[lammps-users] About NVT Simulation

Dear all,
I wish to perform a quenching process using NVT simulation in a two-dimensional plane. I am keeping Tstart at arbitrary high value and Tstop at required low value with Tdamp equal to 100 timesteps.

Is this simulation still be called NVT simulation?
Are the prepared samples in a stable or metastable state?
Helping hands will be appreciated.
Thank you

Dear all,
I wish to perform a quenching process using NVT simulation in a two-dimensional plane. I am keeping Tstart at arbitrary high value and Tstop at required low value with Tdamp equal to 100 timesteps.

Is this simulation still be called NVT simulation?

No.

Are the prepared samples in a stable or metastable state?

Impossible to say in this generality.

Hi Anupam

The simulation you have described is not an NVT strictly speaking (NVT means constant number of particles, N, constant volume, V, and constant temperature, T).
The prepared samples are most likely a supercooled liquid. If you end up with a crystal structure then most likely it is a stable state although it is unlikely to observe crystallization while the density at high and low temperatures are the same.

hope this helps
Evangelos

Στις Σάβ, 28 Αυγ 2021 στις 2:02 μ.μ., ο/η Anupam Kumar <[email protected]> έγραψε:

Dear Professor,

Can I get the input files for a water droplet resting on a graphene surface?

Best regards,

Abdelateef Adam,

Dear Prof.,
Thanks for your prompt response.

Dear Prof.,
Yes, this makes sense.
Thank you very much.