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Modified embedded-atom method calculation for the Ni–W system

Published online by Cambridge University Press:  31 January 2011

Jae-Hyeok Shim
Affiliation:
Nano-Materials Research Center, Korea Institute of Science and Technology, Seoul 136–791, Korea
Sung Il Park
Affiliation:
Center for Microstructure Science of Materials, Seoul National University, Seoul 151–742, Korea
Young Whan Cho
Affiliation:
Nano-Materials Research Center, Korea Institute of Science and Technology, Seoul 136–791, Korea
Byeong-Joo Lee
Affiliation:
Department of Materials Science and Engineering, Pohang University of Science and Technology, Pohang 790–784, Korea
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Abstract

A semi-empirical interatomic potential of the Ni–W system was developed using a modified embedded-atom method (MEAM) formalism including second-nearest-neighbor interactions. The cross potential was determined by fitting physical properties of tetragonal Ni4W available in the literature. The MEAM potential was used to predict phase stabilities, lattice constants, and bulk moduli of nonequilibrium and equilibrium phases in the Ni–W system. The results were in good agreement with experimental information or first-principles calculation.

Type
Articles
Copyright
Copyright © Materials Research Society 2003

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References

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