Modified embedded-atom method interatomic potentials for the Ni-Co binary and the Ni-Al-Co ternary systems
- Modified embedded-atom method interatomic potentials for the Ni-Co binary and the Ni-Al-Co ternary systems
- 김영광; 정우상; 이병주
- modified embedded-atom method; atomistic simulation; Ni-based
- Issue Date
- Modelling and simulation in materials science and engineering
- VOL 23, NO 5, 055004
- 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.
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