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2009--Kim-Y-M-Kim-N-J-Lee-B-J--Mg

Citation: Y.-M. Kim, N.J. Kim, and B.-J. Lee (2009), "Atomistic Modeling of pure Mg and Mg-Al systems", Calphad, 33(4), 650-657. DOI: 10.1016/j.calphad.2009.07.004.
Abstract: Interatomic potentials for pure Mg and the Mg-Al binary system have been developed based on the modified embedded-atom method (MEAM) potential formalism. The potentials can describe various fundamental physical properties of pure Mg (bulk, point defect, planar defect and thermal properties) and alloy behaviors (thermodynamic, structural and elastic properties) in reasonable agreement with experimental data or higher-level calculations. The applicability of the potential to atomistic investigations on the deformation behavior of pure Mg and the effect of alloying element Al on it is discussed.

LAMMPS pair_style meam (2009--Kim-Y-M--Mg--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