Rarefied gas flow has received wide attention due to the booming of micro/nano-electromechanical systems and aerospace engineering. Under such rarefied conditions, the frequency of intermolecular collisions is sharply reduced, so the impacts of interactions between gas molecules and the wall surface on flow states become non-negligible. Owing to the complexity of theoretical research and the poor reproducibility of experimentation, molecular dynamics simulation has developed into an effective method to study the interplay between gases and solid surfaces. In this study, molecular dynamics simulations on the scattering process of nitrogen molecules from a platinum surface are conducted in a three-dimensional system. The dependences of scattering angle distributions and momentum/energy variations on the incident velocity, angles, and surface roughness are obtained. The results of this paper are not only an attempt to reveal the mechanisms of gas–surface interactions but can also be used as necessary reference data for the development of appropriate gas–surface interaction models.

中文翻译：

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分子束法研究铂表面氮分子的散射特性的分子动力学

由于微/纳米机电系统和航空工程的蓬勃发展，稀薄的气流受到了广泛的关注。在这种稀疏条件下，分子间碰撞的频率急剧降低，因此气体分子与壁表面之间的相互作用对流动状态的影响变得不可忽略。由于理论研究的复杂性和实验的可重复性差，分子动力学模拟已成为研究气体与固体表面相互作用的有效方法。在这项研究中，在三维系统中进行了氮分子从铂表面散射过程的分子动力学模拟。散射角分布和动量/能量变化对入射速度，角度，获得表面粗糙度。本文的结果不仅是试图揭示气体-表面相互作用的机理，而且还可以用作开发适当的气体-表面相互作用模型的必要参考数据。