The effect of temperature on the compressive buckling of boron nitride nanotubes

Abstract

Abstract Inspired by the stability at high temperature and the high mechanical strength of boron nitride nanotubes (BNNTs), the effect of temperature on the compressive buckling of BNNTs has been investigated in this paper. Molecular dynamics (MD) simulations of BNNTs subjected to high temperatures (up to 3000 K) were performed and their structures were analyzed by studying their optimized structures at different temperatures through the radial distribution function (RDF). Then, the structural stability and compressive resistance properties of these nanotubes were investigated and the critical buckling loads and critical buckling strains of the nanotubes and their susceptibility to high temperatures were determined. The gradual decrease in the sharpness of the peaks of RDF plots of non‐loaded nanotubes implies that at higher temperatures the structure displays greater deviations from that at room temperature. Results of buckling simulations also indicate a general weakening of the nanotubes and lower critical buckling loads and critical buckling strains at increased temperatures. The decrease in the critical buckling load is more significant for the longer nanotube ( L ∼ 6 nm) than the shorter one ( L ∼ 3 nm). The critical buckling strain experienced a drop of about 35–50% at temperatures higher than 1500 K. A transitional behavior was observed between T = 1000 and 2000 K. magnified image Temperature‐dependent axial buckling behavior of boron nitride nanotubes.