Hi,
can LAMMPS simulate a complex mixture system such as Al2O3-Fe2O3?
Best regards.
Hi,
can LAMMPS simulate a complex mixture system such as Al2O3-Fe2O3?
that is not the right question to ask. what you should ask (yourself)
instead is:
a) is there a (classical) model that can represent such a system well
enough for your purposes?
you should look for the answer to that in the published literature. if you
find a suitable model/parameterization, then you have to ask:
b) can LAMMPS run simulations with this model?
and you should look for the answer to that question in the LAMMPS manual,
which describes all supported models ("styles") in detail.
please keep in mind that classical models are always a compromise between
computational effort and accuracy, so there are likely different potential
models that could be used. it is up to you to figure out, whether any of
those offers the level of detail and accuracy that you need for your
research.
axel.
When Axel says “classical model”, that mainly means
a potential suitable for that mixture. Pair style in LAMMPS
lingo.
Steve