A local dissipation theorem
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Reid, James
Bernhardt, Debra
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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 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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The Journal of Chemical Physics
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137
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12
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© 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.
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Physical sciences
Thermodynamics and statistical physics
Chemical sciences
Transport properties and non-equilibrium processes
Engineering