锯齿形单壁碳纳米管的穿透能研究

基于分子动力学方法,研究了载能碳离子碰撞锯齿形单壁碳纳米管过程中初级碰撞原子(PKA)的运动过程和能量变化过程.分析了手性指数为(2n+1,0)(n=2~9)的单壁碳纳米管中PKA的穿透能与载能碳离子入射能间的关系.结果表明,穿透能与入射能之间呈线性增长关系,线性变化的斜率与碳纳米管直径有关.通过分析PKA势能随模拟时间的变化规律,阐述了初级碰撞原子的穿透能随入射能的增加而增加的物理机制.

Study on the Penetrating Energy of Zigzag Single-walled Carbon Nanotubes

The movement process and energy change of the primary knock-on atom were investigated after an energetic carbon ion colliding with single-walled carbon nanotubes via a molecular dynamics method. The rela-tionship between the penetrating energy of the primary knock-on atom and the incident energy of the projectile carbon ion was analyzed for (2n+1,0)(n=2—9) zigzag single-walled carbon nanotubes. It was found that the penetrating energy increases linearly with the incident energy in the energy range under discussion. The linear slop was related to the nanotube diameter. The physical mechanism of linear increase was explained in detail by analyzing the time evolution of the potential energy of primary knock-on atom.