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Proceedings Paper

Molecular dynamics simulation of the liquid crystalline semiconductor: 8-TTP-8
Author(s): Makoto Yoneya; Masahiro Funahashi; Hiroshi Yokoyama
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Paper Abstract

In this study, the structure and dynamics of a liquid crystalline semiconductor dioctylterthiophene system, 8-TTP-8, were examined by molecular dynamics simulations. We especially focus on the melting transition from the crystal to the liquid crystal smectic G phase. Simulations of the rotational autocorrelation functions show that the transition is characterized by the onset of rotation around the long molecular axis, while maintaining a hexagonal packing within the smectic layers. This implies that the stepwise decrease of the carrier mobility at the melting transition point may be caused by this rotational disordering. We also found the molecular diffusions (at a rate of D~0.9x-10m2/s) in the simulated SmG phase. All these characteristics of the simulated SmG phase, including the molecular diffusions, are similar to those of a rotator (plastic crystal) phase.

Paper Details

Date Published: 3 February 2009
PDF: 6 pages
Proc. SPIE 7232, Emerging Liquid Crystal Technologies IV, 72320E (3 February 2009); doi: 10.1117/12.807905
Show Author Affiliations
Makoto Yoneya, Nanotechnology Research Institute, Advanced Industrial Science and Technology (Japan)
Japan Science and Technology Agency (Japan)
Masahiro Funahashi, The Univ. of Tokyo (Japan)
Hiroshi Yokoyama, Nanotechnology Research Institute, Advanced Industrial Science and Technology (Japan)
Japan Science and Technology Agency (Japan)


Published in SPIE Proceedings Vol. 7232:
Emerging Liquid Crystal Technologies IV
Liang-Chy Chien; Ming Hsien Wu, Editor(s)

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