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dc.contributor.authorGross, Jonathan
dc.date.accessioned2014-03-04T21:12:34Z
dc.date.available2014-03-04T21:12:34Z
dc.date.issued2013-08
dc.identifier.othergross_jonathan_201308_phd
dc.identifier.urihttp://purl.galileo.usg.edu/uga_etd/gross_jonathan_201308_phd
dc.identifier.urihttp://hdl.handle.net/10724/29054
dc.description.abstractIn this computational study the focus is put on the thermodynamic behavior of coarse- grained models for flexible polymers. Structural transitions of polymer conformations as a function of monomer-monomer interaction range, as well as adsorption at curved surfaces of cylinders of different materials are unraveled. This is accomplished by utilizing the latest available technologies, such as high-end graphics processing units, and advanced general- ensemble Monte Carlo methods. A pseudophase diagram of a free 90-mer is constructed using a microcanonical analysis approach, to demonstrate the effect of interaction range changes to the liquid and solid structural phases. Various adsorbed polymer structures are determined for different types of cylindrical substrates. Complete pseudophase diagrams of a 30-mer adsorbed at 5 different materials are constructed.
dc.languageeng
dc.publisheruga
dc.rightspublic
dc.subjectMonte Carlo Simulations
dc.subjectParallel Tempering
dc.subjectFlexible Polymers
dc.subjectStructural Phase Transitions
dc.subjectPolymer Adsorption
dc.subjectHomopolymer
dc.subjectNanocylinders
dc.titleParallel Monte Carlo simulations of coarse-grained flexible polymers to obtain structural phase diagrams
dc.typeDissertation
dc.description.degreePhD
dc.description.departmentPhysics and Astronomy
dc.description.majorPhysics
dc.description.advisorMichael Bachmann
dc.description.committeeMichael Bachmann
dc.description.committeeShan-Ho Tsai
dc.description.committeeSteven P. Lewis
dc.description.committeeDavid P. Landau


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