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Density Functional Mean Field Theory Of Crystal-Melt Interfaces

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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. © 1989, Taylor & Francis Group, LLC. All rights reserved.
Original languageEnglish
Pages (from-to)39-43
JournalPhysics and Chemistry of Liquids
Volume20
Issue number1
DOIs
Publication statusPublished - Jul 1989
Externally publishedYes

Bibliographical note

Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

Research Keywords

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

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