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Phys. Rev. E 72, 061102 (2005) [11 pages]

Generalized Green-Kubo formulas for fluids with impulsive, dissipative, stochastic, and conservative interactions

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M. H. Ernst1,2 and R. Brito2,3
1Institute for Theoretical Physics, Universiteit Utrecht, 3508 TD Utrecht, The Netherlands
2Departamento de Física Aplicada I, Universidad Complutense, E-28040 Madrid, Spain
3GISC, Universidad Complutense, E-28040 Madrid, Spain

Received 12 September 2005; published 9 December 2005

We present a generalization of the Green-Kubo expressions for thermal transport coefficients μ in complex fluids of the generic form μ=μ+∫0dtV−1Jϵ exp(tL)J0, i.e., a sum of an instantaneous transport coefficient μ, and a time integral over a time correlation function in a state of thermal equilibrium between a current J and its conjugate current Jϵ. The streaming operator exp(tL) generates the trajectory of a dynamical variable J(t)=exp(tL)J when used inside the thermal average ⟨⋯⟩0. These formulas are valid for conservative, impulsive (hard spheres), stochastic, and dissipative forces (Langevin fluids), provided the system approaches a thermal equilibrium state. In general μ≠0 and JϵJ, except for the case of conservative forces, where the equality signs apply. The most important application in the present paper is the hard sphere fluid.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.72.061102
DOI:
10.1103/PhysRevE.72.061102
PACS:
05.20.Dd, 05.40.−a