Molecular dynamics simulation of liquid argon flow at platinum surfaces

The micro Poiseuille flow for liquid argon flowing in a nanoscale channel formed by two solid walls was studied in the present paper. The solid wall material was selected as platinum, which has well established interaction potential. We consider the intermolecular force not only among the liquid argon molecules, but also between the liquid argon atoms and the solid wall particles, therefore three regions, i.e. the liquid argon computation domain, the top and bottom solid wall regions are included for the force interaction. The present MD (Molecular Dynamics) simulation was performed without any assumptions at the wall surface. The objective of the study is to find how the flow and the slip boundaries at the wall surface are affected by the applied gravity force, or the shear rate. The MD simulations are performed in a nondimensional unit system, with the periodic boundary conditions applied except in the channel height direction. Once the steady state is reached, the macroscopic parameters are evaluated using the statistical mechanics approach. For all the cases tested numerically in the present paper, slip boundaries occur, and such slip velocity at the stationary wall surface increases with increasing the applied gravity force, or the shear rate. The slip length, which is defined as the distance that the liquid particles shall travel beyond the wall surfaces to reach the same velocity as the wall surface, sharply decreases at small shear rate, then slightly decreases with increasing the applied shear rate. We observe that the liquid viscosity remains nearly constant at small shear rates, and the Newtonian flow occurs. However, with increasing the shear rate, the viscosity increases and the non-Newtonian flow appears.     

The effects of surface roughness geometry of flow undergoing Poiseuille flow by molecular dynamics simulation

Numerical simulation of Poiseuille flow of liquid Argon in a rough nano-channel using the non-equilibrium molecular dynamics simulation is performed. Density and velocity profiles across the channel are investigated in which roughness is implemented only on the lower wall. The Lennard–Jones potential is used to model the interactions between all particles. The effects of surface roughness geometry, gap between roughness elements (or roughness periodicity), surface roughness height and surface attraction energy on the behavior of the flow undergoing Poiseuille flow are presented. Results show that surface shape and roughness height have a decisive role on the flow behaviors. In fact, by increasing the roughness ratio (height to base ratio), the slip velocity and the maximum velocity in the channel cross section are reduced, and the density fluctuations near the wall increases. Results also show that the maximum density near the wall for a rough surface is less than a smooth wall. Moreover, the simulation results show that the effect of triangle roughness surface on the flow behavior is more than the cylindrical ones.     

Quadratic programming algorithm for wall slip and free boundary pressure condition

Wall slip is often observed in a highly sheared fluid film in a solid gap. This makes a difficulty in mathematical analysis for the hydrodynamic effect because fluid velocity at the liquid–solid interfaces is not known a priori. If the gap has a convergent–divergent wedge, a free boundary pressure condition, i.e. Reynolds pressure boundary condition, is usually used in the outlet zone in numerical solution. This paper, based on finite element method and parametric quadratic programming technique, gives a numerical solution technique for a coupled boundary non‐linearity of wall slip and free boundary pressure condition. It is found that the numerical error decreases with the number of elements in a negative power law having an index larger than 2. Our method does not need an iterative process and can simultaneously gives rise to fluid film pressure distribution, wall slip velocity and surface shear stress. Wall slip always decreases the hydrodynamic pressure. Large wall slip even causes a null hydrodynamic pressure in a pure sliding solid gap. Copyright © 2005 John Wiley & Sons, Ltd.     

Influence of wall slip on the hydrodynamic behavior of a two-dimensional slider bearing

In the present paper, a multi-linearity method is used to address the nonlinear slip control equation for the hydrodynamic analysis of a two-dimensional (2-D) slip gap flow. Numerical analysis of a finite length slider bearing with wall slip shows that the surface limiting shear stress exerts complicated influences on the hydrodynamic behavior of the gap flow. If the slip occurs at either the stationary surface or the moving surface (especially at the stationary surface), there is a transition point in the initial limiting shear stress for the proportional coefficient to affect the hydrodynamic load support in two opposite ways: it increases the hydrodynamic load support at higher initial limiting shear stresses, but decreases the hydrodynamic load support at lower initial limiting shear stresses. If the slip occurs at the moving surface only, no fluid pressure is generated in the case of null initial limiting shear stress. If the slip occurs at both the surfaces with the same slip property, the hydrodynamic load support goes off after a critical sliding speed is reached. A small initial limiting shear stress and a small proportionality coefficient always give rise to a low friction drag. The project supported by the National Natural Science Foundation of China (10421002, 10332010), the National Basic Research Program of China (2006CB601205), and the Science Research Foundation of Liaoning Province (20052178). The English text was polished by Yunming Chen.     

