Department of Aeronautics and Astronautics, National Cheng Kung University, Tainan 701, Taiwan, ROC.
J Mol Graph Model. 2013 May;42:32-8. doi: 10.1016/j.jmgm.2013.02.013. Epub 2013 Mar 14.
The aim of this work is to investigate argon flow behaviors through the channels with three types of boundary conditions. Current work deals with numerical simulations of rarefied gas flow through nano-channels using the Molecular Dynamics method. Taking into account that this method is very time consuming, we implemented all the simulations using CUDA capable graphic cards. We found that the well-known and relatively simple Maxwell model of boundary conditions is able to reproduce gas flow through a tungsten channel with irregularities and roughness, while it results in a significant error in the case of a smooth metal surface. We further found that the flow rate through a relatively short channel correlates nonlinearly with the channel's length. This finding is in contrast with the results available in extant literature. Our results are important for both numerical and theoretical analyses of rarefied gas flow in micro- and nano-systems where the choice of boundary conditions significantly influences flow.
本工作旨在研究三种边界条件下通道内的氩气流行为。目前的工作涉及使用分子动力学方法对纳米通道内稀薄气体流动的数值模拟。考虑到这种方法非常耗时,我们使用具有 CUDA 功能的图形卡来实现所有的模拟。我们发现,众所周知且相对简单的 Maxwell 边界条件模型能够再现具有不规则性和粗糙度的钨通道中的气体流动,而在光滑金属表面的情况下,它会导致显著的误差。我们进一步发现,通过相对较短的通道的流量与通道的长度呈非线性相关。这一发现与现有文献中的结果形成了对比。我们的结果对于微纳米系统中稀薄气体流动的数值和理论分析都很重要,因为边界条件的选择会显著影响流动。