Evaluation of mechanical properties of borophene nanotube by molecular dynamics simulation

Due to ultrathin nanostructure, the highest specific surface area, the exceptional surface to volume ratio, 2-D materials exhibit diverse and dramatically improved properties. These properties are further dependent on their shapes and sizes. Among the 2-D materials, although lots of investigations on graphene have been carried out and are still going on, borophene nanotube has not received much attention so far for the analysis of mechanical properties. The present study focuses on molecular dynamic simulation with Stillinger-Weber potential for borophene nanotube to explore and evaluate its mechanical properties. The mechanical properties, such as yield strength and modulus of elasticity, of borophene nanotube at different strain rate have been evaluated. It is found that the modulus of elasticity decreases with the…