Dynamics of chemically powered nanodimer motors subject to an external force

The chemically powered self-propelled directed motions of nanodimer motors confined in a rectangular channel and subject to an applied external conservative force are investigated using hybrid molecular dynamics/multiparticle collision dynamics. The influence of factors, such as dimer sizes, chemical reaction type, and the nature of the interaction potentials between dimer monomers and solvent molecules, on the propulsion force and friction constant are examined. The stall force, for which the nanodimer has zero net velocity, and the thermodynamic efficiency of the motor are calculated. Both irreversible and reversible chemical reactions are considered. The simulation results are compared to theoretical predictions which are able to capture the major features of the self-propelled motion. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3174929]