The origins of fast segmental dynamics in 2 nm thin confined polymer films

E. Manias, V. Kuppa

Research output: Contribution to journalArticlepeer-review

44 Scopus citations


Molecular-Dynamics computer simulations were used to study 2 nm wide polystyrene films confined in slit pores, defined by inorganic crystalline surfaces. The simulated systems mimic experimentally studied hybrid materials, where polystyrene is intercalated between mica-type, atomically smooth, crystalline layers. A comparison between the experimental findings and the simulation results aims at revealing the molecular origins of the macroscopically observed behavior, and thus provide insight about polymers in severe/nanoscopic confinements, as well as polymers in the immediate vicinity of solid surfaces. Pronounced dynamic inhomogeneities are found across the 2 nm thin film, with fast relaxing moieties located in low local density regions throughout the film. The origins of this behavior are traced to the confinement-induced density inhomogeneities, which are stabilized over extended time scales by the solid surfaces.

Original languageEnglish (US)
Pages (from-to)193-199
Number of pages7
JournalEuropean Physical Journal E
Issue number2
StatePublished - May 2002

All Science Journal Classification (ASJC) codes

  • Biotechnology
  • Biophysics
  • General Chemistry
  • General Materials Science
  • Surfaces and Interfaces


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