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 language | English |
|---|---|
| Article number | 055004 |
| Journal | Modelling and Simulation in Materials Science and Engineering |
| Volume | 23 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - 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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