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2012--Dong-W-P-Kim-H-K-Ko-W-S-et-al--Co-Al

Citation: W.-P. Dong, H.-K. Kim, W.-S. Ko, B.-M. Lee, and B.-J. Lee (2012), "Atomistic modeling of pure Co and Co–Al system", Calphad, 38, 7-16. DOI: 10.1016/j.calphad.2012.04.001.
Abstract: Interatomic potentials for pure Co and the Co–Al binary system have been developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) potential formalism. The potentials can describe various fundamental physical properties of the relevant materials in good agreement with experimental information. The potential is utilized to an atomistic computation of interfacial properties between fcc-Co (γ) and Co3Al (γ′) phases. It is found that the anisotropy in the γ/γ′ interfacial energy is relatively small and leaves a room for further modification by alloying other elements. The applicability of the atomistic approach to an elaborate alloy design of advanced Co-based superalloys through the investigation of the effect of alloying elements on interfacial and elastic properties is discussed.

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Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
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See Computed Properties
Notes: Listing found at https://openkim.org.
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Implementation Information

This page displays computed properties for the MEAM_2NN_Fe_to_Ga__MO_145522277939_001 implementation of the 2012--Dong-W-P-Kim-H-K-Ko-W-S-et-al--Co-Al potential. Computed values for other implementations can be seen by clicking on the links below:

Date Created: October 5, 2010 | Last updated: December 14, 2023