摘要
采用经典分子动力学方法和TLHT势模型,研究了He注入不同管壁缺陷的单壁纳米碳管(SWNCT)的动力学过程,发现对应不同入射能量,He有4种典型的运动模式。管壁缺陷的尺寸对He在SWNCT中的吸附存储行为有很大影响。
Based on the classical molecular processes of He atom into SWCNT with wall dynamics method and TLHT potential model, the injection defects of different radius are studied. The calculated results indicate that there are four typical moving patterns of He atom with different injective energy and the size of wall defects make a great difference to the absorption and storage behavior of He into SWNT.
出处
《原子核物理评论》
CAS
CSCD
北大核心
2005年第4期419-421,428,共4页
Nuclear Physics Review
基金
江苏省教育厅基金资助项目(03KJB140152)~~
关键词
缺陷
单壁纳米碳管
分子动力学
注入
defect
single-wall carbon nanotube
molecular dynamics
injection
