Buckling of multi-walled silicon carbide nanotubes under axial compression via a molecular mechanics model

Abstract

This paper is concerned with the axial buckling behavior of multi-walled silicon carbide nanotubes (MWSiCNTs) based upon a molecular mechanics model. To this end, the mechanical properties of silicon carbide sheets are obtained according to the density functional theory within the framework of the generalized gradient approximation. Through establishing a linkage between the quantum mechanics and the molecular mechanics, the force constants of the total potential energy are obtained theoretically. A closed-form expression is proposed from which by knowing the chirality of the MWSiCNT, its critical buckling strain can be calculated as quickly and accurately as possible. The effects of chirality and number of walls on the critical buckling strain of MWSiCNTs are carefully investigated. It is concluded that with increasing the number of walls of nanotubes, their stability decreases. The effects of diameter and number of walls on the critical buckling strain of MWSiCNTs under axial load get more pronounced at lower diameters. Besides, it is found that the minimum critical buckling strain is related to nanotubes with (Formula presented.) chiral vectors. © 2014, Springer-Verlag Berlin Heidelberg.