| The authors introduce the semiflexible Rubik cylinder (RC) model, a toy model for investigating and illustrating the self-assembly of fibular-like macromolecules with complex internal structure. The RC model allows to reproduce basic experimental findings for dendronized polymers and serves to motivate another coarse-grained model, the less detailed Janus chain model, which has been recently introduced to capture the dynamics and superstructure formation of dendronized polymers. The RC model is solved by applying off-lattice Monte Carlo using mostly conventional moves, but also some model--adapted ones, which can be of use for other polymeric systems. This includes a so-called phonebook/-move, where parts of chains are regrown by using a memory-saving lookup-table which represents a whole chain conformation for chains of arbitrary length by a single integer, the seed value of the random number generator. Quantities characterizing the RC model will be defined and monitored and set in relation with RC conformations.
for LaTeX users @article{YDing2010-7,
author = {Y. Ding and M. Kr\"oger},
title = {Rubik cylinder model for dendronized polymers},
journal = {J. Comput. Theor. Nanosci.},
volume = {7},
pages = {661-674},
year = {2010}
}
\bibitem{YDing2010-7} Y. Ding, M. Kr\"oger,
Rubik cylinder model for dendronized polymers,
J. Comput. Theor. Nanosci. {\bf 7} (2010) 661-674.YDing2010-7
Y. Ding, M. Kr\"oger
Rubik cylinder model for dendronized polymers
J. Comput. Theor. Nanosci.,7,2010,661-674 |
mk@mat.ethz.ch
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