what unit conversion is required to get thermal conductivity in W/mK. and what is the unit Molecular Dynamics code will give for thermal conductivity. If any one of user can tell me, I’ll be very much thankful to them.
warm regards
Vijay Kumar Sutrakar
See the doc page on the fix thermal/conductivity command
and the Muller-Plathe paper it cites:
"As described below, the total kinetic energy transferred by these
swaps is computed by the fix and can be output. Dividing this
quantity by time and the cross-sectional area of the simulation box
yields a heat flux. The ratio of heat flux to the slope of the
temperature profile is the thermal conductivity of the fluid,
in appopriate units. See the "Muller-Plathe paper"_#Muller-Plathe for
details."
Steve