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 indirect 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 deviation 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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7 December 2012
Research Article|
December 07 2012
A local dissipation theorem Available to Purchase
Zahra Talaei;
Zahra Talaei
a)
1Department of Physics,
Isfahan University of Technology
, Isfahan 84156-83111, Iran
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James C. Reid;
James C. Reid
b)
2Australian Institute of Bioengineering and Nanotechnology,
The University of Queensland
, Brisbane, Queensland 4072, Australia
3Queensland Micro- and Nanotechnology Centre and School of Biomolecular and Physical Sciences,
Griffith University
, Brisbane, Queensland 4111, Australia
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Debra J. Searles
Debra J. Searles
c)
2Australian Institute of Bioengineering and Nanotechnology,
The University of Queensland
, Brisbane, Queensland 4072, Australia
3Queensland Micro- and Nanotechnology Centre and School of Biomolecular and Physical Sciences,
Griffith University
, Brisbane, Queensland 4111, Australia
4School of Chemistry and Molecular Biosciences,
The University of Queensland
, Brisbane, Queensland 4072, Australia
Search for other works by this author on:
Zahra Talaei
1,a)
James C. Reid
2,3,b)
Debra J. Searles
2,3,4,c)
1Department of Physics,
Isfahan University of Technology
, Isfahan 84156-83111, Iran
2Australian Institute of Bioengineering and Nanotechnology,
The University of Queensland
, Brisbane, Queensland 4072, Australia
3Queensland Micro- and Nanotechnology Centre and School of Biomolecular and Physical Sciences,
Griffith University
, Brisbane, Queensland 4111, Australia
4School of Chemistry and Molecular Biosciences,
The University of Queensland
, Brisbane, Queensland 4072, Australia
a)
Electronic mail: [email protected].
b)
Electronic mail: [email protected].
c)
Electronic mail: [email protected].
J. Chem. Phys. 137, 214110 (2012)
Article history
Received:
August 16 2012
Accepted:
November 12 2012
Citation
Zahra Talaei, James C. Reid, Debra J. Searles; A local dissipation theorem. J. Chem. Phys. 7 December 2012; 137 (21): 214110. https://doi.org/10.1063/1.4768897
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