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Research Papers: Flows in Complex Systems

A Study on Slip Characteristics Using Hybrid Particle-Continuum Method

[+] Author and Article Information
Jiandong Yang

Department of Modern Mechanics,
University of Science and Technology of China,
Hefei 230027, China
e-mail: yjdjjy@mail.ustc.edu.cn

Zhenhua Wan, Liang Wang

Department of Modern Mechanics,
University of Science and Technology of China,
Hefei 230027, China

Dejun Sun

Department of Modern Mechanics,
University of Science and Technology of China,
Hefei 230027, China
e-mail: dsun@ustc.edu.cn

1Corresponding author.

Contributed by the Fluids Engineering Division of ASME for publication in the JOURNAL OF FLUIDS ENGINEERING. Manuscript received November 8, 2017; final manuscript received March 25, 2018; published online May 2, 2018. Assoc. Editor: Kwang-Yong Kim.

J. Fluids Eng 140(10), 101101 (May 02, 2018) (11 pages) Paper No: FE-17-1725; doi: 10.1115/1.4039862 History: Received November 08, 2017; Revised March 25, 2018

An effective boundary potential has been proposed to solve nonperiodic boundary condition (NPBC) of hybrid method. The optimized hybrid method is applied to investigate the influences of the channel height and solid–liquid interaction parameters on slip characteristics of Couette flows in micro/nanochannels. By changing the channel height, we find that the relative slip lengths show the obvious negative correlation with the channel height and fewer density oscillations are generated near the solid wall in the larger channel height. Moreover, we continue to investigate the solid–liquid interaction parameters, including the solid–liquid energy scales ratio (C1) and solid–liquid length scales ratio (C2). The results show that the solid–liquid surface changes from hydrophobic to hydrophilic with the increase of C1, the arrangement of liquid particles adjacent to the solid particles is more disorganized over the hydrophobic solid–liquid surface compared with the hydrophilic surface, and the probability of the liquid particles that appear near the solid particles becomes smaller. Meanwhile, the relative slip lengths are minimum when the liquid and solid particles have the same diameter. Furthermore, the relative slip lengths follow a linear relationship with the shear rate when the solid–liquid interaction parameters change. The plenty computational time has been saved by the present hybrid method compared with the full molecular dynamics simulation (FMD) in this paper.

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Figures

Grahic Jump Location
Fig. 1

The schematic of the channel flow model configuration and hybrid computational domain: (a) the model of the MD simulation region including the liquid particle and solid particle, (b) the configuration of hybrid region, and (c) the configuration of O region

Grahic Jump Location
Fig. 2

(a) The location diagram of virtual particle region, (b) schematic for effective boundary force, and (c) the comparison of boundary force from periodic molecular simulation and corrected molecular simulation

Grahic Jump Location
Fig. 3

The simulation results of the Couette flow with the top wall velocity Uup = 1.0σ/τ and the bottom wall velocity Ubo = 0: (a) The transient velocity profiles. The solid lines denote the pure continuum solution, the dotted line denotes the analytical solutions, the solid markers denote the MD solution in particle region, and the empty markers denote the continuum solution in the continuum region. (b) The velocity of the middle of the overlap region for different time intervals. The dots denote the velocity transferred from P region to C region and the line denotes the pure continuum solution.

Grahic Jump Location
Fig. 4

The convergence rate of hybrid velocity toward the reference analytical solutions

Grahic Jump Location
Fig. 5

The velocity profiles in equilibrium state of the Couette flow with different solid–liquid interaction parameters. The solid markers: C1 = 0.2, C2 = 0.75, C3 = 4; the half solid markers: C1 = 0.6, C2 = 0.75, C3 = 4; and the empty markers: C1 = 0.6, C2 = 1.0, C3 = 1. The MD solution in P region, the continuum solution in C region, and simulation results of Cui et al. [28] are denoted by five-pointed star markers, the circle markers, and the square markers, respectively. The dotted lines are the fitting curve.

Grahic Jump Location
Fig. 13

The relative slip lengths with the shear rate increasing: (a) C1 = 0.1, 1, 4, and 10; C2 = 0.76 and (b) C1 = 0.1; C2 = 0.6, 0.7, 0.76, and 1.0

Grahic Jump Location
Fig. 14

The computational time required 40,000 time-step as the function of the channel height. The half solid circle markers represent the computational time obtained by the present hybrid method, the half solid square markers represent the computational time obtained the FMD method.

Grahic Jump Location
Fig. 12

The dimensionless slip velocity and the relative slip lengths with C2 increasing: (a) Lz = 22σ, 45σ, 72σ, and 100σ; C1 = 0.1 and (b) Lz = 22σ; C1 = 0.1, 1.0, 4.0, and 10.0

Grahic Jump Location
Fig. 11

The comparisons of the occurrence probability with the different C1: (a), (c), and (e) for the first layer; (b), (d), and (f) for the second layer

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Fig. 10

The configurations of the MD region at different C1, the red particles are the solid particles and the brown particles are the liquid particles: (a) C1 = 0.1, (b) C1 = 1.4, and (c) C1 = 20

Grahic Jump Location
Fig. 9

The dimensionless velocity profiles along the z direction with different C1

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Fig. 8

The dimensionless slip velocity and the relative slip lengths at different channel heights (Lz = 22σ, 45σ, 72σ, and 100σ) with C1 increasing

Grahic Jump Location
Fig. 7

The density profiles near the bottom wall at the different channel heights

Grahic Jump Location
Fig. 6

The dimensionless slip velocity and the relative slip lengths with the channel height increasing: (a) C1 = 0.1, 1.0, 4.0, and 10.0; C2 = 0.76 and (b) C1 = 0.1; C2 = 0.6, 0.7, 0.76, and 1.0

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