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Modified embedded-atom method interatomic potential for the Fe–Pt alloy system

Published online by Cambridge University Press:  01 January 2006

Jaesong Kim ,
Yangmo Koo  and
Byeong-Joo Lee
Jaesong Kim
Affiliation:
Department of Materials Science and Engineering, Pohang University of Science and Technology, Pohang 790-784, Republic of Korea
Yangmo Koo
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 semi-empirical interatomic potential formalism, the modified embedded atom method (MEAM), has been applied to obtain an interatomic potential for the Fe–Pt alloy system, based on the previously developed potentials for pure Fe and Pt. The potential can describe basic physical properties of the alloys (lattice parameter, bulk modulus, stability of individual phases, and order/disorder transformations), in good agreement with experimental information. The procedure for the determination of potential parameter values and comparisons between the present calculation and experimental data or high level calculation are presented. The applicability of the potential to atomistic studies to investigate structural evolution of Fe50Pt50 alloy thin films during post-annealing is also discussed.

Keywords

Computer simulationElastic propertiesPhase transformation
Type
Articles
Information
Journal of Materials Research , Volume 21 , Issue 1 , January 2006 , pp. 199 - 208
Copyright
Copyright © Materials Research Society 2006

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