MOLECULAR DYNAMICS SIMULATIONS OF LIQUID CRYSTAL ANCHORING AT AN AMORPHOUS POLYMER SURFACE
1999 ◽
Vol 10
(02n03)
◽
pp. 415-429
◽
Keyword(s):
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.
2015 ◽
Keyword(s):
Theoretical Study of Alkylsulfonic Acids: Force-Field Development and Molecular Dynamics Simulations
2018 ◽
Vol 122
(42)
◽
pp. 9747-9756
2004 ◽
Vol 120
(15)
◽
pp. 7059-7066
◽
Keyword(s):