Density Functional Mean Field Theory Of Crystal-Melt Interfaces

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We present a density-functional approach for crystal-melt interface tension of simple metals. The theory is applied to simple bcc metal Na, and simple fcc metals A1 and Pb. Comparing with available experimental surface tensions of these elements, the calculated results are in fairly good agreement with the measurements by conjecturing that the 10–90 width of the interfacial transition zone is about ten atomic layers, which is motivated from computer simulation.

Original languageEnglish (US)
Pages (from-to)39-43
Number of pages5
JournalPhysics and Chemistry of Liquids
Volume20
Issue number1
DOIs
StatePublished - Jul 1989

Fingerprint

Mean field theory
Metals
Crystals
Surface tension
metals
crystals
interfacial tension
computerized simulation
Computer simulation

Keywords

  • Debye Waller factor
  • Density functional
  • crystal-melt interface
  • surface tension

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Density Functional Mean Field Theory Of Crystal-Melt Interfaces. / Zeng, Xiao Cheng.

In: Physics and Chemistry of Liquids, Vol. 20, No. 1, 07.1989, p. 39-43.

Research output: Contribution to journalArticle

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