Molecular Simulation of Ultrathin Polymeric Films near the Glass Transition

J. A Torres, P. F. Nealey, and J. J. de Pablo
Phys. Rev. Lett. 85, 3221 – Published 9 October 2000
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Abstract

Properties such as the glass transition temperature ( Tg) and the diffusion coefficient of ultrathin polymeric films are shown to depend on the dimensions of the system. In this work, a hard-sphere molecular dynamics methodology has been applied to simulate such systems. We investigate the influence that substrates have on the behavior of thin polymer films; we report evidence suggesting that, depending on the strength of substrate-polymer interactions, the glass transition temperature for a thin film can be significantly lower or higher than that of the bulk.

  • Received 17 November 1999

DOI:https://doi.org/10.1103/PhysRevLett.85.3221

©2000 American Physical Society

Authors & Affiliations

J. A Torres, P. F. Nealey, and J. J. de Pablo

  • Department of Chemical Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706

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Issue

Vol. 85, Iss. 15 — 9 October 2000

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