A new model for dissipative particle dynamics boundary condition of walls with different wettabilities

The implementation of solid-fluid boundary condition has been a major challenge for dissipative particle dynamics(DPD)method.Current implementations of boundary conditions usually try to approach a uniform density distribution and a velocity profile close to analytical solution.The density oscillations and slip velocity are intentionally eliminated,and different wall properties disappear in the same analytical solution.This paper develops a new wall model that combines image and frozen particles and a new strategy to emphasize different wall properties especially wettabilities.The strategy first studies the realistic wall-fluid system by molecular dynamics(MD)simulation depending on physical parameters.Then,a DPD simulation is used to match the density and velocity profiles with the new wall model.The obtained DPD parameters can simulate the systems with the same wall and fluid materials.With this method,a simulation of the Poiseuille flow of liquid argon with copper walls is presented.Other walls with super-hydrophilic,hydrophilic,and hydrophobic wettabilities are also simulated.The limitations of the analytical solution and the effect of the wall-fluid interaction are discussed.The results show that the method suggested in this paper can simulate the mesoscale behavior of the microchannel flow related to realistic systems.     

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.     

Imposing accurate wall boundary conditions in corrective‐matrix‐based moving particle semi‐implicit method for free surface flow

Corrective matrix that is derived to restore consistency of discretization schemes can significantly enhance accuracy for the inside particles in the Moving Particle Semi‐implicit method. In this situation, the error due to free surface and wall boundaries becomes dominant. Based on the recent study on Neumann boundary condition (Matsunaga et al, CMAME, 2020), the corrective matrix schemes in MPS are generalized to straightforwardly and accurately impose Neumann boundary condition. However, the new schemes can still easily trigger instability at free surface because of the biased error caused by the incomplete/biased neighbor support. Therefore, the existing stable schemes based on virtual particles and conservative gradient models are applied to free surface and nearby particles to produce a stable transitional layer at free surface. The new corrective matrix schemes are only applied to the particles under the stable transitional layer for improving the wall boundary conditions. Three numerical examples of free surface flows demonstrate that the proposed method can help to reduce the pressure/velocity fluctuations and hence enhance accuracy further.     

基于离散单元法和人工神经网络的近壁颗粒动力学特征研究

颗粒与壁面的相互作用往往对颗粒流动具有显著影响. 为研究颗粒与壁面作用机理, 对滚筒内颗粒流动过程进行离散单元法(DEM)数值模拟. 基于模拟结果统计分析靠近壁面处颗粒的运动特征, 结果表明, 小摩擦系数时颗粒平动和旋转速度均近似满足正态分布, 但由于壁面影响, 摩擦系数增大时颗粒沿滚筒轴向的旋转速度偏离正态分布, 颗粒动力学理论推导壁面边界条件时应考虑速度正态分布的修正及速度脉动的各向异性. 采用人工神经网络(ANN)构建了颗粒无因次旋转温度、滑移速度和平动温度之间的函数模型, 进而可以在常规双流模型壁面边界条件中考虑颗粒旋转的影响. 基于DEM模拟及结果分析可以为壁面边界条件的理论构造和半经验修正提供基础数据和封闭模型.      

Implementation of slip boundary conditions in the finite volume method: new techniques

Two different techniques for the implementation of the linear and nonlinear slip boundary conditions into a finite volume method based numerical code are presented. For the linear Navier slip boundary condition, an implicit implementation in the system of equations is carried out for which there is no need for any relaxation, especially when handling high slip coefficients. For three different nonlinear slip boundary conditions, two different methods are devised, one based on solving a transcendental equation for the boundary and the other on the linearization of the slip law. For assessment purposes, comparison is made between these new methods and the usual iterative process. With these new methods, the convergence difficulties, typical of the iterative procedure, are eliminated, and for some of the test cases, the convergence rate even increased with the slip velocity. The details of these implementations are given first for a simple geometry using orthogonal meshes and Cartesian coordinates followed by their generalization to non‐Cartesian coordinates and nonorthogonal meshes. The developed code was tested in the benchmark slip‐stick and 4:1 contraction flows, evidencing the robustness of the proposed procedures. Copyright © 2013 John Wiley & Sons, Ltd.     

Simulation of incompressible viscous flows around moving objects by a variant of immersed boundary‐lattice Boltzmann method

A variant of immersed boundary‐lattice Boltzmann method (IB‐LBM) is presented in this paper to simulate incompressible viscous flows around moving objects. As compared with the conventional IB‐LBM where the force density is computed explicitly by Hook's law or the direct forcing method and the non‐slip condition is only approximately satisfied, in the present work, the force density term is considered as the velocity correction which is determined by enforcing the non‐slip condition at the boundary. The lift and drag forces on the moving object can be easily calculated via the velocity correction on the boundary points. The capability of the present method for moving objects is well demonstrated through its application to simulate flows around a moving circular cylinder, a rotationally oscillating cylinder, and an elliptic flapping wing. Furthermore, the simulation of flows around a flapping flexible airfoil is carried out to exhibit the ability of the present method for implementing the elastic boundary condition. It was found that under certain conditions, the flapping flexible airfoil can generate larger propulsive force than the flapping rigid airfoil. Copyright © 2009 John Wiley & Sons, Ltd.     

