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Abstract

The recognition of a hexagonal substrate pattern by a coarse-grained flexible homopolymerduring the surface adsorption process is investigated using parallel tempering (replicaexchange)Monte Carlo simulations. The strength of the interaction between a graftedhomopolymer chain and a honeycomb surface, which is based on a standard Lennard-Jonespotential, is changed systematically to study different hexagonally patterned substrate materialsand miscellaneous implicit solvents. Introducing specific order parameters, 16 structuralphases are identified at different surface adsorption strengths and temperatures and are classifiedinto expanded, globular, droplet, semi-spherical and compact phases. Properties ofstructural phase transitions and representative polymer conformations are discussed to constructa complete structural hyperphase diagram for a polymer with 55 monomers. Finally,a detailed analysis of structural properties in the regime of solid-like conformations leadsto the identification of different pattern recognition strategies due to conflicting orderingeffects, induced by intramolecular and monomer-substrate interactions.

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