Dear LAMMPS users,
I am trying to find the crystallization front in my system ( studying silicon melt and crystallization ) could you suggest some measure which to use and which is implemented in LAMMPS, I though about centro/symmetry but as far I understand it is valid only in the case of FCC lattice and not in the case of diamond lattice.
From a LAMMPS dump snapshot you can compute a structure factor, which can
sometimes (within statistical limits) distinguish between liquid and solid
state, though it would be tricky to do spatially, e.g. track a front. You might
look at papers on the LAMMPS pub page that talk about melting. I know J Hoyt
has done tracking of melt fronts, but I don't recall the details of how.