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个人信息Personal Information
教授
博士生导师
硕士生导师
性别:男
毕业院校:德国汉诺威大学
学位:博士
所在单位:力学与航空航天学院
学科:工程力学. 计算力学. 生物与纳米力学
电子邮箱:zhanghw@dlut.edu.cn
Molecular dynamics-based prediction of boundary slip of fluids in nanochannels
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论文类型:期刊论文
发表时间:2012-01-01
发表刊物:MICROFLUIDICS AND NANOFLUIDICS
收录刊物:SCIE、EI
卷号:12
期号:1-4
页面范围:107-115
ISSN号:1613-4982
关键字:Boundary slip; Poiseuille flows; Nanochannel; Molecular dynamics simulation
摘要:Computational modeling and simulation can provide an effective predictive capability for flow properties of the confined fluids in micro/nanoscales. In this paper, considering the boundary slip at the fluid-solid interface, the motion property of fluids confined in parallel-plate nanochannels are investigated to couple the atomistic regime to continuum. The corrected second-order slip boundary condition is used to solve the Navier-Stokes equations for confined fluids. Molecular dynamics simulations for Poiseuille flows are performed to study the influences of the strength of the solid-fluid coupling, the fluid temperature, and the density of the solid wall on the velocity slip at the fluid boundary. For weak solid-fluid coupling strength, high temperature of the confined fluid and high density of the solid wall, the large velocity slip at the fluid boundary can be obviously observed. The effectiveness of the corrected second-order slip boundary condition is demonstrated by comparing the velocity profiles of Poiseuille flows from MD simulations with that from continuum.