Bending Behavior of a Carbon Nanotube with Internal Fluid Flow

Abstract

Simulations of molecular dynamics (MD) were performed to investigate the bending behavior of a carbon nanotube without and with fluid (argon atoms) inside. The unique deformed shapes and energy variations were observed for interactions between internal argon atoms and a carbon nanotube with various argon atom velocities and system temperatures. The mechanical properties of the nanotube were observed using the fluid structure interaction (FSI) methods for analyzing forces between a nanotube's solid wall and the internal fluid. Simulation results showed that the kinks obstructed the internal flow. On the other hand, it was confirmed that the generation of double kinks and the energy curve depend on the bending shape.