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  • Planar mixed flow and chaos: Lyapunov exponents and the conjugate-pairing rule

    Author(s)
    Bernardi, Stefano
    Frascoli, Federico
    Bernhardt, Debra
    Todd, B.
    Griffith University Author(s)
    Bernhardt, Debra J.
    Bernardi, Stefano
    Year published
    2011
    Metadata
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    Abstract
    In this work we characterize the chaotic properties of atomic fluids subjected to planar mixed flow, which is a linear combination of planar shear and elongational flows, in a constant temperature thermodynamic ensemble. With the use of a recently developed nonequilibrium molecular dynamics algorithm, compatible and reproducible periodic boundary conditions are realized so that Lyapunov spectra analysis can be carried out for the first time. Previous studies on planar shear and elongational flows have shown that Lyapunov spectra organize in different ways, depending on the character of the defining equations of the system. ...
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    In this work we characterize the chaotic properties of atomic fluids subjected to planar mixed flow, which is a linear combination of planar shear and elongational flows, in a constant temperature thermodynamic ensemble. With the use of a recently developed nonequilibrium molecular dynamics algorithm, compatible and reproducible periodic boundary conditions are realized so that Lyapunov spectra analysis can be carried out for the first time. Previous studies on planar shear and elongational flows have shown that Lyapunov spectra organize in different ways, depending on the character of the defining equations of the system. Interestingly, planar mixed flow gives rise to chaotic spectra that, on one hand, contain elements common to those of shear and elongational flows but also show peculiar, unique traits. In particular, the influence of the constituent flows in regards to the conjugate-pairing rule (CPR) is analyzed. CPR is observed in homogeneously thermostated systems whose adiabatic (or unthermostated) equations of motion are symplectic. We show that the component associated with the shear tends to selectively excite some of those degrees, and is responsible for violations in the rule.
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    Journal Title
    The Journal of Chemical Physics
    Volume
    134
    Issue
    11
    DOI
    https://doi.org/10.1063/1.3567095
    Subject
    Soft Condensed Matter
    Transport Properties and Non-Equilibrium Processes
    Physical Sciences
    Chemical Sciences
    Engineering
    Publication URI
    http://hdl.handle.net/10072/42482
    Collection
    • Journal articles

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