Possible to apply voltage difference in LAMMPS?

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1

Hello,

I am currently running a simulation of a carbon nanotube with water baths on both ends and was wondering if I could apply a voltage drop across my system in someway ?

Thanks in advance,

2

Hello,

I am currently running a simulation of a carbon nanotube with water baths on
both ends and was wondering if I could apply a voltage drop across my system
in someway ?

depends on how realistic a model you want.

- there is fix efield that applies a force scaled by an atom's charge

- you can just put up a grid of immovable charges/ions at each end of
the system.

the latter has been proven to be significantly more accurate for
modeling a voltage drop across biomembranes with a voltage gated ion
channel in between, which seems quite similar to what you are asking
for.

axel.