Dear professors,
Is potential function between water and metal such as copper in Lammps? I have tried to find it from the manual and papers, but I am still not sure about that.
Best wishes,
She
University of Wisconsin-Madison
Dear professors,
Is potential function between water and metal such as copper in Lammps? I have tried to find it from the manual and papers, but I am still not sure about that.
you are asking the wrong question. there is not *the* potential
function between water and metals. there are just models with
different degrees of approximation. so what you should ask (primarily
yourself) are *two* questions: 1) what is a suitable model for
interactions between water and metal? and then (and only then) 2) is
this model implemented in LAMMPS?
now what is suitable is highly dependent on the details of your
research and thus best determined by comparing what other people have
done and whether their level of detail and accuracy is adequate for
your needs. only you can know and decide this. also talk with your
adviser.
axel.