Analyze the temperature-dependent elastic properties of single-walled boron nitride nanotubes by a modified energy method

Abstract

The elastic properties of boron nitride nanotubes (BNNTs) were investigated utilizing an enhanced energy method. By considering small deformations and applying the principle of minimum potential energy, the variations in atomic bonds and bond angles within the nanotube structure were determined. The modified model incorporated the contribution of inversion energy to the overall potential energy of the system, leading to the derivation of analytical expressions for the Young's modulus, shear modulus, and strain energy of both armchair and zigzag BNNTs under varying temperatures. The results indicate that compared to zigzag BNNTs, the impact of inversion energy on the elastic constants of armchair BNNTs is more significant, especially at small diameters (<1 nm). In thermal environment, this study demonstrates that the change in Young's modulus of BNNTs is lower than that of carbon nanotubes (CNTs), confirming the superior thermal stability of BNNTs over CNTs. Furthermore, molecular structure mechanics (MSM) and continuum mechanics models were employed to analyze the strain energy of BNNTs. The effects of different bonds, bond angles, and inversion angles on strain energy were analyzed in a thermal environment, revealing distinct differences between the two types of BNNTs. These findings provide more accurate theoretical guidance for thermal applications based on the stretching of BNNTs.