Total Energy keeps decreasing constantly.

LAMMPS LAMMPS Mailing List Mirror
1

Hi Everyone,

Greetings!

I’ve been working on Molecular dynamics simulation of Nanoindentation of carbon reinforced polymer.
I’m shrinking the box (contains CNT, Epon 862 and DETDA) with 0.01fs to run 60,00,000 iterations.

As part of my results, temperature is constant but total energy keeps decreasing constantly instead of constant.
Please help me with this.

Thanks in advance,

Ashok Kumar Bevara

2

Hi Everyone,

Greetings!

I've been working on Molecular dynamics simulation of Nanoindentation of
carbon reinforced polymer.
I'm shrinking the box (contains CNT, Epon 862 and DETDA) with 0.01fs to run

0.01fs? seriously??

60,00,000 iterations.

so 60ps. that is not a lot.

As part of my results, temperature is constant but total energy keeps
decreasing constantly instead of constant.

sorry, but how is that a question about LAMMPS?
have you discussed this with your adviser/supervisor or a colleague?