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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 148-149Chen's Lattice Inversion Embedded-Atom Method for...

Chen's Lattice Inversion Embedded-Atom Method for Nial and Ni₃Al Alloy

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Abstract:

We explored a new type alloy EAM potential (CLI-EAM) that the value of atomic electron density and pair potential between distinct atoms are obtained by Chen’s lattice inversion based on first-principles calculations. The alloy CLI-EAM potential acquired from NiAl alloy can also apply in Ni3Al successfully and the results of basic properties agreed with the experiments. The results of formation energy of point defects of NiAl and Ni₃Al alloy indicate that the structural defects are anti-site defects of Al when enrichments of Al atoms.

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Applied Mechanics and Materials (Volumes 148-149)

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766-772

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.148-149.766

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Online since:

December 2011

Authors:

Chuan Hui Zhang, Jia Jia Han, Shuo Huang, Jiang Shen

Keywords:

Alloy, Chen’s Lattice Inversion, EAM, Ni-Al

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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