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Simple flexible polymers in a spherical cage

Keywords: Monte Carlo simulation , bead-stick polymer , collapse transition , freezing transitions , confinement

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Abstract:

We report the results of Monte Carlo simulations investigating the effect of a spherical confinement within a simple model for a flexible homopolymer. We use the parallel tempering method combined with multi-histogram reweighting analysis and multicanonical simulations to investigate thermodynamical observables over a broad range of temperatures, which enables us to describe the behavior of the polymer and to locate the freezing and collapse transitions. We find a strong effect of the spherical confinement on the location of the collapse transition, whereas the freezing transition is hardly effected.

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