Dear Lammps Users
I’m trying to simulate indentation; the input script is here:
#3d lattice
units metal
boundary p s pDear Lammps Users
I'm trying to simulate indentation; the input script is here:
this input has multiple problems beyond your question:
- it is not using correct syntax and cannot complete with a current
version of LAMMPS that checks more thoroughly
- there are multiple "run" commands without any time integration fixes
present, so they have no effect. there should be warnings in the
output noting this
- you are using temp/rescale with a very narrow margin on every step.
this is flat out wrong. please see the mailing list archives for
repeated discussions why temp/rescale is a bad choice in general, but
also with your settings it will be called in every step and thus
produce a very tainted trajectory.
As you may have checked the above given script with running it, you see
temperature increases very much during the indentation (from 300 Kelvin to
about 1500 Kelvin) which I think is not reasonable; Would you please give me
some help to resolve this problem?
i disagree with your assessment. have you ever hit a piece of metal
with a hammer? repeatedly and hard? and then touched it? it does warm
up. now you are smashing an object into a piece of metal at a much
higher speed. why should it not heat up a lot?
in general, try to talk to your adviser or somebody with experience in
MD and LAMMPS and learn how to set up such a simulation correctly and
in general learn more about how MD is properly done. just go to the
physics department of your own university to find such experts. we
cannot provide you with this training over a mailing list.
and the other question is: Is order of fix commands right?
this is irrelevant considering all the other problems with this input.
axel.