Reconstruction of a first-order phase transition from computer simulations of individual phases and subphases

Details Reconstruction of a first-order phase transition from computer simulations of individual phases and subphases Reconstruction of a first-order phase transition from computer simulations of individual phases and subphases

1995-11-23

arxiv.org/abs/adap-org/9511003v1

Physics

Condensed Matter

13 pages in preprint mode, REVTeX, 2 Figures available from the authors (walter.nadler@uni-tuebingen.de, martin.ebeling@uni-tu

Scientific paper

10.1103/PhysRevE.53.3365

We present a new method for investigating first-order phase transitions using Monte Carlo simulations. It relies on the multiple-histogram method and uses solely histograms of individual phases. In addition, we extend the method to include histograms of subphases. The free energy difference between phases, necessary for attributing the correct statistical weights to the histograms, is determined by a detour in control parameter space via auxiliary systems with short relaxation times. We apply this method to a recently introduced model for structure formation in polypeptides for which other methods fail.

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