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Molecular Dynamics Simulations Of Liquid Crystal Anchoring At An Amorphous Polymer Surface

Author

Listed:
  • T. P. DOERR

    (Department of Physics, Case Western Reserve University, 10900 Euclid Ave., Cleveland, OH 44106-7079, USA)

  • P. L. TAYLOR

    (Department of Physics, Case Western Reserve University, 10900 Euclid Ave., Cleveland, OH 44106-7079, USA)

Abstract

Atomistic molecular dynamics simulations have been used, apparently for the first time, to investigate the anchoring behavior of a liquid crystal at the interface with an amorphous polymer. The simulations studied a system consisting of the nematogen 5CB at the surface of amorphous polyethylene, and used the simple Dreiding II force field. The simulations indicate a preference for nonplanar anchoring. Two distinct microscopic paths have been identified by which the liquid crystal changes orientation at the surface. In one case, only one or a few of the 5CB molecules are rotating at any particular time. In the other case, a substantial fraction of the molecules rotate simultaneously.

Suggested Citation

  • T. P. Doerr & P. L. Taylor, 1999. "Molecular Dynamics Simulations Of Liquid Crystal Anchoring At An Amorphous Polymer Surface," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 10(02n03), pages 415-429.
    • Handle: RePEc:wsi:ijmpcx:v:10:y:1999:i:02n03:n:s0129183199000310
    DOI: 10.1142/S0129183199000310
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