nanoindentation using reaxFF

Hi,

I want to do nano-indentation using reaxFF in LAMMPS. Tip atoms interact with L_J pot. and, tip and substrate material will also interact with L-J potential and substrate atoms will interact with reaxFF potential. But recently lammps disabled HYBRID function for reaxFF. Is their any other way to do this…

thanks in advance

Hi,

I want to do nano-indentation using reaxFF in LAMMPS. Tip atoms interact
with L_J pot. and, tip and substrate material will also interact with L-J
potential and substrate atoms will interact with reaxFF potential. But
recently lammps disabled HYBRID function for reaxFF. Is their any other way
to do this..

it was disabled, because it was never implemented.

to make it work, you have to write the support code
that implements the proper mapping of atom types
and is currently missing to support its use in hybrid
pair styles

axel.

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