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

Title
Modified embedded-atom method interatomic potentials for the Ni-Co binary and the Ni-Al-Co ternary systems
Authors
김영광정우상이병주
Keywords
modified embedded-atom method; atomistic simulation; Ni-based superalloys; Ni?Al?Co
Issue Date
2015-07
Publisher
Modelling and simulation in materials science and engineering
Citation
VOL 23, NO 5, 055004
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.
URI
http://pubs.kist.re.kr/handle/201004/50723
ISSN
09650393
Appears in Collections:
KIST Publication > Article
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