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arXiv · 0710.4575

Microcanonical Analyses of Peptide Aggregation Processes

Christoph Junghans·Michael Bachmann·Wolfhard Janke
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Abstract

We propose the use of microcanonical analyses for numerical studies of peptide aggregation transitions. Performing multicanonical Monte Carlo simulations of a simple hydrophobic-polar continuum model for interacting heteropolymers of finite length, we find that the microcanonical entropy behaves convex in the transition region, leading to a negative microcanonical specific heat. As this effect is also seen in first-order-like transitions of other finite systems, our results provide clear evidence for recent hints that the characterisation of phase separation in first-order-like transitions of finite systems profits from this microcanonical view.

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Christoph Junghans, Michael Bachmann, Wolfhard Janke. 2007-10-24. Microcanonical Analyses of Peptide Aggregation Processes. https://doi.org/10.1103/physrevlett.97.218103

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