Abstract: The molecular dynamics simulations are performed to show that in aqueous environments, a short single-walled carbon nanotube (SWCNT) guided by a long SWCNT, either inside or outside the longer tube, is capable of moving along the nanotube axis unidirectionally in an electric field perpendicular to the carbon nanotube (CNT) axis with the linear gradient. The design suggests a new way of molecule transportation or mass delivery. To reveal the mechanism behind this phenomenon, the free energy profiles of the system are calculated by the method of the potential of mean force (PMF).

Key words: helical spring, buckling, equilibrium equation, guided motion, carbon nanotube (CNT), electric field with linear gradient, potential of mean force (PMF)