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A modified embedded-atom method interatomic potential for the Cu–Zr system

Published online by Cambridge University Press:  31 January 2011

Young-Min Kim  and
Byeong-Joo Lee
Young-Min Kim
Affiliation:
Department of Materials Science and Engineering, Pohang University of Science and Technology, Pohang 790-784, Republic of Korea
Byeong-Joo Lee*
Affiliation:
Department of Materials Science and Engineering, Pohang University of Science and Technology, Pohang 790-784, Republic of Korea
*
a)Address all correspondence to this author. e-mail: calphad@postech.ac.kr
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Abstract

A modified embedded-atom method (MEAM) interatomic potential for the Cu–Zr system has been developed based on the previously developed MEAM potentials for pure Cu and Zr. The potential describes fundamental physical properties and alloy behavior of the Cu–Zr binary system reasonably well. The applicability of the potential to atomistic investigations of mechanical and deformation behavior for the Cu–Zr binary and Cu–Zr-based multicomponent amorphous alloys is also demonstrated by showing that fully relaxed and realistic amorphous structures can be generated by molecular dynamics simulations.

Keywords

AmorphousCuZr

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Type
Articles
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Journal of Materials Research , Volume 23 , Issue 4 , April 2008 , pp. 1095 - 1104
Copyright
Copyright © Materials Research Society 2008

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References

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