CNT tension/compression

LAMMPS LAMMPS Mailing List Mirror
1

Hi all,

I am a beginner LAMMPS user and I am trying to simulate a CNT under tension and compression. Attached are the input script that I have come up with. However, I can’t seem to see any tension/compression under VMD. What I am wondering is

  1. Is there something that I missed out?

  2. How do I extract values from LAMMPS to plot the stress/strain curve?

  3. Do I need to use minimize command? Ho does this command affect my results?

Thank you.

Regards,

Farah Liyana

inputcnt2.txt (613 Bytes)

data.cnt.txt (43.2 KB)

2

Hi all,

I am a beginner LAMMPS user and I am trying to simulate a CNT under tension and compression to study the buckling of the cnt. Attached are the input script that I have come up with. However, I can’t seem to see any tension/compression under VMD. What I am wondering is

  1. Is there something that I missed out?

  2. How do I extract values from LAMMPS to plot the stress/strain curve?

Thank you.

Regards,

Farah Liyana

inputcnt2.txt (613 Bytes)

data.cnt.txt (43.2 KB)

3

Is your nvt command applied to the end atoms as well
as the middle ones. You don't want to do this if you want the
ends to move. The thermostat will reset the velocities.

Steve

4

Thank you, I’ve changed to set the nvt command to the middle atoms only. However, I only get 6 frames when I load up the simulation on VMD. Why is this so?

Farah

5

Thank you, I've changed to set the nvt command to the middle atoms only.
However, I only get 6 frames when I load up the simulation on VMD. Why is
this so?

who knows? have you checked the output during the simulation?
set thermo to 10 or 1 to monitor the status of the simulation.

axel.