Heterogeneous dynamics in linear polymer melts near glass transition temperature

Abstract

Equilibrium molecular dynamics simulations of a model linear polymer melt is carried out near its glass transition temperature Tc . We have elucidated the role played by intra and inter chain monomers in formation of secondary structures using radial distribution functions on reduction of temperature towards Tc . Our studies on dynamics using intermediate scattering function Fs (k,t) shows step like relaxation, which is a signature of heterogeneous dynamics of the glassy domains that is widely known in earlier studies of glass transition. Further studies of heterogeneity in the dynamics using four-point correlation function x4s (t) shows the growth of correlated region in this system as temperature is reduced towards Tc .