Single-polymer Brownian motor: A simulation study

Abstract

Numerical simulation is used to study a single polymer chain in a flashing ratchet potential to determine how the mechanism of this Brownian motor system is affected by the presence of internal degrees of freedom. The polymer is modeled by a freely jointed chain with N monomers in which the monomers interact via a repulsive Lennard-Jones potential and neighboring monomers on the chain are connected by finite extensible nonlinear elastic bonds. Each monomer is acted upon by a 1D asymmetric, piecewise linear potential of spatial period L comparable to the radius of gyration of the polymer. This potential is also characterized by a localization time, t(on), and by a free diffusion time, t(off). We characterize the average motor velocity as a function of L, t(off), and N to determine optimal parameter ranges, and we evaluate motor performance in terms of finite dispersion, Peclet number, rectification efficiency, stall force, and transportation of a load against a viscous drag. We find that the polymer motor performs qualitatively better than a single particle in a flashing ratchet: with increasing N, the polymer loses velocity much more slowly than expected in the absence of internal degrees of freedom, and the motor stall force increases linearly with N. To understand these cooperative aspects of motor operation, we analyze relevant Rouse modes. The experimental feasibility is analyzed and the parameters of the model are scaled to those of lambda-DNA. Finally, in the context of experimental realization, we present initial modeling results for a 2D flashing ratchet constructed using an electrode array, and find good agreement with the results of 1D simulations although the polymer in the 2D potential sometimes briefly "detaches" from the electrode surface.