Computer simulation of chiral liquid crystal phases determination of the self-diffusion coefficient tensor of cholesteric liquid crystals

摘要

The self-diffusion coefficient tensor of chiral liquid crystals was investigated by molecular dynamics (MD) simulations in the NVE ensemble. The bulk systems were composed of uniaxial chiral molecules with interactions described by the Gay-Berne potential and an additive term for the energy of chiral interaction. A cholesteric phase (N~*) and a blue phase (BP II) were observed along an isotherm in dependence on the chirality parameter.