Effective model hierarchies for dynamic and static classical density functional theories

S. Majaniemi*, N. Provatas, M. Nonomura

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Article number1364111
JournalJournal of Physics Condensed Matter
Volume22
Issue number36
DOIs
Publication statusPublished - 20 Aug 2010
MoE publication typeA1 Journal article-refereed

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