滑滚表面间的流体膜壁面滑移和流体动力学

经典雷诺润滑理论建立在无壁面滑移的假设基础之上。近年来许多试验报告了发生在流体膜流动的壁面滑移证据。本文研究了两固体表面间的流体膜流动特性和流体动力学,发现壁面滑移显著影响膜的流体动力学问题,流体动压力不仅受黏度和几何间隙的影响,而且还由壁面滑移和表面运动强力控制,通过控制表面的吸附性质,甚至可以得到零摩擦表面。另一方面,如果两个表面具有相同的滑移特性,存在一个临界滑动速度使得流体动压效应完全消失;但是在纯滚动条件下,即使界面极限剪应力很小,仍然有相当可观的流体动压效应。     

Determination of the wall slip velocity in the flow of a SBR compound

Rubber compounds are known to exhibit slip at the wall in particular flow conditions. The slip velocity is usually determined by using the classical Mooney method. The rheological behavior of a styrene butadiene rubber (SBR) compound was studied with three different rheometers. Biconical rotational, capillary and slit die rheometers were used to define the true viscous behavior of the compound and the slip velocity. It was shown that it was impossible to apply the Mooney method to our experimental data. New characterizations were thus developed for both capillary and slit die experiments. They were based on the dependency of the slip velocity on the local flow gap. Contrarily to the Mooney method, they provided physically acceptable results and led to a power-law relationship between wall slip, wall shear stress and local geometry of the flow.     

Wall Boundary Layers for Maxwell Liquids

Flows of viscoelastic liquids at high Weissenberg number exhibit stress boundary layers near walls. These boundary layers are caused by the memory of the fluid: while particles at the wall remain in their position, particles at some distance from the wall move a long distance within one relaxation time if the Weissenberg number is high. Since the stresses depend on the flow history, this causes a steep boundary layer to form. A rescaling of the variables exploiting the thinness of this boundary layer can be used to derive a reduced set of boundary layer equations. This paper addresses the question of existence of solutions for these boundary layer equations. Using an implicit function argument, we prove the existence of a large class of solutions which arise from spatially periodic perturbations of uniform shear flow. The solutions we find can be characterized by the shear rate outside the boundary layer, which can be prescribed arbitrarily. Accepted: September 27, 1999     

New measurements of the flow-curves for Carbopol dispersions without slip artefacts

The thickening properties of many commercial thickeners are difficult to measure because of wall slip artefacts. Here we report a series of experiments on a typical thickener where these artefacts have been successfully eliminated. As a result, complete, steady-state flow-curves of aqueous Carbopol 980 (the toxicologically preferred version of the older and more well-known Carbopol 940) dispersions are reported for a range of concentrations of 0.045–1.0 wt%. The vane-and-basket flow geometry was used to avoid slip problems at low shear stress, with the geometry housed in a TA AR1000-N controlled-stress rheometer, whilst a Haake RV2 viscometer with an SV2P and MV2P concentric-cylinder geometries were used at higher shear rates. The flow-curves obtained show a smooth but steep transition from a very high Newtonian viscosity at low shear stress to a much lower viscosity at high shear stress. No real yield stresses were detected, but the higher shear rate results can be fitted to the Herschel-Bulkley model, which assumes an apparent yield stress. The various model parameters are displayed as a function of Carbopol concentration. Received: 29 November 2000/Accepted: 26 February 2001     

Injection and suction of an upper-convected maxwell fluid through a porous-walled tube

The steady-state, similarity solutions of the flow of an upper-convected Maxwell fluid through a tube with a porous wall are constructed by asymptotic and numerical analyses as functions of the direction of flow through the tube, the amount of elasticity in the fluid, as measured by the Deborah number De, and the degree of fluid slip along the tube wall. Fluid slip is assumed to be proportional to the local shear stress and is measured by a slip parameter β that ranges between no-slip (β = 1) and perfect slip (β = 0). The most interesting results are for fluid injection into the tube. For β = 1, the family of flows emanating from the Newtonian limit (De = 0) has a limit point where it turns back to lower values of De. These solutions become asymptotic to De = 0) and develop an O(De) boundary layer near the tube wall with singularly high stresses matched to homogeneous elongational flow in the core. This solution structure persists for all nonzero values of the slip parameter. For β ≠ 1, a family of exact solutions is found with extensional kinematics, but nonzero shear stress convected into the tube through the wall. These flows differ for low De from the Newtonian asymptote only by the absence of the boundary layer at the tube wall. Finite difference calculations evolve smoothly between the Newtonian-like and extensional solutions because of approximation error due to under-resolution of the boundary layer. The radial gradient of the axial normal stress of the extensional flow is infinite at the centerline of the tube for De > 1; this singularity causes failure of the finite difference approximations for these Deborah numbers unless the variables are rescaled to take the asymptotic behavior into account.     

