Cu-Zr

EAM Potential

Latest: ZrCu.lammps.eam (updated on 10/5/2011)

imd format: (ZrCu_phi.imd.pt, ZrCu_rho.imd.pt, ZrCu_F.imd.pt)

Potential plots: pair function, density function, embedding function

First-principles database for EAM potential development: force.dat

Old version 1: ZrCu_lammps.eam (03/09/2009)

Lammps Examples

MD simulation of the glass formation of Zr54Cu46: input script and initial atomic configuration

Cu-Zr Phase Diagram

Cu-Zr Crystal Structures

Cu-Zr crystal properties predicted by EAM

Equation of state: EAM vs. Ab initio

Molecular Simulations Using Cu-Zr Potentials

Citation: Y. Q. Cheng and E. Ma, Atomic-level structure and structure–property relationship in metallic glasses. Prog. Mater. Sci. (2011), doi:10.1016/j.pmatsci.2010.12.002

Movie showing the development of a dominant and narrow shear band, as well as the resulting shear offset, in a simulated Cu64Zr36 metallic glass under tension. (Courtesy of Dr. A.J. Cao)

Movie showing spread-out shear transformations and the activation of multiple (diffusing) shear bands in a simulated Cu20Zr80 metallic glass under tension. (Courtesy of Dr. A.J. Cao)