摘要
本文根据分子动力学方法,计算了N_2分子在W(001)表面的吸附过程。结果给出了吸附过程中的几类分子动态特征,以及态-态过程的吸附几率。根据计算结果,考察了各种能量形式对吸附几率的影响和各类吸附几率的变化规律。
According to the potential of the interaction of a gas molecule with a solid surface, the molecule of nitrogen scattered by tungsten surface, the motional trajectories,and the probabilities of adsorption can be comprehended. Motional trajectories show that the molecular and different atomic adsorptions can take place. From these trajectories,an illustrative picture is provided to study the molecular dynamical character. The probabilities of adsorption show that the effect of translational energy is remarkable. When translational energy is lower, the molecular adsorption is important,and uniatomic adsorption is essential when the translational energy is higher.
基金
成都科技大学科学基金
