Atomic-detail simulation studies of smectic liquid crystals
We report on large-scale simulation studies of realistic (atomic-detail) models for smectic liquid crystals. Preliminary results obtained for the smectic A phase of TBBA are described in detail. Although significant obstacles must be overcome before atomic-detail simulations can yield reliable quantitative predictions of liquid crystalline properties, our results demonstrate that such simulations can provide valuable insight into the molecular basis of liquid crystalline behavior.
Glaser, M. A, Malzbender, R, Clark, N. A, & Walba, D. M. (1995). Atomic-detail simulation studies of smectic liquid crystals. Mol. Simul., 14, 343–360.