Quantifying chain reptation in entangled polymer melts:topological and dynamical mapping of atomistic simulation results onto the tube model


Chunggi Baig;Pavlos S.Stephanou;Vlasis G.Mavrantzas;


<正>We present a systematic methodology which allows one to calculate the segment-survival probability functionψ(s,t) of the tube model,directly from trajectories accumulated in the course of long molecular dynamics simulations.The computedψ(s,t) curves account directly for reptation,contour length fluctuations(CLFs),


CR;Quantifying chain reptation in entangled polymer melts;


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