I.K. Pour, D.J. Krajnovich, et al.
SPIE Optical Materials for High Average Power Lasers 1992
Self-assembly of a nanotube forming molecule, hexa-peri-hexabenzocoronene (hbc), in aqueous solution is studied using a coarse-grain (CG) force-field in molecular dynamics (MD) simulations. The simulations yield details of the pre-aggregation regime, which is generally inaccessible to experimental studies. The simulations also provide insights into the self-assembly mechanism, revealing how the aggregates formed in the initial stages of self-assembly grow in size to form a columnar structure. At later stages self-organization results in the formation of a twisted ribbon-like structure that remains stable for the duration of the simulation. This twisted ribbon-like structure is probably an intermediate in the formation of a nanotubular object. © 2007 IOP Publishing Ltd.
I.K. Pour, D.J. Krajnovich, et al.
SPIE Optical Materials for High Average Power Lasers 1992
Frank R. Libsch, Takatoshi Tsujimura
Active Matrix Liquid Crystal Displays Technology and Applications 1997
J.R. Thompson, Yang Ren Sun, et al.
Physica A: Statistical Mechanics and its Applications
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JES