General mechanism for inchworm nanoscale track walkers: analytical theory and realistic simulation

Nanomotors capable of directed transportation along an unlimited linear track are being vigorously pursued both theoretically and experimentally. This study generalizes a previously proposed mechanism for nanoscale track walkers by explicitly treating key molecular details of the walker-track systems. An energy-diagram analysis identifies pathways of energy flow through the walker's movement cycle, and thereby enables us to develop an analytical theory for the track-walking mechanism. Realistic simulations of the walker's movement cycles are also conducted. The results show that the walker's directionality, run length, and speed depend critically on several key dimensional parameters of the walker-track systems. Most notably, the walker's performance as a function of the binding site interval of the track exhibits an oscillating pattern, which is accurately reproduced by the analytical theory. The wealth of nanocontrol mechanisms identified in the proposed track-walker systems not only provides a framework for optimizing performance of the walker, but also clarifies major requirements for future experimental implementation.