Interatomic Potentials Repository Project

Additional information for the potentials associated with the reference:

X.W. Zhou, R.A. Johnson, and H.N.G. Wadley, "Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers," Phys. Rev. B, 69, 144113 (2004). DOI: 10.1103/PhysRevB.69.144113.

The original files sent by Dr. Zhou are:

• README
• create.f (modified to include the reference in the generated potential files)
• EAM.input
• EAM_code

The modified files are:

• README_IPR_mod
• compile_script
• EAM.input.Cu: Cu.set
• EAM.input.Ag: Ag.set
• EAM.input.Au: Au.set
• EAM.input.Ni: Ni.set
• EAM.input.Pd: Pd.set
• EAM.input.Pt: Pt.set
• EAM.input.Al: Al.set
• EAM.input.Pb: Pb.set
• EAM.input.Fe: Fe.set
• EAM.input.Mo: Mo.set
• EAM.input.Ta: Ta.set
• EAM.input.W: W.set
• EAM.input.Mg: Mg.set
• EAM.input.Co: Co.set
• EAM.input.Ti: Ti.set
• EAM.input.Zr: Zr.set
• EAM.input.TaCu: TaCu.set
• EAM.input.CuAgAu: CuAgAu.set

Note: Cu.set was tested to run with the 4Aug10 version of LAMMPS using the eam/alloy pair_style.