Dear lammps-users:
I use fix indent to construct an indentation on silicon, but the indenter is virtual, so how can i calculate the force and stress on the indenter and get the hardness and modulus of the substrate?
Thank you， and wait eagerly for the reply.
yours Susie
If by "virtual" you mean the indenter is
not built out of atoms in your simulation, then
that's what fix indent does.
The fix stores the force on the indenter. See its
doc page the Section 4.15 of the manual for
how to output those values. If you divide by
the surface area of the indenter you have the
pressure it experiences.
Steve