Published September 15, 2010 | Version v1
Journal article

Effective model hierarchies for dynamic and static classical density functional theories

  • 1. Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11100, FI-00076 Aalto (Finland)
  • 2. Department of Materials Science and Engineering, McMaster University, 1280 Main Street West, Hamilton, ON, L8S-4L7 (Canada)
  • 3. Department of Physics, Graduate School of Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan)

Description

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.

Availability note (English)

Available from http://dx.doi.org/10.1088/0953-8984/22/36/364111

Additional details

Identifiers

DOI
10.1088/0953-8984/22/36/364111;
PII
S0953-8984(10)56966-2;

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
22
Journal Issue
36
Journal Page Range
[14 p.]
ISSN
0953-8984
CODEN
JCOMEL