摘要
运用紧束缚势的分子动力学模拟方法，研究了Ｃ６０分子对石墨表面的碰撞，观察在入射动能为２４０ｅＶ时碰撞的微观过程以及动能和势能的变化趋势．结果发现在弹回过程中Ｃ６０分子质心的运动可被看做是在准谐势下的运动，通过碰撞Ｃ６０分子在石墨表面形成了薄膜．
The collision of C60 with a graphite (0001) surface is investigated by molecular dynamics simulation with tight binding potentials. At an impact energy of 240 eV,the simulations provide insight into the microscopic mechanism of the scattering and the changes of the kinetic energy and the potential energy with the time. During the rebounding processes,the molecular center-of-mass motion can be regarded as moving in a quadratic harmonic potential. It is worth noting that C60forms covalent bonds with graphite (0001)surface,furthermore,forms the thin film on the surface.
出处
《聊城师院学报（自然科学版）》
2000年第3期29-32,共4页
Journal of Liaocheng Teachers University(Natural Science Edition)
关键词
紧束缚势
碰撞
分子动力学模拟
石墨
碳60
Tight binding potential,Collision,Molecular dynamics simulation
