Rouse Mode Analysis of Chain Relaxation in Homopolymer Melts.

摘要: We use molecular dynamics simulations of the Kremer–Grest (KG) bead–spring model polymer chains length between 10 and 500, a closely related analogue that allows for chain crossing, to clearly delineate effects entanglements on length-scale-dependent relaxation in melts. analyze resulting trajectories using Rouse modes find strongly affect these modes. The rates show two limiting effective monomeric frictions, with local experiencing much lower friction than longer vary approximately inversely due kinetic confinement effects. time-dependent has stretched exponential character minimum stretching exponent vicinity entanglement length. None trends are found models allow crossing. These facts, combination, argue for...