Rheology of shear thickening suspensions and the effects of wall slip in torsional flow

The rheological characterisation of concentrated shear thickening materials suspensions is challenging, as complicated and occasionally discontinuous rheograms are produced. Wall slip is often apparent and when combined with a shear thickening fluid the usual means of calculating rim shear stress in torsional flow is inaccurate due to a more complex flow field. As the flow is no longer “controlled”, a rheological model must be assumed and the wall boundary conditions are redefined to allow for slip. A technique is described where, by examining the angular velocity response in very low torque experiments, it is possible to indirectly measure the wall slip velocity. The suspension is then tested at higher applied torques and different rheometer gaps. The results are integrated numerically to produce shear stress and shear rate values. This enables the measurement of true suspension bulk flow properties and wall slip velocity, with simple rheological models describing the observed complex rheograms.     

Numerical simulation of the transition from adhesion to slip with friction in generalized Newtonian Poiseuille flow

The axisymmetric Poiseuille flow of a purely viscous generalized Newtonian fluid under rate of flow controlled conditions is studied with a change in the boundary conditions at a transition point from an adhesive to a slip condition with friction at the wall. The friction law used originates from an experimental study by (J.M. Piau and N. El Kissi, J. Non-Newtonian Fluid Mech. 54 (1994) 121–142) using a capillary made of steel and a silicone fluid, and is based also on a molecular dynamics theory by (Yu. B. Chernyak, A.I. Leonov, Wear, 108 (1986) 105–138). It gives a non-linear multivalued dependance of the wall shear stress to the velocity at the wall. Moreover, wall shear stress values may become smaller than values obtained when adhesion prevails in the capillary. The shear stress must over-step some limiting stress level to trigger the wall slip. After checking slip boundary condition implementation for the case of Poiseuille flow with slip along the entire wall, the convergence and the validity of the computation was studied. Important morphologic changes of the flow field and the stress field appear around the transition point from adhesion to slip boundary condition. Slip at the wall allows the principal stress difference to be drastically reduced, except in the vicinity of the transition point where this difference is maximum. A peak in shear stress located upstream of the transition, and a peak in elongational stress located downstream of the transition, are observed at the wall. Fully developed near plug-like flows are obtained within about 1D only downstream of the transition point. It is concluded that the effect of slip on extrudates distorsion should appear clearly even when the exit slippery zone is reduced to 1D.     

Apparent wall slip velocity measurements in free surface flow of concentrated suspensions

In this work we have experimentally measured the apparent wall slip velocity in open channel flow of neutrally buoyant suspension of non-colloidal particles. The free surface velocity profile was measured using the tool of particle imaging velocimetry (PIV) for two different channels made of plane and rough walls. The rough walled channel prevents wall slip, whereas the plane wall showed significant wall slip due to formation of slip layer. By comparing the velocity profiles from these two cases we were able to determine the apparent wall slip velocity. This method allows characterization of wall slip in suspension of large sized particles which cannot be performed in conventional rheometers. Experiments were carried out for concentrated suspensions of various particle volume concentrations and for two different sizes of particles. It was observed that wall slip velocity increases with particle size and concentration but decreases with increase in the viscosity of suspending fluid. The apparent wall slip velocity coefficients are in qualitative agreement with the earlier measurements. The effect of wall slip on free surface corrugation was also studied by analyzing the power spectral density (PSD) of the refracted light from the free surface. Our results indicate that free surface corrugation is a bulk flow response and it does not arise from boundary problem such as development of slip layer.     

Torsion of rough elastic half-space by rigid punch

Torsion of an elastic half-space by a rigid punch is investigated. The boundary of the half-space is assumed to be rough. Two geometries of the punch-parabolic and flat end are considered. It is shown that the contact area consists of stick and slip zones. This fact, which is well-known in the classical torsional contact of the elastic half-space with the smooth surface and the parabolic punch, also holds true for the flat-ended punch if the boundary roughness is involved. The partial slip problems are reduced to the integral equations, which are solved numerically. The presented results show the effects of boundary roughness on the shear stresses, size of the stick area and the relation between the twisting moment and the angle of twist.     

Wall effects in simple shear of dilute polymer solution: exact results for very narrow and very wide channels

The effect of the presence of walls for simple shear of a dilute macro-molecular solution is studied. For Gaussian dumbbell model macromolecules, exact analytic results for all rheological quantities are obtained for very small and very large (but finite) channels, respectively. The concept of a slip velocity and of a pure solvent layer close to either wall, though useful for the shear stresses, cannot be used for the normal stresses.     

