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dc.contributor.authorQi, Kai
dc.date.accessioned2016-11-23T05:30:24Z
dc.date.available2016-11-23T05:30:24Z
dc.date.issued2016-05
dc.identifier.otherqi_kai_201605_phd
dc.identifier.urihttp://purl.galileo.usg.edu/uga_etd/qi_kai_201605_phd
dc.identifier.urihttp://hdl.handle.net/10724/36310
dc.description.abstractThe increased interest in understanding the thermodynamic activity in finite systems such as nanotechnological and biological systems has initiated numerous studies in interdisciplinary research. The properties and functions of these systems are inevitably connected to their geometric structures. However, due to finite-size and surface effects, conventional canonical statistical analysis fails to locate unique structural transition points for such systems. By considering integrated autocorrelation times of energetic and structural quantities, generalizing microcanonical inflection-point analysis, and introducing conformational analysis methods, we aim at developing more systematic and general approaches to the study of systems of finite size. To elucidate the power of these methods, we investigate coarse-grained lattice and off-lattice homopolymers by means of Monte Carlo importance sampling methods such as Metropolis, parallel tempering, and a parallel version of multicanonical sampling.
dc.languageeng
dc.publisheruga
dc.rightspublic
dc.subjectCanonical Analysis
dc.subjectAutocorrelation Time
dc.subjectMicrocanonical Inflection-Point Analysis
dc.subjectMonte Carlo Simulations
dc.subjectMetropolis
dc.subjectParallel Tempering
dc.subjectMulticanonical Sampling
dc.subjectFlexible Polymer
dc.subjectLattice Polymer
dc.subjectStructural Transitions
dc.subjectFinite Systems
dc.subjectFinite-Size Effects
dc.titleStatistical and conformational analysis of structural transitions in finite systems
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.committeeHeinz-Bernd Schuttler
dc.description.committeeDavid P. Landau


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