Embedded Files
EAM Potential
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
Lammps Examples
MD simulation of the glass formation of Zr54Cu46: input script and initial atomic configuration
Cu-Zr Phase Diagram
Cu-Zr Phase Diagram
Cu-Zr Crystal Structures
Cu-Zr Crystal Structures
Cu-Zr crystal properties predicted by EAM
Cu-Zr crystal properties predicted by EAM
Equation of state: EAM vs. Ab initio
Molecular Simulations Using Cu-Zr Potentials
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)
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