Dear LAMMPS user,
I am running a lammps simulation for a structure of atoms. The structure contains a precipitate of defected atoms in the middle. I am trying to indent (applying nanoindentation test) to the structure. However, when I start indenting the structure (in the first step) the energy dissipate and the atoms return back to their original lattice points, so the precipitate diminish to small clusters. How can I stop these atoms from moving and keep the precipitate (atoms) in the same positions during the indentation process, i.e keep the energy in the atoms?
I tried the freeze command but it freezes the whole structure which I am not looking for .
Thanks
Dear LAMMPS user,
I am running a lammps simulation for a structure of atoms. The structure
contains a precipitate of defected atoms in the middle. I am trying to
indent (applying nanoindentation test) to the structure. However, when I
start indenting the structure (in the first step) the energy dissipate and
the atoms return back to their original lattice points, so the precipitate
diminish to small clusters. How can I stop these atoms from moving and keep
the precipitate (atoms) in the same positions during the indentation
process, i.e keep the energy in the atoms?
you are asking the 'pixar movie question', that is: how can i get a movie
where my atoms move the way i want them to?
however, you should rather ask yourself the 'science movie question': why
do the atoms move the way they do and not the way i want?
once you understand the why, it should be straightforward to address the
problem. or you may even realize that there is no problem.
if you still (only) want an answer to the first question, good luck.
as for the second type of question, it is for you to figure out. perhaps
your simulation setup is wrong, perhaps some parameters are wrong, perhaps
your expectation of how your material behaves is wrong. nobody can say from
a vague description and it isn't really a LAMMPS problem at this point.
axel.