How to involve the contribution of electrons in thermal conductivity in MD simulatio

July,4th
Hello,
My simulation is to heat copper .I know that MD ignores the electron motion. In my former simulation ,I ignored the contribution of electrons in thermal conductivity .Now I want to consider the contribution of electrons in thermal conductivity.Can LAMMPS do it?
I really appreciate for your help~
Nafens

July,4th
Hello,
My simulation is to heat copper .I know that MD ignores the electron motion.
In my former simulation ,I ignored the contribution of electrons in thermal
conductivity .Now I want to consider the contribution of electrons in
thermal conductivity.Can LAMMPS do it?

that is a strange question. first you say MD cannot do
it, and then you ask whether LAMMPS *can* do it?

have you looked at publications? how do you plan to include
the heat transfer through electrons? have you looked through
the LAMMPS documentation, e.g. at this?
http://lammps.sandia.gov/doc/fix_ttm.html

axel

Hello Nafens, you can try it with the atc package. As always, you must find reasonable parameters to model the propagation of the electron temperature field.
Jeremy

And you can look at the fix ttm command.

Steve