Effect of temperature on tensile and vibration properties of bilayer boron nitride

Abstract

Hexagonal boron nitride (h-BN) is a semiconductor material with a wide band gap, holding promising potential for applications in thermal conductivity devices and nanoresonators in the field of microelectronics. Here, molecular dynamics is simulated to investigate the tensile and vibrational behaviors of bilayer h-BN under five different stacking modes across varying temperatures. The mechanical properties of five different stacking modes of h-BN at various temperatures are focused on, including Young's modulus, the ultimate stress, and the ultimate strain. Results indicate that bilayer h-BN nanosheets exhibit anisotropic characteristics, with their tensile properties decreasing as temperature increases. Additionally, we explore the influence of temperature on the natural frequency of bilayer h-BN under five different stacking modes. These results establish a fundamental understanding of the mechanical and vibrational characteristics of bilayer h-BN nanosheets under different stacking modes, contributing to their potential applications in advanced nanodevices operating in extremely high-temperature environments.