分子動力学法による気体分子-固体表面間相互作用の解析 : 第3報, 壁面反射モデルの構築

概要

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The Multi-Stage model for diatomic molecules scattering from solid surfaces is presented, which is based on the large body of data obtained from molecular dynamics calculations and molecular beam experiments. The molecular dynamics method is used for the numerical analysis on the scattering of an oxygen gas molecule from a clean graphite surface. The angular and velocity distribution agrees well with experimental results, which was shown in our previous report. The scattering direction, translational energy and rotational energy of the gas molecule after each collision is saved for the data base. The basic idea of the model is to separate the collision into different stages. At each stage, the energy loss, the scattering direction and the trapping probability of the gas molecule will be determined. The angular and velocity distribution of the model agrees with those of molecular beam experiments.
社団法人日本機械学会の論文
1998-12-25