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Effects Of Stiffness On Short, Semiflexible Homopolymer Chains

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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)

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.

Suggested Citation

  • Daniel T. Seaton & Stefan Schnabel & Michael Bachmann & David P. Landau, 2012. "Effects Of Stiffness On Short, Semiflexible Homopolymer Chains," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 23(08), pages 1-7.
    • Handle: RePEc:wsi:ijmpcx:v:23:y:2012:i:08:n:s0129183112400049
    DOI: 10.1142/S0129183112400049
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