Europhys. Lett.
Volume 70, Number 5, June 2005
Page(s) 628 - 634
Section Condensed matter: structural, mechanical and thermal properties
Published online 04 May 2005
Europhys. Lett., 70 (5), pp. 628-634 (2005)
DOI: 10.1209/epl/i2004-10520-y

On the first-order collapse transition of a three-dimensional, flexible homopolymer chain model

F. 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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