Determining if the structure is crystalline or amorphous

LAMMPS LAMMPS Beginners
1

Dear LAMMPS Users,

I am interested in simulation of the nanoparticle formation in alloy system.
After the nanoparticle was formed through annealing at high temperature, whether the structure is amorphous was determined through the PRDF (Partial Radial Distribution Function) calculation with OVITO software.
After the annealing process at the elevated temperature, cooling process has been conducted to obtain the crystalline structure of the nanoparticle.
I wonder if there are any other method to determine whether formed structure is crystalline other than the comparison with the experimental PRDF results.

Thank you

2

This question is not really related to the LAMMPS software as it is way more broad.

Since you’re using OVITO you can have a look at the doc of the CNA implementation and the alternatives mentioned.

Note that LAMMPS also provides a compute cna/atom and a compute centro/atom for similar purposes.

3

You can look through the list of per-atom computes here compute command — LAMMPS documentation.
Unlike in the more compact compute style table, you have one line descriptions to guide you.

In addition to the ones mentioned, there are e.g., compute ackland/atom or compute orientorder/atom.