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2010--Lee-E-Lee-B-J--Fe-Al

Citation: E. Lee, and B.-J. Lee (2010), "Modified embedded-atom method interatomic potential for the Fe–Al system", Journal of Physics: Condensed Matter, 22(17), 175702. DOI: 10.1088/0953-8984/22/17/175702.
Abstract: An interatomic potential for the Fe–Al binary system has been developed based on the modified embedded-atom method (MEAM) potential formalism. The potential can describe various fundamental physical properties of Fe–Al binary alloys—structural, elastic and thermodynamic properties, defect formation behavior and interactions between defects—in reasonable agreement with experimental data or higher-level calculations. The applicability of the potential to atomistic investigations of various defect formation behaviors and their effects on the mechanical properties of high aluminum steels as well as Fe–Al binary alloys is demonstrated.

LAMMPS pair_style meam (2010--Lee-E--Fe-Al--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