In this paper, quantum and molecular mechanics are used to study the quantum effects of fine scaling on the buckling strength of multi-walled carbon nanotubes (MWCNTs), as well as the effects of changes in length, diameter, chirality, wall number and length-to-diameter ratio of the structure under torsional loading. To this end, the total potential energy of the system is calculated with the consideration of both bond stretching and bond angular variations. The density functional theory (DFT) along with the generalized gradient approximation (GGA) function is used to obtain the relevant elastic constants of the nanotubes. The study shows that the quantum effects of fine scaling cause more buckling strength of the structure against external torsional loadings. Also, with any longitudinal change as well as the changes in the structural arrangement that reduce the quantum effects of fine scaling, the strength of the structure decreases sharply.

本文使用量子和分子力学研究精细尺度对多壁碳纳米管（MWCNTs）的屈曲强度的量子效应，以及长度，直径，手性，壁数和长度的变化的影响。扭转载荷下结构的直径比。为此，系统的总势能是在考虑键拉伸和键角度变化的情况下计算的。密度泛函理论（DFT）与广义梯度逼近（GGA）函数一起用于获得纳米管的相关弹性常数。研究表明，精细缩放的量子效应会导致结构抵抗外部扭转载荷的屈曲强度更高。也，