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On the relationship between the local segmental dynamics and the tagged monomer dynamics in lamellar phases of diblock copolymers.

Vaidyanathan SethuramanVenkat Ganesan
Published in: The Journal of chemical physics (2018)
In this brief article, we present results from coarse-grained molecular dynamics simulations which probed the relationship between the local segmental dynamics and the tagged monomer dynamics in lamellar phases of diblock copolymers. Our results demonstrate that monomer relaxation times do not provide directly a quantitatively accurate measure of the spatial variations in segmental dynamics. However, a convolution of the monomer density distributions with their corresponding relaxation times is shown to provide an approximate, but accurate, quantitative characterization of the average local segmental dynamics.
Keyphrases
  • molecular dynamics simulations
  • high resolution
  • molecularly imprinted
  • molecular dynamics
  • molecular docking
  • single molecule