[lammps-users] Query on two temperature model

I am trying to study electron - phonon interaction in copper using EAM potential. The lattice is at 300K. I want to know what should be the input temperature of electrons in each of the grids? Should it be the Fermi temperature ? 300K does not seem to work for electrons.


Ajit, you need to define what the electron temperature is based on the physics you're interested in studying, and make sure that the models you're using for the coupling are appropriate for those physics. Unless you apply an external forcing, the electrons and phonons will relax to the same temperature.

This is more a TTM question than a LAMMPS question. I’d recommend looking more into the TTM literature and see how parameters and initial conditions are selected.

It depends on what you’re trying to model. If you want the electrons to be in thermal equilibrium with the atoms, perhaps 300K does make sense. If you’re trying to model an excited electron situation, you’d give the electrons considerably more energy.