Nonequilibrium Ornstein-Zernike relation for Brownian many-body dynamics

作者:Brader Joseph M*; Schmidt Matthias
来源:Journal of Chemical Physics, 2013, 139(10): 104108.
DOI:10.1063/1.4820399

摘要

We derive a dynamic Ornstein-Zernike equation for classical fluids undergoing overdamped Brownian motion and driven out of equilibrium. Inhomogeneous two-time correlation functions are obtained from functional differentiation of the one-body density and current with respect to an appropriately chosen external field. Functional calculus leads naturally to non-Markovian equations of motion for the two-time correlators. Memory functions are identified as functional derivatives of a space- and time-nonlocal power dissipation functional. We propose an excess (over ideal gas) dissipation functional that both generates mode-coupling theory for the two-body correlations and extends dynamical density functional theory for the one-body fields, thus unifying the two approaches.

  • 出版日期2013-9-14