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2003--Hoyt-J-J-Garvin-J-W-Webb-E-B-Asta-M--Cu-Pb

Citation: J.J. Hoyt, J.W. Garvin, E.B. Webb, and M. Asta (2003), "An embedded atom method interatomic potential for the Cu-Pb system", Modelling and Simulation in Materials Science and Engineering, 11(3), 287-299. DOI: 10.1088/0965-0393/11/3/302.
Abstract: A simple procedure is used to formulate a Cu–Pb pair interaction function within the embedded atom (EAM) method framework. Embedding, density and pair functions for pure Cu and pure Pb are taken from previously published EAM studies. Optimization of the Cu–Pb potential was achieved by comparing with experiment the computed heats of mixing for Cu–Pb liquid alloys and the equilibrium phase diagram, the latter being determined via a thermodynamic integration technique. The topology of the temperature-composition phase diagram computed with this EAM potential is consistent with experiment and features a liquid–liquid miscibility gap, low solubility of Pb in solid Cu and a monotectic reaction at approximately 1012 K.

LAMMPS pair_style eam/alloy (2003--Hoyt-J-J--Cu-Pb--LAMMPS--ipr1)
See Computed Properties
Notes: This file was supplied by J.J. Hoyt on 14 October 2008.
File(s):
See Computed Properties
Notes: Listing found at https://openkim.org. This KIM potential is based on the files from 2003--Hoyt-J-J--Cu-Pb--LAMMPS--ipr1.
Link(s):
Date Created: October 5, 2010 | Last updated: July 09, 2021