Green-Kubo relations
The Green-Kubo relations [1] [2] are expressions that relate macroscopic transport coefficients to integrals of microscopic time correlation functions. In general one has
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where is the flux.
Shear viscosity
The shear viscosity is related to the pressure tensor via
i.e. the integral of the autocorrelation of the off-diagonal components of the microscopic stress tensor.
Fluctuation theorem
The Green-Kubo relations can be derived from the Evans-Searles transient fluctuation theorem[3]
References
- ↑ Melville S. Green "Markoff Random Processes and the Statistical Mechanics of Time-Dependent Phenomena. II. Irreversible Processes in Fluids", Journal of Chemical Physics 22 pp. 398-413 (1954)
- ↑ Ryogo Kubo "Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems", Journal of the Physical Society of Japan 12 PP. 570-586 (1957)
- ↑ Debra J. Searles and Denis J. Evans "The fluctuation theorem and Green–Kubo relations", Journal of Chemical Physics 112 pp. 9727-9735 (2000)
Related reading
- Jean-Pierre Hansen and I.R. McDonald "Theory of Simple Liquids", Academic Press (2006) (Third Edition) ISBN 0-12-370535-5 (chapter 7)