The falling cat problem and shape effects in small molecules in a random environment: A case study

Carsten Hartmann, Tomohiro Yanao

    研究成果: Article

    2 引用 (Scopus)

    抄録

    We study the coupling between shape changes and rotations of molecules in a random environment. As a prototype of molecules or biopolymers that can undergo non-trivial conformational transitions we consider a planar four-atomic molecule, with underdamped dynamics of Langevin-type. In this simplified setting, we can extend the available gauge theory of semi-flexible molecules to the stochastic setting which allows us to analyse and explain geometric phase effects that arise from the internal motion of the molecule. Due to the stochastic nature of the Langevin system, the internal dynamics contains temperature-dependent coriolis forces that arise from the fluctuations of the angular momentum around its mean value zero. All theoretical investigations are supplemented by numerical simulations, in which we specifically investigate the dependence of the orientational shift on the parameters of the Langevin equation, i.e., friction coefficient, atomic masses, temperature and the velocity of deformation of the system. The numerical results confirm our theoretical findings. We further discuss various extension of the analysis, e.g., to the overdamped limit or optimal control.

    元の言語English
    ページ(範囲)3534-3545
    ページ数12
    ジャーナルMolecular Physics
    111
    発行部数22-23
    DOI
    出版物ステータスPublished - 2013 12 1

    Fingerprint

    cats
    falling
    Coriolis Force
    Cats
    Biopolymers
    Molecules
    Temperature
    Friction
    molecules
    Coriolis force
    atomic weights
    Angular momentum
    biopolymers
    optimal control
    coefficient of friction
    Gages
    gauge theory
    angular momentum
    prototypes
    temperature

    ASJC Scopus subject areas

    • Physical and Theoretical Chemistry
    • Condensed Matter Physics
    • Biophysics
    • Molecular Biology

    これを引用

    The falling cat problem and shape effects in small molecules in a random environment : A case study. / Hartmann, Carsten; Yanao, Tomohiro.

    :: Molecular Physics, 巻 111, 番号 22-23, 01.12.2013, p. 3534-3545.

    研究成果: Article

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