Embedded Files
EAM Potential
EAM Potential
Latest: ZrAl.lammps.eam (updated on 10/05/2011)
Potential plots: pair function, density function, embedding function
First principles database for ZrAl EAM potential development
Old version 1: ZrAl_lammps.eam (03/04/2009)
Al-Zr Phase Diagram
Al-Zr Phase Diagram
Al-Zr Crystal Structures
Al-Zr Crystal Structures
Note: cif files list the structures of the unit cell.
Al-Zr crystal properties predicted by EAM
Equation of State: EAM vs. Ab initio
Ab initio Calculations
Ab initio Calculations
Page updated
Google Sites
Report abuse