EFFECTS OF STIFFNESS ON SHORT, SEMIFLEXIBLE HOMOPOLYMER CHAINS

Daniel T. Seaton (), Stefan Schnabel (), Michael Bachmann () and David P. Landau ()
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Daniel T. Seaton: Department of Physics, Massachusetts Institute of Technology, Cambridge MA 02139, USA
Stefan Schnabel: Center for Simulational Physics, The University of Georgia, Athens GA 30602, USA
Michael Bachmann: Center for Simulational Physics, The University of Georgia, Athens GA 30602, USA
David P. Landau: Center for Simulational Physics, The University of Georgia, Athens GA 30602, USA

International Journal of Modern Physics C (IJMPC), 2012, vol. 23, issue 08, 1-7

Abstract: Conformational and transition behavior of finite, semiflexible homopolymers is studied using an extension of the Wang–Landau algorithm. Generation of a flat distribution in the sampling parameters energy and stiffness allows for efficient investigation of transitions between various conformational phases. Of particular importance is the ability to predict behavior for a given stiffness value, where three classes of minimum energy conformations are expected: Solid-globular, rod-like and toroidal. We present first results highlighting the behavior of a singleN = 20length chain.

Keywords: Homopolymer; Wang–Landau; flexible; semiflexible; conformation; 02.70.Uu; 05.70.-a; 36.20.Fz; 64.60.Cn (search for similar items in EconPapers)
Date: 2012
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DOI: 10.1142/S0129183112400049

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