[lammps-users] Dislocation minimization at zero degree kelvin

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1

Thank you for your reply.
I am using the EAM potenital Al_jnp.eam that came along with LAMMPS distriubution. I haven't checked with any other potential.

The dislocation I have considered is a perfect one (2 extra half planes) in the cetnre of box. I also tried by increasing the simulation size. Both are giving same results, i.e., high splitting distance with this energy tolerance of 1.e-7.

Can you suggest potential (for Al) which can be used for these types of analysis? Can I get any LAMMPS i/p file from the users who did such analysis?

Thanks and regards
Prasad

2

There is no guarantee that an arbitrary EAM potential file will
produce the correct material properties for something like this.
It may have been fit to different properties.

Steve