Polymer dynamics in time-dependent periodic potentials
Kauttonen, J., Merikoski, J., & Pulkkinen, O. (2008). Polymer dynamics in time-dependent periodic potentials. Physical Review E, 77 (6), 061131. doi:10.1103/PhysRevE.77.061131
Published inPhysical Review E
© 2008 The American Physical Society. Published in this repository with the kind permission of the publisher.
The dynamics of a discrete polymer in time-dependent external potentials is studied with the master equation approach. We consider both stochastic and deterministic switching mechanisms for the potential states and give the essential equations for computing the stationary-state properties of molecules with internal structure in time-dependent periodic potentials on a lattice. As an example, we consider standard and modified RubinsteinDuke polymers and calculate their mean drift and effective diffusion coefficient in the two-state nonsymmetric flashing potential and symmetric traveling potential. Rich nonlinear behavior of these observables is found. By varying the polymer length, we find current inversions caused by the rebound effect that is only present for molecules with internal structure. These results depend strongly on the polymer type. We also notice increased transport coherence for longer polymers.
PublisherAmerican Physical Society
Publication in research information system
MetadataShow full item record
Showing items with similar title or keywords.
Developments in many-body theory of quantum transport and spectroscopy with non-equilibrium Green's functions and time-dependent density functional theory Uimonen, Anna-Maija (University of Jyväskylä, 2015)The problem of quantum dynamics in open systems has gained attention in recent decades and not the least due to the advances made in quantum transport in molecular systems. The main motivation behind quantum transport ...
Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory Ruggenthaler, Michael; Penz, Markus; van Leeuwen, Robert (Institute of Physics Publishing Ltd.; Institute of Physics, 2015)In this work we review the mapping from densities to potentials in quantum mechanics, which is the basic building block of time-dependent density-functional theory and the Kohn–Sham construction. We first present detailed ...
Time-dependent Landauer—Büttiker formalism for superconducting junctions at arbitrary temperatures Tuovinen, Riku; van Leeuwen, Robert; Perfetto, Enrico; Stefanucci, Gianluca (Institute of Physics Publishing Ltd., 2016)We discuss an extension of our earlier work on the time-dependent Landauer– Büttiker formalism for noninteracting electronic transport. The formalism can without complication be extended to superconducting central regions ...
Uimonen, Anna-Maija (2009)
Cort Barrada, Luis; Karlsson, Daniel; Lani, Giovanna; van Leeuwen, Robert (American Physical Society, 2017)We consider an analytically solvable model of two interacting electrons that allows for the calculation of the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as ...