Journal Article

PreJuSER-4729

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Thermodynamics of tubelike flexible polymers

Vogel, T. ; Neuhaus, T.FZJ* ; Bachmann, M.FZJ* ; Janke, W.

2009
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/9328  doi:10.1103/PhysRevE.80.011802

Abstract: In this work, we discuss the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling methods to simulate small bead-stick polymer models with Lennard-Jones interaction among nonbonded monomers. We analyze energetic fluctuations and structural quantities to classify conformational pseudophases. We find that the tube thickness influences the thermodynamic behavior of simple tubelike polymers significantly, i.e., for a given temperature, the formation of secondary structures strongly depends on the tube thickness.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Contributing Institute(s):

1. Jülich Supercomputing Centre (JSC)
2. Theorie der Weichen Materie und Biophysik (IAS-2)
3. Theorie der Weichen Materie und Biophysik (IFF-2)

Research Program(s):

1. Scientific Computing (P41)
2. Kondensierte Materie (P54)

Appears in the scientific report 2009

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Database coverage:
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