Effective model hierarchies for dynamic and static classical density functional theories.

J Phys Condens Matter

Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11100, FI-00076 Aalto, Finland.

Published: September 2010

The origin and methodology of deriving effective model hierarchies are presented with applications to solidification of crystalline solids. In particular, it is discussed how the form of the equations of motion and the effective parameters on larger scales can be obtained from the more microscopic models. It will be shown that tying together the dynamic structure of the projection operator formalism with static classical density functional theories can lead to incomplete (mass) transport properties even though the linearized hydrodynamics on large scales is correctly reproduced. To facilitate a more natural way of binding together the dynamics of the macrovariables and classical density functional theory, a dynamic generalization of density functional theory based on the nonequilibrium generating functional is suggested.

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Source
http://dx.doi.org/10.1088/0953-8984/22/36/364111DOI Listing

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