压力相关的壁面滑移在滑动间隙流体动压力产生中的作用

近年来,壁面滑移在纳米流变学、微流体力学、薄模润滑和微机电系统(MEMS)等领域越来越引起关注。以前大部分研究集中于表面初始极限剪应力对薄模润滑的壁面滑移和流体动力学的影响。本文通过一个极限剪切应力比例系数主要研究了与压力相关的壁面滑移滑动间隙流体动压力产生中的作用,发现极限剪切应力比例系数以相反的两种方式影响着流体膜的流体动力学:在高初始剪应力区使流体动力增加,但在低初始剪应力区使流体动力减小,这意味着就极限剪切应力比例系数影响流体动压力而言,存在一个初始极限剪切应力的转换点。但是在界面滑移存在时,较小的极限剪切应力比例系数总是产生较小的摩擦阻力。     

Boundary conditions for stokes flows near a porous membrane

A theoretical development is carried out to model the boundary conditions for Stokes flows near a porous membrane, which, in general, allows non-zero slip as well as normal flow at the surface. Two types of models are treated: an infinitesimally thin plate with a periodic array of circular apertures and a series of parallel slits. For Stokes flows, the mean normal flux and slip velocity are proportional to the pressure difference across the membrane and the average shear stress at the membrane, respectively. The appropriate proportionality constants which depend on the membrane geometry are calculated as functions of the porosity. An interesting feature of the results is that the slip at the membrane has, in general, a direction different from that of the applied shear for these models.     

Dynamic simulation of the hydrodynamic interaction among immersed particles in Stokes flow

A numerical method for the dynamic simulation of the hydrodynamic interaction among particles in Stokes flow is developed. The method couples the quasi-static Stokes equations for the fluid with the equilibrium equations for the particles. The boundary element method is used to represent the velocity at a general field point in terms of surface velocities and stresses. However, neither the stresses nor the velocities are assumed to be known on the surface of the particles. Kinematic equations relating the linear and angular velocities at the centroids of the particles to the surface velocities are combined with the discretized boundary element equations and the equilibrium equations to generate a system of linear equations. The associated coefficient matrix is correspondent to the grand resistance matrix which relates the velocities of the particles to a given geometry.     

Squeeze flow of a power-law fluid between two rigid spheres with wall slip

ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅｓｑｕｅｅｚｅｆｌｏｗｏｆａｆｌｕｉｄｂｅｔｗｅｅｎｔｗｏｄｉｓｋｓｏｒｓｐｈｅｒｅｓｉｓｏｆｒｅｌｅｖａｎｃｅｔｏｍａｎｙａｐｐｌｉｃａｔｉｏｎｓ,ｉｎｃｌｕｄｉｎｇｔｈｅｆｏｒｍｉｎｇｏｆｐｏｌｙｍｅｒｍａｔｅｒｉａｌｓ ,ｓｑｕｅｅｚｅｆｌｏｗｒｈｅｏｍｅｔｅｒａｎｄｌｕｂｒｉｃａｔｉｏｎｏｆｂｅａｒｉｎｇｓ.Ｔｈｅｓｑｕｅｅｚｅｆｌｏｗｉｎｔｅｒａｃｔｉｏｎｂｅｔｗｅｅｎｓｏｌｉｄｐａｒｔｉｃｌｅｓｉｓａｌｓｏｆｕｎｄａｍｅｎｔａｌｔｏｔｈｅｃｏｍｐｌｅｘｒｈｅ…     

A review on wall slip in high solid dispersions

High solid dispersions are soft materials made of colloidal or non-colloidal particles dispersed at high volume fractions in a liquid matrix. They include hard sphere glasses, colloidal pastes, concentrated emulsions, foams, and vesicles. These materials are prone to exhibit different kinds of flow heterogeneities: shear banding, wall slip, and fracture. While wall slip is often considered as a nuisance by experimentalists, it appears to be a fundamental component to the way that high solid dispersions respond to mechanical deformation. Moreover, the ability of soft materials to slip onto surfaces allows them to move readily and efficiently in many natural phenomena and industrial processes. This review surveys recent developments and current research in the field. Topics like wall slip detection and control, microscopic modeling for rigid and soft particles materials, and the relation between wall slip and other flow heterogeneities are discussed. We also identify important open issues for future research.     

弯曲动脉的血流动力学数值分析

利用计算流体力学的理论和方法对弯曲动脉中的血流动力学进行数值分析，是研究心血管疾病流体动力学机理的一种行之有效的方法。本文将升主动脉、主动脉弓和降主动脉联系起来作为弯曲动脉几何模型，给出了血液流动的边界条件以及计算条件。根据生理脉动流条件，对狗的弯曲动脉几何模型内发展中的血液流动进行了有限元数值模拟，并利用可视化方法对血液流动的轴向速度、二次流、壁面切应力等计算结果进行了分析。研究结果表明，在弯管内侧壁处，同时存在主流方向和二次流方向的回流，此处容易形成涡流。弯管内侧壁比外侧壁的壁面切应力具有更强的脉动性。