An off-lattice Wang-Landau study of the coil-globule and melting transitions of a flexible homopolymer
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]
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Parsons_An_off-lattice_Wang-Landau_2006.pdf||Published Version||338.16 kB||Adobe PDF|
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