Molecular Dynamics Simulations of Single-wall GaN Nanotubes

Abstract

We have investigated the structural properties and the thermal behavior of single-wall GaN nanotubes using atomistic simulations based on the Tersoff-type potential. The Tersoff potential for GaN has effectively described the properties of GaN nanotubes. The caloric curves of single-wall GaN nanotubes were divided into three regions corresponding to nanotube, disintegrating range and vapor. Since the stability or the stiffness of the tube decreased with increasing curving strain energy of sheet-to-tube, the disintegration temperatures of GaN nanotubes were closely related to the curving strain energy of sheet-to-tube.

Keywords:

• Single-wall gallium nitride nanotubes
• Atomistic simulations
• Carbon nanotubes
• Tersoff-type potential
• 61.46.+w
• 68.90.+g
• 83.10.Rs