How many formats of interatomic potentials do exist for binary systems/alloys?

11 November 2016 1 5K Report

We use EAM (embedded atom method) with potential file of ".set" format for bimetallic alloys.

Could anyone please provide details of other interatomic potentials and the potential file format being used for bimetallic alloy, semiconductor alloy, metal-semiconductor alloy systems.

Alberto Fraile

Well, I guess it depends on the MD code you use..

for instance, in LAMMPS

http://lammps.sandia.gov/doc/pair_style.html

and about EAM styles

http://lammps.sandia.gov/doc/pair_eam.html

you can find several potentials for binary alloys here

http://www.ctcms.nist.gov/potentials/

hope it helps

Best regards

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