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Journal of Statistical Physics
Article . 1997 . Peer-reviewed
License: Springer TDM
Data sources: Crossref
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zbMATH Open
Article . 1997
Data sources: zbMATH Open
https://dx.doi.org/10.48550/ar...
Article . 1997
License: arXiv Non-Exclusive Distribution
Data sources: Datacite
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Phase Transitions of Single Semistiff Polymer Chains

Phase transitions of single semistiff polymer chains
Authors: Bastolla, Ugo; Grassberger, Peter;

Phase Transitions of Single Semistiff Polymer Chains

Abstract

We study numerically a lattice model of semiflexible homopolymers with nearest neighbor attraction and energetic preference for straight joints between bonded monomers. For this we use a new algorithm, the "Pruned-Enriched Rosenbluth Method" (PERM). It is very efficient both for relatively open configurations at high temperatures and for compact and frozen-in low-T states. This allows us to study in detail the phase diagram as a function of nn-attraction epsilon and stiffness x. It shows a theta-collapse line with a transition from open coils to molten compact globules (large epsilon) and a freezing transition toward a state with orientational global order (large stiffness x). Qualitatively this is similar to a recently studied mean field theory (Doniach et al. (1996), J. Chem. Phys. 105, 1601), but there are important differences. In contrast to the mean field theory, the theta-temperature increases with stiffness x. The freezing temperature increases even faster, and reaches the theta-line at a finite value of x. For even stiffer chains, the freezing transition takes place directly without the formation of an intermediate globule state. Although being in contrast with mean filed theory, the latter has been conjectured already by Doniach et al. on the basis of low statistics Monte Carlo simulations. Finally, we discuss the relevance of the present model as a very crude model for protein folding.

11 pages, Latex, 8 figures

Keywords

Statistical Mechanics (cond-mat.stat-mech), protein folding, Statistical mechanics of polymers, Soft Condensed Matter (cond-mat.soft), FOS: Physical sciences, Phase transitions (general) in equilibrium statistical mechanics, Condensed Matter - Soft Condensed Matter, polymers, Condensed Matter - Statistical Mechanics, phase transitions

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
97
Top 10%
Top 10%
Top 10%
Green
bronze