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  • The glass transition and the Jarzynski equality

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    Author(s)
    Williams, Stephen R.
    Bernhardt, Debra
    Evans, Denis J.
    Griffith University Author(s)
    Bernhardt, Debra J.
    Year published
    2008
    Metadata
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    Abstract
    A simple model featuring a double well potential is used to represent a liquid that is quenched from an ergodic state into a history-dependent glassy state. Issues surrounding the application of the Jarzynski equality to glass formation are investigated. We demonstrate that the Jarzynski equality gives the free energy difference between the initial state and the state we would obtain if the glass relaxed to true thermodynamic equilibrium. We derive new variations of the Jarzynski equality which are relevant to the history-dependent glassy state rather than the underlying equilibrium state. It is shown how to compute the free ...
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    A simple model featuring a double well potential is used to represent a liquid that is quenched from an ergodic state into a history-dependent glassy state. Issues surrounding the application of the Jarzynski equality to glass formation are investigated. We demonstrate that the Jarzynski equality gives the free energy difference between the initial state and the state we would obtain if the glass relaxed to true thermodynamic equilibrium. We derive new variations of the Jarzynski equality which are relevant to the history-dependent glassy state rather than the underlying equilibrium state. It is shown how to compute the free energy differences for the nonequilibrium history-dependent glassy state such that it remains consistent with the standard expression for the entropy and with the second law inequality.
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    Journal Title
    Journal of Chemical Physics
    Volume
    129
    Publisher URI
    http://jcp.aip.org/
    DOI
    https://doi.org/10.1063/1.2982172
    Copyright Statement
    © 2008 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. Along with the following message: The following article appeared in The Journal of Chemical Physics, 129, 134504, 2008 and may be found at http://link.aip.org/link/?JCPSA6/129/134504/1
    Subject
    Physical sciences
    Soft condensed matter
    Chemical sciences
    Engineering
    Publication URI
    http://hdl.handle.net/10072/22005
    Collection
    • Journal articles

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