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Transport coefficient
A Transport coefficient \gamma can be expressed via a Green-Kubo relation:
\( \gamma= \int_0^\infty \langle \dot{A}(t) \dot{A}(0) \rangle dt, \)
where A is an observable occurring in a perturbed Hamiltonian, \( \langle \cdot \rangle \) is an ensemble average and the dot above the A denotes the time derivative.[1] For times t that are greater than the correlation time of the fluctuations of the observable the transport coefficient obeys a generalized Einstein relation:
\( 2t\gamma=\langle |A(t)-A(0)|^2 \rangle \)
Examples
Diffusion constant, relates the flux of particles with the negative gradient of the concentration (see Fick's laws of diffusion)
Heat transport coefficient
Mass transport coefficient
Shear Viscosity \eta = \frac{1}{k_BT V}\int_0 ^\infty dt \langle \sigma(0)_{xy} \sigma_{xy} (t) \rangle
Electrical conductivity
See also
Linear response theory
References
Water in Biology, Chemistry, and Physics: Experimental Overviews and Computational Methodologies, G. Wilse Robinson, ISBN 9789810224516, p. 80, Google Books
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