Numerical Simulation Study on the Elastic Behaviour of Single-Walled Boron–Group 15 Nanotubes: A Comparative Assessment
Nataliya A. Sakharova, Eduardo B. Matos, André F. G. Pereira, José V. Fernandes, Jorge M. AntunesNon-carbon nanotubes are attractive nanostructures with potential applications in advanced electronic and high-temperature devices. Among boron–group 15 nanotubes, boron nitride nanotubes (BNNTs) have been extensively investigated, whereas the mechanical behaviour of boron phosphide (BPNTs), boron arsenide (BAsNTs) and boron antimonide (BSbNTs) nanotubes remains considerably less explored, particularly for the latter two compounds. A systematic comparative investigation of linear elastic behaviour was carried out for single-walled BNNTs, BPNTs, BAsNTs and BSbNTs over a wide range of diameters using the nanoscale continuum modelling/molecular structural mechanics (NCM/MSM) approach. Tensile, bending and torsional rigidities, surface Young’s and shear moduli, and Poisson’s ratio were assessed, and analytical expressions for their evaluation were proposed. The results were discussed in terms of nanotube diameter, chirality and equilibrium bond length, with particular attention to the influence of the group 15 atoms. Comparisons with available literature data and the previously investigated group 13–nitride nanotube family were used to identify common and distinct trends Within the adopted modelling framework, the results provide a consistent description of elastic behaviour across the entire boron–group 15 nanotube family and reveal comparative trends that can guide further theoretical and computational studies.