Autocorrelation study of the Θ transition for a coarse-grained polymer model

Kai Qi; Michael Bachmann

doi:10.1063/1.4891800

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arXiv · 1408.3648

Autocorrelation study of the Θ transition for a coarse-grained polymer model

Kai Qi·Michael Bachmann

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Abstract

By means of Metropolis Monte Carlo simulations of a coarse-grained model for flexible polymers, we investigate how the integrated autocorrelation times of different energetic and structural quantities depend on the temperature. We show that, due to critical slowing down, an extremal autocorrelation time can also be considered as an indicator for the collapse transition that helps to locate the transition point. This is particularly useful for finite systems, where response quantities such as the specific heat do not necessarily exhibit clear indications for pronounced thermal activity.

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Kai Qi, Michael Bachmann. 2014-08-15. Autocorrelation study of the Θ transition for a coarse-grained polymer model. https://doi.org/10.1063/1.4891800

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