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