An atomistic approach to general equation for the nonequilibrium reversible-irreversible coupling

Focusing on the atomistic approach to the general equation for the nonequil ibrium reversible-irreversible coupling (GENERIC) framework of nonequilibri um thermodynamics, we first summarize the atomistic expressions for the inp uts of this framework as previously derived by standard projection-operator methods. We then review to what extent GENERIC can be derived from atomist ic principles. In the context of hydrodynamics, we illustrate how one can a ctually evaluate the atomistic expressions. This example shows what steps a re involved in such calculations, and in which direction the formalism need s to be generalized in order to obtain a powerful tool for atomistic calcul ations for nonequilibrium systems of practical importance. (C) 2001 Elsevie r Science B.V. All rights reserved.