J. Stelzer et al., SURFACE-INDUCED ORDER-PARAMETER PROFILES IN A NEMATIC LIQUID-CRYSTAL FROM MOLECULAR-DYNAMICS SIMULATIONS, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 299, 1997, pp. 61-64
The tensor order parameter of a model nematic liquid crystal close to
a rough surface has been analyzed by means of molecular dynamics simul
ations. We show that the rough surface induces a smectic C layering. M
oving towards the bulk, the smectic order disappears and a depression
in the uniaxial orientational order below its bulk value occurs, accom
panied by a considerable biaxiality. Correspondingly, the director ori
entation undergoes a strong distortion localized within a few molecula
r lengths.