Study of Uniaxial Tensile Properties of Hexagonal Boron Nitride Nanoribbons

TL;DR

This study investigates the uniaxial tensile properties of hexagonal boron nitride nanoribbons using molecular dynamics simulations, revealing how temperature, strain rate, and vacancy defects influence their strength and deformation behavior.

Contribution

It provides new insights into how temperature, strain rate, and vacancy defects affect the tensile properties of h-BN nanoribbons, which was not comprehensively studied before.

Findings

Ultimate tensile strength of 100.5 GPa for pristine nanoribbons.

Tensile strength decreases with increasing temperature.

Vacancy defects, especially bi-vacancies, significantly reduce tensile strength.

Abstract

Uniaxial tensile properties of hexagonal boron nitride nanoribbons and dependence of these properties on temperature, strain rate, and the inclusion of vacancy defects have been explored with molecular dynamics simulations using Tersoff potential. The ultimate tensile strength of pristine hexagonal boron nitride nanoribbon of 26 nm x 5 nm with armchair chirality is found to be 100.5 GPa. The ultimate tensile strength and strain have been found decreasing with increasing the temperature while an opposite trend has been observed for increasing the strain rate. Furthermore, the vacancy defects reduce ultimate tensile strength and strain where the effect of bi-vacancy is clearly dominating over point vacancy.