How to measure an atom belong to solid or liquid

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

Follow this steps:

  1. Divide whole region box into small regions.
  2. Calculate density of each regions via calculating number of atoms / volume of the defined region.This will give you local atomic density.
  3. Multiply the answer in step 2 by molecular weight of copper and thenafter divide it via Avogadro’s number. This will yield you bulk density of the defined region.
  4. You might be knowing the density of liquid Cu and solid Cu. You may get it from NIST or some other website. Compare the density that you got in step 3 with these values of literature and get your answer.

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.