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Computer Studies on free and Confined Amorphous Polymer Films

Published online by Cambridge University Press:  10 February 2011

G. Pätzold ,
D.W. Heermann ,
A. Linke  and
T. Hapke
G. Pätzold
Affiliation:
Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 19, 69120 Heidelberg, Deutschland, und Interdisziplinäres Zentrum für wissenschaftliches Rechnen der Universität Heidelberg, E-mail:, heermann@tphys.uni-heidelberg.de, URL: http://wwwcp.tphys.uni-heidelberg.de/
D.W. Heermann
Affiliation:
Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 19, 69120 Heidelberg, Deutschland, und Interdisziplinäres Zentrum für wissenschaftliches Rechnen der Universität Heidelberg, E-mail:, heermann@tphys.uni-heidelberg.de, URL: http://wwwcp.tphys.uni-heidelberg.de/
A. Linke
Affiliation:
Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 19, 69120 Heidelberg, Deutschland, und Interdisziplinäres Zentrum für wissenschaftliches Rechnen der Universität Heidelberg, E-mail:, heermann@tphys.uni-heidelberg.de, URL: http://wwwcp.tphys.uni-heidelberg.de/
T. Hapke
Affiliation:
Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 19, 69120 Heidelberg, Deutschland, und Interdisziplinäres Zentrum für wissenschaftliches Rechnen der Universität Heidelberg, E-mail:, heermann@tphys.uni-heidelberg.de, URL: http://wwwcp.tphys.uni-heidelberg.de/
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Abstract

We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. Free surfaces are stabilized solely by van-der-Waals interactions, whereas confined surfaces emerge in the presence of repelling plates. The buildup of density and pressure profiles from zero to their bulk values depends on the surface preparation method. In the case of confined surfaces, we find density and pressure oscillations next to the repelling plates. For free surfaces, we attest chain-end enrichment and present a comparison between density profile and particle coordination number.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 464: Symposium FF – Dynamics in Small Confining Systems III , 1996 , 3
Copyright
Copyright © Materials Research Society 1997

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References

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