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2006--Kim-J-Koo-Y-Lee-B-J--Fe-Pt

Citation: J. Kim, Y. Koo, and B.-J. Lee (2006), "Modified embedded-atom method interatomic potential for the Fe–Pt alloy system", Journal of Materials Research, 21(1), 199-208. DOI: 10.1557/jmr.2006.0008.
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.

LAMMPS pair_style meam (2006--Kim-J--Fe-Pt--LAMMPS--ipr1)
See Computed Properties
Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
File(s):
See Computed Properties
Notes: Listing found at https://openkim.org.
Link(s):
Date Created: October 5, 2010 | Last updated: July 09, 2021