3C10 Searching for nano-structures of liquid crystalline cubic phase

Abstract

Nano-structures of a thermotropic cubic phase forming liquid crystal molecule, 1, 2-bis- [4-n-octyloxy- benzoyl] -hydrazine (BABH8) were studied by molecular dynamics (MD) simulations. A model for its cubic phase structures was proposed which is constructed from the building unit of a locally orientational ordered "bundle" in consistent with the cell parameter and the space group (Ia3^^-d) from the recent X-ray results. Stability of the model structure was studied by multi-nanosecond MD simulations.