Modeling the polymer-nanowire complex

Since we are interested in generic properties of such a system, we model the nanowire as an attractive Une-hke substrate and employ a coarse-grained semiflexible bead-stick model for the polymer consisting of N monomers. The chain is not grafted to this string and may move freely. The total energy of the system includes three contributions. 

The interaction between nonadjacent monomers is governed by the standard Lennard-Jones potential, 

The string charge density r] is conveniently chosen in such a way that the minimum monomer-wire energy is Fstruig(r J. i) = — f, independently of aj. This is satisfied by setting m = tf /2a 0.53(Tfy 

Alternatively, the monomer-string energy can be considered as the limiting case of the interaction of a monomer with a cylinder of radius 0, keeping the overall LJ charge fixed. 

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