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dc.contributor.authorLiewehr, Benjamin
dc.description.abstractThe recognition of a hexagonal substrate pattern by a coarse-grained flexible homopolymer during the surface adsorption process is investigated using parallel tempering (replicaexchange) Monte Carlo simulations. The strength of the interaction between a grafted homopolymer chain and a honeycomb surface, which is based on a standard Lennard-Jones potential, is changed systematically to study different hexagonally patterned substrate materials and miscellaneous implicit solvents. Introducing specific order parameters, 16 structural phases are identified at different surface adsorption strengths and temperatures and are classified into expanded, globular, droplet, semi-spherical and compact phases. Properties of structural phase transitions and representative polymer conformations are discussed to construct a complete structural hyperphase diagram for a polymer with 55 monomers. Finally, a detailed analysis of structural properties in the regime of solid-like conformations leads to the identification of different pattern recognition strategies due to conflicting ordering effects, induced by intramolecular and monomer-substrate interactions.
dc.subjectPattern recognition
dc.subjectpolymer adsorption
dc.subjectpolymer grafting
dc.subjectstructural phase transition
dc.subjecthyperphase diagram
dc.subjecthexagonal surface
dc.subjecthoneycomb lattice
dc.subjectsurface enhancement
dc.subjectpolymer coatings
dc.titleHomopolymer adsorption and pattern recognition on hexagonal surfaces
dc.title.alternativea replica-exchange Monte Carlo study
dc.description.departmentPhysics and Astronomy
dc.description.advisorMichael Bachmann
dc.description.committeeMichael Bachmann
dc.description.committeeSteven P. Lewis
dc.description.committeeDavid P. Landau

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