Scattering properties and scattering kernel based on the molecular dynamics analysis of gas-wall interaction
Scattering properties and scattering kernel based on the molecular dynamics analysis of gas-wall interaction
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DOI：
10.1063/1.2770513
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发表时间：
2007-08
影响因子：
4.6
通讯作者：
Kyoji Yamamoto;H. Takeuchi;T. Hyakutake
中科院分区：
文献类型：
--
作者：
Kyoji Yamamoto;H. Takeuchi;T. Hyakutake
用气体-表面相互作用的分子动力学方法研究了氮分子在铂表面反射的散射行为。铂表面被认为是物理上吸附了氙气分子。得到了在小范围内具有特定速度的入射分子反射后的分子速度分布。散射分布呈现出双峰行为，包括漫反射和向入射分子速度分布移动的分布。目前的散射分布与Cercignani-Lampis-Lord散射核的比较显示出很大的差异。在假设每个速度分量的分布相互独立的前提下，提出了一种使用双峰分布的简单散射核，并与现有的散射分布进行了比较。此外，还讨论了分子转动能的散射核。
The scattering behaviors of nitrogen molecules reflected at a platinum surface are studied by the molecular dynamics method for the gas-surface interaction. The platinum surface is assumed to physically adsorb xenon molecules. Distributions of molecular velocities after reflection are obtained for the impinging molecules with specified velocities within a small range. The scattering distribution shows a bimodal behavior consisting of diffuse reflection and a distribution shifting to the velocity distribution of the impinging molecules. Comparison between the present scattering distribution and the Cercignani-Lampis-Lord scattering kernel shows large differences. A simple scattering kernel using a bimodal distribution is proposed assuming mutual independence of distributions in each velocity component and is compared favorably to the present scattering distribution. In addition, the scattering kernel of the rotational energy of the molecule is discussed.