稀有气体原子在纳米碳管中的周期性振荡  

Periodic oscillation of rare-gas atoms in carbon nanotubes

作　　者：金年庆[1] 张海燕[1] 李世影[1] 曾祥华[1] 

机构地区：[1]扬州大学物理科学与技术学院,扬州225002

出　　处：《物理学报》2007年第1期384-388,共5页Acta Physica Sinica

基　　金：江苏省普通高校自然科学研究计划资助的课题~~

摘　　要：采用TLHT势和经典分子动力学方法研究了稀有气体原子进入单壁纳米碳管(SWCNT)的动力学过程,计算得出SWCNT能吸入稀有气体原子(He,Ne,Ar,Kr,Xe)的管径阈值r0分别为6·3,7·0,8·6,8·6,8·6,同时计算了对应的每种稀有气体原子能封装在不同管径的SWCNT中的最大初始动能Ek0.计算给出有趣的结果是封装在纳米碳管中的稀有气体原子在管中不停地作周期性振荡,振荡周期与原子进入管中的能量无关,振幅与原子进入管中的能量有关,即振幅随着入射能量的增加而增加.分析表明:给定合适类型的碳管,具有很小初始动能的稀有气体原子可在碳管中稳定的周期性振荡,其振荡频率可达GHz.Based on the classical molecular dynamics method by using TLHT potential, the dynamical process of rare-gas atoms injected into single-walled carbon nanotube （SWCNT） is discussed. Firstly, the minimal diameters of SWCNT absorbing rare-gas atoms He, Ne, Ar, Kr, Xe are obtained as 6.3A°,7.0A°, 8.6A°,8.6A° and 8.6A°, respectively. Then, the threshold energies to encapsulate the rare-gas atoms in SWCNT of different diameters are calculated. The interesting result is that the encapsulated rare-gas atoms are constantly oscillating in SWCNT, and the oscillation period bears no relation to the injection energy, while the amplitude depends on the injection energy, that is, the amplitude increases with increasing injection energy. The investigation indicates that for a suitable SWCNT, rare-gas atoms with a relative small kinetic energy will oscillate steadily in SWCNT, and the oscillation frequency can reach GHz order.

关 键 词：纳米碳管 稀有气体原子 周期性振荡 分子动力学模拟 

分 类 号：O482[理学—固体物理]