mach number of the plate is assumed to be small so that we can linearize the Boltzmann equation as well as the boundary condition. We show that the asymptotic behavior of the gas represents a perturbation to the free molecular gas when the time is much less than the mean free time. On the other hand, if the time is much greater than the mean free time, we show that the gas dynamics is governed by the linearized Navier–Stokes equation with a slip flow on the boundary and establish a boundary layer correction with thickness of the order of the mean free path. We also establish the singularity of velocity distribution function along the particle trajectory near the boundary.     

Boundary slip on smooth hydrophobic surfaces: intrinsic effects and possible artifacts

We report an accurate determination of the hydrodynamic boundary condition of simple liquids flowing on smooth hydrophobic surfaces using a dynamic surface force apparatus equipped with two independent subnanometer resolution sensors. The boundary slip observed is well defined and does not depend on the scale of investigation from one to several hundreds of nanometers, nor on shear rate up to 5 x 10(3)s(-1). The slip length of 20 nm is in good agreement with theory and numerical simulations concerning smooth nonwetting surfaces. These results disagree with previous data in the literature reporting very high boundary slip on similar systems. We discuss possible origins of large slip length on smooth hydrophobic surfaces due to their contamination by hydrophobic particles.     

Pressure-driven transient flows of Newtonian fluids through microtubes with slip boundary

Recent advances in microscale experiments and molecular simulations confirm that slip of fluid on solid surface occurs at small scale, and thus the traditional no-slip boundary condition in fluid mechanics cannot be applied to flow in micrometer and nanometer scale tubes and channels. On the other hand, there is an urgent need to understand fluid flow in micrometer scale due to the emergence of biochemical lab-on-the-chip system and micro-electromechanical system fabrication technologies. In this paper, we study the pressure driven transient flow of an incompressible Newtonian fluid in microtubes with a Navier slip boundary condition. An exact solution is derived and is shown to include some existing known results as special cases. Through analysis of the derived solution, it is found that the influences of boundary slip on the flow behaviour are qualitatively different for different types of pressure fields driving the flow. For pressure fields with a constant pressure gradient, the boundary slip does not alter the interior material deformation and stress field; while, for pressure fields with a wave form pressure gradient, the boundary slip causes the change of interior material deformation and consequently the velocity profile and stress field. We also derive asymptotic expressions for the exact solution through which a parameter is identified to dominate the behaviour of the flow driven by the wave form pressure gradient, and an explicit formulae for the critical slip parameter leading to the maximum transient flow rate is established.