ABSTRACT In this paper, a nanoscale rotary system, composed of graphene substrate and triple-walled nanotube driven by defect effect, is proposed. Its rotational properties, as well as the influence of temperature, defect location and chiral combination of carbon nanotube, are systematically investigated using molecular dynamic simulations. It is found that the rotation of the nanotubes is driven by the defects placed on the graphene with a stable rotation frequency, and that the source of energy for the rotary system is originated from the unbalanced atomic vibration on graphene near carbon nanotubes. The results show that the system temperature, the location of the defect and the chiral pair of the carbon nanotubes have effects on the rotor rotation frequency. Based on the analysis of molecular dynamic simulation results, the mechanism of this rotation is studied. The application of nano-rotation system, composed of graphene and triple-walled carbon nanotubes in nanomachines, is prospected.

中文翻译：

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基于三壁碳纳米管和石墨烯的缺陷驱动旋转系统的分子动力学模拟

摘要 在本文中，提出了一种由石墨烯衬底和缺陷效应驱动的三壁纳米管组成的纳米级旋转系统。使用分子动力学模拟系统地研究了其旋转特性，以及温度、缺陷位置和碳纳米管手性组合的影响。发现纳米管的旋转是由石墨烯上的缺陷以稳定的旋转频率驱动的，旋转系统的能量来源来自碳纳米管附近石墨烯上的不平衡原子振动。结果表明，系统温度、缺陷位置和碳纳米管的手性对对转子旋转频率有影响。根据分子动力学模拟结果分析，研究了这种旋转的机制。展望了由石墨烯和三壁碳纳米管组成的纳米旋转系统在纳米机械中的应用。