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Effect of Diameter, Length, and Chirality on the Properties of Silicon Nanotubes
Silicon ( IF 3.4 ) Pub Date : 2021-08-25 , DOI: 10.1007/s12633-021-01332-9
Mohsen Motamedi 1 , Erphan Safdari 1
Affiliation  

The mechanical properties of nanostructures are a researcher’s favorite topics. In the meantime, the mechanical and physical properties of the two dimensional structures and the nanotubes have attracted greater attention due to their wide application. Si (Si) nanotubes are structures consisting of Si atoms that are arranged as honeycombs. This structure has created some special properties in Si nanotubes. In this paper, Young’s modulus values and stress strain diagrams of Si nanotubes are investigated using molecular dynamics method and the Tersoff potential. Then, the changes effect of size and dimension was investigated for a closer look. For this purpose, the effect of nanotube diameter, length, and chirality shift from zigzag to armchair were studied. The results showed that the fracture stress of nanotube decreased with increasing the length of Si nanotube. It was also shown that the armchair structure was stronger than the zigzag. The effect of diameter change on the mechanical properties was also investigated and it was observed that no specific order could be found between the diameter changes with the Si nanotube strength. The results were in good agreement with other studies.



中文翻译:

直径、长度和手性对硅纳米管性能的影响

纳米结构的机械性能是研究人员最喜欢的话题。同时,二维结构和纳米管的机械和物理性能由于其广泛的应用而引起了更多的关注。Si (Si) 纳米管是由排列为蜂窝状的 Si 原子组成的结构。这种结构在硅纳米管中创造了一些特殊的性质。在本文中,使用分子动力学方法和 Tersoff 势研究了 Si 纳米管的杨氏模量值和应力应变图。然后,仔细研究了尺寸和尺寸的变化效果。为此,研究了纳米管直径、长度和从锯齿形到扶手椅的手性转变的影响。结果表明,随着Si纳米管长度的增加,纳米管的断裂应力降低。还表明扶手椅结构比之字形结构更坚固。还研究了直径变化对机械性能的影响,观察到直径变化与 Si 纳米管强度之间没有特定的顺序。结果与其他研究非常吻合。

更新日期:2021-08-26
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