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Phys. Rev. Lett. 85, 3221–3224 (2000)

Molecular Simulation of Ultrathin Polymeric Films near the Glass Transition

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J. A Torres, P. F. Nealey, and J. J. de Pablo
Department of Chemical Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706

Received 17 November 1999; published in the issue dated 9 October 2000

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.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.85.3221
DOI:
10.1103/PhysRevLett.85.3221
PACS:
64.70.Pf, 66.30.-h, 68.15.+e, 68.60.-p