摘要
采用流体力学中流量与流速的计算和分子动力学相结合的方法,模拟液态氩在纳米通道内的三维Poiseuille流动和驱动方腔流动,计算流体流速.结果表明:平板形纳米通道内,该方法求得的流速与传统分子动力学方法所求流速基本吻合,可以用该方法计算不同壁面情况下的流速;对于纳米方腔通道内的流体,在不同模型下两种方法计算出的流速分布大致相同,但是其边界速度差别很大,在边界的速度计算方面新方法的精确度更高,收敛速度比传统方法快.
A method is developed with a relationship between volume of fluid and velocity and molecular dynamics method. Flow velocity of liquid argon is calculated in simulations of three-dimensional Poiseuille flows and cavity flows. It shows that calculated flow velocities are basically consistent with that obtained from traditional molecular dynamics method. The method can be applied to various kinds of channel flows. For flows driven in square cavities, calculated velocities are roughly the same, but the boundary velocities are varied widely. Accuracy of the new method is better with a faster convergence rate.
出处
《计算物理》
EI
CSCD
北大核心
2012年第4期503-510,共8页
Chinese Journal of Computational Physics
关键词
纳米尺度流动
分子动力学模拟
流速
速度提取
nanoscale flow
molecular dynamics simulation
flow velocity
velocity extraction