Molecular dynamics simulation of smectic phases in pentamethyl-disiloxane-terminated mesogens

Molecular dynamics simulations have been used to investigate ensembles of m olecules that show smectic liquid crystal phases. We have shown that there is a high tendency for penta methyldisiloxane-terminated mesogens to form a ssembled dimers, which are then associated into well-defined layers. By app lying tilted 3D-boundary conditions we have been able to simulate the forma tion of a tilted smectic C phase.