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An off-lattice Wang-Landau study of the coil-globule and melting transitions of a flexible homopolymer

Parsons, Drew F.; Williams, David R. M.

Description

The Wang-Landau Monte Carlo approach is applied to the coil-globule and melting transitions of off-lattice flexible homopolymers. The solid-liquid melting point and coil-globule transition temperatures are identified by their respective peaks in the heat capacity as a function of temperature. The melting and theta points are well separated, indicating that the coil-globule transition occurs separately from melting even in the thermodynamic limit. We also observe a feature in the heat capacity...[Show more]

CollectionsANU Research Publications
Date published: 2006-06-13
Type: Journal article
URI: http://hdl.handle.net/1885/15774
Source: The Journal of Chemical Physics
DOI: 10.1063/1.2209684

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