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Globule transitions of a single homopolymer: a Wang-Landau Monte Carlo study

Parsons, Drew; Williams, David


The temperature-independent Wang-Landau Monte Carlo approach is implemented for an off-lattice model of flexible homopolymers and applied to the coil-globule and solidification transitions based on chain sizes up to N=300. An intermediate transformation from low-density liquid globule to high-density liquid globule is suggested. A scheme for identifying polymer structures representative of particular temperatures in the course of the simulation is presented and applied to illustrate...[Show more]

CollectionsANU Research Publications
Date published: 2006-10-06
Type: Journal article
Source: Physical Review E-Statistical, Nonlinear and Soft Matter Physics
DOI: 10.1103/PhysRevE.74.041804


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