Effects of slip velocity and surface acoustic wave on the laminar flow stability

The stability of slip flows when a surface acoustic wave (SAW) propagating along the walls of a microchannel in the laminar flow regime is investigated. The governing equation which was derived by considering the weakly nonlinear coupling between the deformable wall and streaming slip flow is linearized and then the eigenvalue problem is solved by a numerical code together with the associated interface and slip velocity boundary conditions. The value of the critical Reynolds number was found to be near 1,441 for a Knudsen number being 0.001 (associated with a physical parameter K ₀ characterizing the SAW effect) which is much smaller than the static-wall case for conventional pressure-driven flows.     

Navier-Stokes方程二阶速度滑移边界条件的检验

对微尺度气体流动,Navier-Stokes方程和一阶速度滑移边界条件的结果与实验数据相比,在滑移区相互符合,在过渡领域则显著偏离.为改善Navier-Stokes方程在过渡领域的表现,有些研究者尝试引入二阶速度滑移边界条件,如Cercignani模型,Deissler模型和Beskok-Karniadakis模型.以微槽道气体流动为例,将Navier-Stokes方程在不同的二阶速度滑移模型下的结果与动理论的直接模拟Monte Carlo(DSMC)方法和信息保存(IP)方法以及实验数据进行比较.在所考察的3种具有代表性的二阶速度滑移模型中,Cercignani模型表现最好,其所给出的质量流率在Knudsen数为0.4时仍与DSMC和IP结果相符;然而,细致比较表明,Cercignani模型给出的物面滑移速度及其附近的速度分布在滑流区和过渡领域的分界处(Kn=0.1)已明显偏离DSMC和IP的结果.     

The effect of the slip condition on Stokes and Couette flows due to an oscillating wall: exact solutions

Stokes and Couette flows produced by an oscillatory motion of a wall are analyzed under conditions where the no-slip assumption between the wall and the fluid is no longer valid. The motion of the wall is assumed to have a generic sinusoidal behavior. The exact solutions include both steady periodic and transient velocity profiles. It is found that slip conditions between the wall and the fluid produces lower amplitudes of oscillations in the flow near the oscillating wall than when no-slip assumption is utilized. Further, the relative velocity between the fluid layer at the wall and the speed of the wall is found to overshoot at a specific oscillating slip parameter or vibrational Reynolds number at certain times. In addition, it is found that wall slip reduces the transient velocity for Stokes flow while minimum transient effects for Couette flow is achieved only for large and small values of the wall slip coefficient and the gap thickness, respectively. The time needed to reach to steady periodic Stokes flow due to sine oscillations is greater than that for cosine oscillations with both wall slip and no-slip conditions.     

Particle dynamics calculations of wall stresses and slip velocities for couette flow of smooth inelastic spheres

The objective of this work is to characterize the effects of boundary geometry on the flow of dry granular materials composed of smooth, inelastic spheres between parallel, bumpy walls in the absence of gravity. Particle dynamic simulations are done in which wall stresses and slip velocities are computed over a wide range of parameters, including shear gap height, geometry of the wall particles, wall to free particle diameter ratio, and normal restitution coefficient. Calculated wall stresses and slip velocities are found to be highly sensitive to boundary roughness, which is characterized in terms of the mean spacing value for the wall particles. Most noticeable is a pronounced stress drop for dense flows with an associated large slip velocity in a system having a narrow shear gap height.     

EFFECT OF WALL SLIP ON SQUEEZE FLOW OF RIGID-PLASTIC MEDIA BETWEEN PARALLEL DISK

The squeeze flow of a rigid-plastic medium between parallel disks is considered for small gaps with partial wall slip. The stress distribution and the squeeze force between parallel disks of a rigid-plastic medium with the following four different slip boundary conditions are obtained. (1) The Coulombic friction condition is applied, and the stress distribution on the wall is derived, which is linear or exponential distribution in the no-slip area or slip area. (2) It is assumed that the slip velocity at the disks increases linearly with the radius up to the rim slip velocity, with the stress distribution and the squeeze force gained. (3) The assumption that the slip velocity at the disks is related to the shear stress component is used, with the stress distribution and the squeeze force obtained, which is equivalent to the result given in (2). (4) Rational velocity components are introduced, and the stress distribution is satisfied.     

