Warning! Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.
Updated! Potentials that share interactions are now listed as related models.
Citation: Y.-M. Kim, and B.-J. Lee (2008), "A modified embedded-atom method interatomic potential for the Cu–Zr system", Journal of Materials Research, 23(4), 1095-1104. DOI: 10.1557/jmr.2008.0130.
Abstract: A modified embedded-atom method (MEAM) interatomic potential for the Cu–Zr system has been developed based on the previously developed MEAM potentials for pure Cu and Zr. The potential describes fundamental physical properties and alloy behavior of the Cu–Zr binary system reasonably well. The applicability of the potential to atomistic investigations of mechanical and deformation behavior for the Cu–Zr binary and Cu–Zr-based multicomponent amorphous alloys is also demonstrated by showing that fully relaxed and realistic amorphous structures can be generated by molecular dynamics simulations.
This page displays computed properties for the MEAM_2NN_Fe_to_Ga__MO_145522277939_001 implementation of the 2008--Kim-Y-M-Lee-B-J--Cu-Zr potential. Computed values for other implementations can be seen by clicking on the links below: