Regarding potential of alloy

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1

Hi all,
I am carrying out MD simulation of metal cutting at nanoscale with diamond cutting tool. I am using copper(Cu), beryllium(Be), and CuBe alloy (with 2% Be by weight in Cu) as metallic substratesI am carrying out MD simulation of metal cutting at nanoscale with diamond cutting tool. For Cu and Be separately, EAM potentials (Cu_u3.eam and Be_Agrawal.eam.alloy & Be.abop) are available, however for CuBe , the potential file is not available.

Could you suggest me how to use for CuBe.

Thanks and regards

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The pair eam doc page explains that it can do “mixing” for

single element potentials to create the cross interactions.

This is for pair_style eam. Whether that creates a good

model for Cu/Be is a separate Q (not a LAMMPS Q).

If it does not, then you (or someone) needs to create

an alloy EAM file that tablulates precisely the cross interaction

you want. They use the eam/alloy pair style.

Steve