Practical techniques for a three‐dimensional FEM analysis of incompressible fluid flow contained with slip walls and a downstream tube bundle

Two practical techniques are proposed in this paper to simulate a flow contained in a plenum with a downstream tube bundle under a PC environment. First, a technique to impose slip wall conditions on smooth‐faced planes and sharp edges is proposed to compensate for the mesh coarseness relative to boundary layer thickness. In particular, a new type of Poisson equation is formulated to simultaneously satisfy both such velocity boundary conditions on walls and the incompressibility constraint. Second, a numerical model for a downstream tube bundle is proposed, where hydraulic resistance in a tube is imposed as a traction boundary condition on a fluid surface contacting the tube bundle end. The effectiveness of the techniques is numerically demonstrated in the application to a flow in a condenser water box. Copyright © 2001 John Wiley & Sons, Ltd.     

A constrained particle dynamics for continuum-particle hybrid method in micro- and nano-fluidics

A hybrid method of continuum and particle dynamics is developed for micro- and nano-fluidics, where fluids are described by a molecular dynamics (MD) in one domain and by the Navier–Stokes (NS) equations in another domain. In order to ensure the continuity of momentum flux, the continuum and molecular dynamics in the overlap domain are coupled through a constrained particle dynamics. The constrained particle dynamics is constructed with a virtual damping force and a virtual added mass force. The sudden-start Couette flows with either non-slip or slip boundary condition are used to test the hybrid method. It is shown that the results obtained are quantitatively in agreement with the analytical solutions under the non-slip boundary conditions and the full MD simulations under the slip boundary conditions.The project supported by Chinese Academy of Sciences under the innovative project “Multi-scale modelling and simulation in complex system” (KJCX-SW-L08) and National Natural Science Foundation of China (10325211).     

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.     

Analysis on creeping channel flows of compressible fluids subject to wall slip

Creeping channel flows of compressible fluids subject to wall slip are widely encountered in industries. This paper analyzes such flows driven by pressure in planar as well as circular channels. The analysis elucidates unsteady flows of Newtonian fluids subject to the Navier slip condition, followed by steady flows of viscoplastic fluids, in particular, Herschel–Bulkley fluids and their simplifications including power law and Newtonian fluids, that slip at wall with a constant coefficient or a coefficient inversely proportional to pressure. Under the lubrication assumption, analytical solutions are derived, validated, and discussed over a wide range of parameters. Analysis based on the derived solutions indicates that unsteadiness alters cross-section velocity profiles. It is demonstrated that compressibility of the fluids gives rise to a concave pressure distribution in the longitudinal direction, whereas wall slip with a slip coefficient that is inversely proportional to pressure leads to a convex pressure distribution. Energy dissipation resulting from slippage can be a significant portion in the total dissipation of such a flow. A distinctive feature of the flow is that, in case of the pressure-dependent slip coefficient, the slip velocity increases rapidly in the flow direction and the flow can evolve into a pure plug flow at the exit.     

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。     

等壁温加热微通道内气体流动换热特性的直接蒙特卡罗模拟

用直接模拟蒙特卡罗方法对压力边界条件下气体在微通道内的流动换热特性进行了研究,给出了壁面与来流存在温差时的沿程速度分布特点,以及在可压缩性与换热条件综合作用下的温度分布特点。研究结果表明:微通道内气体可压缩性作用显著,温度分布由可压缩性和换热强度的相对强弱综合决定;壁面与来流存在温差时气体沿程速度分布型线在入口段内上凸;壁温高于来流温度时,气流速度与等温流动工况下的速度的相对大小与气体稀薄性有关。     

On flows of third-grade fluids with non-linear slip boundary conditions

We prove the existence and uniqueness of steady flows of incompressible fluids of grade three subject to slip and no-slip boundary conditions in bounded domains. The slip boundary condition is a non-linear generalization of the Navier slip boundary condition and permits situations in which the solid boundary undergoes non-rigid tangential motion. The existence proof is based on a fixed point method in which the boundary-value problem is decomposed into four linear problems.     

An improved near‐wall modeling for large‐eddy simulation using immersed boundary methods

An improved near‐wall modeling for large‐eddy simulation using the immersed boundary method is proposed. It is shown in this study that the existing near‐wall modeling for the immersed boundary (IB) methods that imposes the velocity boundary condition at the IB node is not sufficient to enforce a correct wall shear stress at the IB node. A new method that imposes a shear stress condition through the modification of the subgrid scale‐eddy viscosity at the IB node is proposed. In this method, the subgrid eddy viscosity at the IB node is modified such that the viscous flux at the face adjacent to the IB node correctly approximates the total shear stress. The method is applied to simulate the fully developed turbulent flows in a plane channel and a circular pipe. It is demonstrated that the new method improves the prediction of the mean velocity and turbulence stresses in comparison with the existing wall modeling based solely on the velocity boundary condition. Copyright © 2015 John Wiley & Sons, Ltd.