Journal
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
Volume 23, Issue 5, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0965-0393/23/5/055004
Keywords
modified embedded-atom method; atomistic simulation; Ni-based superalloys; Ni-Al-Co
Funding
- KIST Institutional Programs [2E24692]
- Ministry of Science, ICT & Future Planning, Republic of Korea [2E25322] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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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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