Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives.
Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations between the molecular structure, packing, and dynamical properties of these materials are established.
Andrienko
Denis
D
Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany.
Marcon
Valentina
V
Kremer
Kurt
K