Mirnezhad M, Ansari R, Falahatgar S R, Aghdasi P
Faculty of Mechanical Engineering, University Campus 2, University of Guilan, Rasht, Iran.
Faculty of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran.
Sci Rep. 2024 Mar 28;14(1):7435. doi: 10.1038/s41598-024-55701-6.
In this paper, the quantum effects of fine scaling on the buckling behavior of carbon nanotubes (CNTs) under axial loading are investigated. Molecular mechanics and quantum mechanics are respectively utilized to study the buckling behavior and to obtain the molecular mechanics coefficients of fine-scale nanotubes. The results of buckling behavior of CNTs with different chiralities with finite and infinite dimensions are given, and a comparison study is presented on them. The differences between finite and infinite nanotubes reflect the quantum effects of fine scaling on the buckling behavior. In addition, the results show that the dimensional changes highly affect the mechanical properties and the buckling behavior of CNTs to certain dimensions. Moreover, dimensional changes have a significant effect on the critical buckling strain. Beside, in addition to the structure dimensions, the arrangement of structural and boundary atoms have a major influence on the buckling behavior.
本文研究了精细尺度下量子效应在轴向载荷作用下对碳纳米管（CNT）屈曲行为的影响。分别利用分子力学和量子力学来研究屈曲行为并获得精细尺度纳米管的分子力学系数。给出了具有不同手性的有限维和无限维碳纳米管的屈曲行为结果，并对其进行了对比研究。有限和无限纳米管之间的差异反映了精细尺度对屈曲行为的量子效应。此外，结果表明尺寸变化在一定尺寸范围内对碳纳米管的力学性能和屈曲行为有很大影响。而且，尺寸变化对临界屈曲应变有显著影响。此外，除了结构尺寸外，结构原子和边界原子的排列对屈曲行为也有重大影响。
