C60分子与石墨(0001)、硅(111)面的碰撞

用分子动力学模拟的方法和Tersoff多体势函数对以一定能量入射的C 60在石墨(0001)表面以及硅(111)表面碰撞的过程进行模拟研究.结果发现:碰撞过程是高度非弹性的,在弹回过程中,C60分子质心的运动可被看作是在准谐势下的运动 .C60以240 eV初始能量入射到石墨表面时,C60分子有严重的扭曲,最终将平铺在石墨表面形成薄膜;C60分子以30 eV初始动能入射到石墨表面时,将保持完好球形沉积在石墨表面;C60分子以60 eV的初始动能碰撞硅(111)表面时,C60分子最终沉积在硅表面,碰撞过程中C60分子有形变.

The collisions of C60 with the surface of the graphite (0001) and silicon (111)

By using the molecular dynamics simulation technique with an analytic many-body potential function, the collisions between C_(60) molecular and the graphite (0001) surface and the collisions between C_(60) and a silicon (111) surface have been studied. The obtained results in this study show us that the process is almost inelastic and during the rebounding process, the molecular center-of-mass can be regarded as moving in a quadratic harmonic potential. At the collision energy of 240 eV, C_(60) molecular is heavily distorted and finally forms the thin film on the surface of the graphite surface; at the impact energy of 30 eV, C_(60) will deposit on the surface of the graphite and keep the sphere-like shape. The collision of C_(60) with the silicon (111) surface at 60 eV will deposit on the surface and produce large deformation.