Calculation of the surface energy of fee metals with modified embedded-atom method

  • Jian Min Zhang
  • , Fei Ma
  • , Ke Wei Xu

Research output: Contribution to journalArticlepeer-review

77 Scopus citations

Abstract

The surface energies for 38 surfaces of fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Rh and Ir have been calculated by using the modified embedded-atom method. The results show that, for Cu, Ag, Ni, Al, Pb and Ir, the average values of the surface energies are very close to the polycrystalline experimental data. For all fee metals, as predicted, the close-packed (111) surface has the lowest surface energy. The surface energies for the other surfaces increase linearly with increasing angle between the surfaces (hkl) and (111). This can be used to estimate the relative values of the surface energy.

Original languageEnglish
Pages (from-to)1082-1090
Number of pages9
JournalChinese Physics
Volume13
Issue number7
DOIs
StatePublished - 1 Jul 2004
Externally publishedYes

Keywords

  • Calculation
  • Modified embedded-atom method
  • Surface energy
  • fcc metals

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