Hi, all lammps users,
I am trying to simulate the melting process of copper. I need to find the solid-liquid interface, but i don’t know how to measure an atom belong to solid or liquid phase. Does anybody can give me some advice on this?
Regards,
Jacobi
Hi, all lammps users,
I am trying to simulate the melting process of copper. I need to find the solid-liquid interface, but i don’t know how to measure an atom belong to solid or liquid phase. Does anybody can give me some advice on this?
LAMMPS offers a large variety of computes, that can compute some per-atom parameter related to local structure. for example: cna/atom, cnp/atom, centro/atom, ackland/atom, or coord/atom. these parameters are usually quite sensitive to indicate changes in local order.
axel.