Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives
arXiv:cond-mat/0607713 · doi:10.1063/1.2354156
Abstract
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.
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Cited by in corpus (5)
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- Coarse-graining strategy for modeling effective, highly diffusive fluids with reduced polydispersity: A dynamical study