采用分子动力学与有限容积法多尺度耦合算法对粗糙微通道内的液体Poiseuille流动进行了模拟。分析了粗糙元高度、分布以及几何形状对通道内流动速度和边界滑移长度的影响。结果表明：随着粗糙元高度的增加,流动速度和粗糙元间隙底部壁面上滑移长度均减小;粗糙元分布越密或不同几何形状粗糙元所对应的固壁原子数越多,滑移长度越小,但流动速度变化不大。综合看来,粗糙元高度是影响微通道内液体流动的最主要因素。
The multiscale hybrid simulation of molecular dynamics and finite volume method is carried out to study the liquid Poiseuille flow through a nanochannel with wall roughness.The effects of roughness height,distribution and shape on the velocity in the whole channel and the slip length are investigated.The results show that the increase of the roughness height results in the reductions of the velocity values and the relative slip length near the rough wall.With the increases of the number of rough arrays and the atom numbers of different roughness shapes,the relative slip length will decrease,but it has little effects on the velocity values.In general,the roughness height is the most important parameter among the studied three affectors.
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