Embedded Atom Potential for BCC Iron

  • Ralph J. Harrison
  • Arthur F. Voter
  • Shao-Ping Chen
Chapter

Abstract

We have used the embedded atom method (EAM)1–4 to construct interatomic potentials for use with BCC iron. Our original motivation for this work was to model the grain boundaries in iron5. The version of the EAM we have used is essentially the same as that described in references 3 and 4, where the total energy was given as the sum of two body terms summed over pairs of atoms i,j, together with an embedding term given by the sum of embedding functions whose arguments are the total electronic charge density at the sites i.

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Copyright information

© Plenum Press, New York 1989

Authors and Affiliations

  • Ralph J. Harrison
    • 1
  • Arthur F. Voter
    • 2
  • Shao-Ping Chen
    • 2
  1. 1.Materials Reliability DivisionU.S. Army Materials Technology LaboratoryWatertownUSA
  2. 2.Theoretical DivisionLos Alamos National LaboratoryLos AlamosUSA

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