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  • A local dissipation theorem

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    Author(s)
    Talaei, Zahra
    Reid, James
    Bernhardt, Debra
    Griffith University Author(s)
    Bernhardt, Debra J.
    Reid, James C.
    Year published
    2012
    Metadata
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    Abstract
    The transient time correlation function is a standard method for measuring transport properties in simulations. It represents a special case of a more general theorem, the dissipation theorem, that indirectly calculates phase function averages though the use of the dissipation function. These indi- rect averages often have significantly less statistical error than direct averages. Recently, it has been demonstrated that a local version of the fluctuation theorem can be derived with a well defined devia- tion from the global result at sufficiently low fields. Here we show that a similar local expression can be obtained for ...
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    The transient time correlation function is a standard method for measuring transport properties in simulations. It represents a special case of a more general theorem, the dissipation theorem, that indirectly calculates phase function averages though the use of the dissipation function. These indi- rect averages often have significantly less statistical error than direct averages. Recently, it has been demonstrated that a local version of the fluctuation theorem can be derived with a well defined devia- tion from the global result at sufficiently low fields. Here we show that a similar local expression can be obtained for the dissipation theorem, providing a way of determining values of phase functions by monitoring the fluctuations of phase functions in a small region of the system.
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    Journal Title
    The Journal of Chemical Physics
    Volume
    137
    Issue
    12
    DOI
    https://doi.org/10.1063/1.4768897
    Copyright Statement
    © 2012 Institute of Physics Publishing. This is the author-manuscript version of this paper. Reproduced in accordance with the copyright policy of the publisher.Please refer to the journal's website for access to the definitive, published version.
    Subject
    Thermodynamics and Statistical Physics
    Transport Properties and Non-Equilibrium Processes
    Physical Sciences
    Chemical Sciences
    Engineering
    Publication URI
    http://hdl.handle.net/10072/49791
    Collection
    • Journal articles

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