Injection Mechanism of Helium Atom into Wall-defective Carbon Nanotube
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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.Abstract: 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.
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Key words:
- defect /
- single-wall carbon nanotube /
- molecular dynamics /
- injection
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