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Influence of confinement on the vibrational density of states and the Boson peak in a polymer glass

J. Chem. Phys. 120, 9371 (2004); doi:10.1063/1.1689952

Issue Date: 15 May 2004

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Tushar S. Jain and Juan J. de Pablo
University of Wisconsin-Madison, Department of Chemical and Biological Engineering, Madison, Wisconsin 53706
We have performed a normal-mode analysis on a glass forming polymer system for bulk and free-standing film geometries prepared under identical conditions. It is found that for free-standing film glasses, the normal-mode spectrum exhibits significant differences from the bulk glass with the appearance of an additional low-frequency peak and a higher intensity at the Boson peak frequency. A detailed eigenvector analysis shows that the low-frequency peak corresponds to a shear-horizontal mode which is predicted by continuum theory. The peak at higher frequency (Boson peak) corresponds to motions that are correlated over a length scale of approximately twice the interaction site diameter. These observations shed some light on the microscopic dynamics of glass formers, and help explain decreasing fragility that arises with decreasing thickness in thin films. ©2004 American Institute of Physics.
History: Received 12 December 2003; accepted 3 February 2004
Permalink: http://link.aip.org/link/?JCPSA6/120/9371/1
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KEYWORDS and PACS

Keywords
PACS
  • 63.50.+x
    Vibrational states in disordered systems
  • 61.41.+e
    Structure of polymers, elastomers, and plastics
  • 64.70.Pf
    Glass transitions
  • 68.55.Jk
    Thin film structure and morphology; thickness; crystalline orientation and texture
  • 02.10.Ud
    Linear algebra
  • YEAR: 2004

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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