[lammps-users] question about annealing and cooling process with LAMMPS

Dear All,

I want to make sure the proper way to simulate annealing and cooling process with LAMMPS. I think I can simulate annealing and cooling process by using fix NPT or NVT command. We can assign initial temperatur with Tstart parameter and final temperature with Tstop parameter. One can control cooling/annealing rate by seting Tdamp parameter. Is it right? . Is there other way?

NPT and NVT means ensamble with temperature constant(isothermic). ButAnnealing and quenching are not isothermic process. this to be honest puzzled me.

thank you in advance

with best regards,

No - the Tdamp param is not the rate. The "rate" is how long you
run the simulation. If your Tstart is 200K and Tstop is 300K and
you run for 10000 steps, then the T will change from 200 to 300
in that amount of time.