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Modified embedded-atom method interatomic potentials for the Ni-Co binary and the Ni-Al-Co ternary systems

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44 Citations (Scopus)

Abstract

Interatomic potentials for the Ni-Co binary and Ni-Al-Co ternary systems have been developed on the basis of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials describe structural, thermodynamic, deformation and defect properties of solid solution phases or compound phases in reasonable agreements with experiments or first-principles calculations. The results demonstrate the transferability of the potentials and their applicability to large-scale atomistic simulations to investigate the effect of an alloying element, cobalt, on various microstructural factors related to mechanical properties of Ni-based superalloys on an atomic scale.

Original languageEnglish
Article number055004
JournalModelling and Simulation in Materials Science and Engineering
Volume23
Issue number5
DOIs
Publication statusPublished - 1 Jul 2015

Bibliographical note

Publisher Copyright:
© 2015 IOP Publishing Ltd.

Keywords

  • Ni-Al-Co
  • Ni-based superalloys
  • atomistic simulation
  • modified embedded-atom method

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