Einstein-Helfand form for transport coefficients from coarse-grained descriptions

Pep Español
Phys. Rev. E 80, 061113 – Published 10 December 2009

Abstract

We revisit the statistical mechanics problem of coarse-graining a system that at a detailed level is described by an already coarse-grained dynamics. The dynamics at the more detailed level is described by a Fokker-Planck equation instead of the Liouville equation. The method generalizes Zwanzig theory of projection operators and produces a friction matrix in terms of a correlation function that is not manifestly an autocorrelation. Therefore, from this expression, it is not obvious that the friction matrix is definite positive. We show that the Green-Kubo transport matrix can be written in the Einstein-Helfand form, which is manifestly positive definite. We also discuss the role of time reversal and detailed balance in the coarse-grained dynamics.

  • Figure
  • Received 20 August 2009

DOI:https://doi.org/10.1103/PhysRevE.80.061113

©2009 American Physical Society

Authors & Affiliations

Pep Español

  • Departamento de Física Fundamental, UNED, Apartado 60141, 28080 Madrid, Spain and Freiburg Institute for Advanced Studies, Albertstrasse 19, Freiburg i.Br. D-79104, Germany

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Issue

Vol. 80, Iss. 6 — December 2009

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