On the first-order collapse transition of a three-dimensional, flexible homopolymer chain modelF. Rampf, W. Paul and K. Binder
Institut für Physik, Johannes-Gutenberg-Universität Staudingerweg 7, D-55099 Mainz, Germany
received 24 November 2004; accepted in final form 18 April 2005
published online 4 May 2005
We present simulation results for the phase behavior of flexible lattice polymer chains using the Wang-Landau sampling idea. These chains display a two-stage collapse through a coil-globule transition followed by a crystallization at lower temperatures. Performing a finite-size scaling analysis on the two transitions, we show that they coincide in the thermodynamic limit corresponding to a direct collapse of the random coil into the crystal without intermediate coil-globule transition.
64.60.Cn - Order-disorder transformations: statistical mechanics of model systems.
05.10.Ln - Monte Carlo methods.
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