Analysis of the Dynamics in Linear Chain Models by means of Generalized Langevin Equations

Abstract

We analyse the motion of one particle in a polymer chain. For this purpose, we use the framework of the exact (non-stationary) generalized Langevin equation that can be derived from first principles via the projection-operator method. Our focus lies on determining memory kernels from either exact expressions for autocorrelation functions or from simulation data. We increase the complexity of the underlying system starting out from one-dimensional harmonic chains and ending with a polymer driven through a polymer melt. Here, the displacement or the velocity of an individual particle in the chain serves as the observable. The central result is that the time-window in which the memory kernels show structure before they rapidly decay decreases with increasing complexity of the system.