We analyze the structural behavior of isolated semiflexible polymers grafted to an impenetrable surface. Employing a parallel multicanonical algorithm, we find a rich phase behavior for both purely entropic and… Click to show full abstract
We analyze the structural behavior of isolated semiflexible polymers grafted to an impenetrable surface. Employing a parallel multicanonical algorithm, we find a rich phase behavior for both purely entropic and attractive surface–polymer interactions. The corresponding conformations range from very compact ones, to folded bundles, to adsorbed and desorbed weakly bent rods. The case of a polymer grafted to a flat, noninteracting surface differs only marginally from the case of a completely free and isolated polymer. Introducing surface attraction, we find that below the adsorption transition temperature stiffer polymers are completely adsorbed and confined to an effectively two-dimensional conformation space. This ultimately holds true over the full range of semiflexibility for increasing surface attraction, in accordance with recent experimental findings.
               
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