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Non-Markovian Methods in Glass Transition.

Constantino Torregrosa CabanillesJosé Molina-MateoRoser Sabater I SerraJosé María Meseguer-DueñasJosé Luis Gómez Ribelles
Published in: Polymers (2020)
A model for the heterogeneity of local dynamics in polymer and other glass-forming materials is provided here. The fundamental characteristics of the glass transition phenomenology emerge when simulating a condensed matter open cluster that has a strong interaction with its heterogeneous environment. General glass transition features, such as non-exponential structural relaxations, the slowing down of relaxation times with temperature and specific off-equilibrium glassy dynamics can be reproduced by non-Markovian dynamics simulations with the minimum computer resources. Non-Markovian models are shown to be useful tools for obtaining insights into the complex dynamics involved in the glass transition phenomenon, including whether or not there is a need for a growing correlation length or the relationship between the non-exponentiality of structural relaxations and dynamic heterogeneity.
Keyphrases
  • single cell
  • molecular dynamics
  • molecular dynamics simulations
  • walled carbon nanotubes