내부 유동에 따른 단일 벽 탄소 나노튜브의 굽힘 해석

초록

In this study classical molecular dynamics simulations were used. The forces on the atoms were calculated using combined Lennard-Jones (LJ) and Reactive Empirical Bond-Order (REBO) potential that very with distance. We calculated the mechanical deformatio characteristics of Carbon nanotubes (CNTs) under internal transportation of argon molecules. We simulated a bending motion of vacant CNT using NVT ensemble condition and compared the results of the vacant CNT and internal fluid-flow CNT. We focused the cariation of initial kink-generation angles and energy curves as changing the inflow velocities and temperatures of CNT. The results of numerical simulation carried out in this paper should be used to design the nano-devices for controlling the fluid-flow.