MOLECULAR DYNAMICS SIMULATIONS OF LIQUID CRYSTAL ANCHORING AT AN AMORPHOUS POLYMER SURFACE

T. P. Doerr and P. L. Taylor ()
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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

International Journal of Modern Physics C (IJMPC), 1999, vol. 10, issue 02n03, 415-429

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.

Keywords: Anchoring; Liquid crystal; Simulation; Molecular dynamics; 5CB; Nematic; Surface effects (search for similar items in EconPapers)
Date: 1999
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DOI: 10.1142/S0129183199000310

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