[lammps-users] Thermal Conductivity

Dear Arun,

You can access the value of the energy transferred using the f_{thermal_conductivity_fix_id} in thermo_style custom.
i.e add this line to your script
thermo_style custom {whatever values you want to print} f_4
(since the fix id that calculates thermal_conductivity is “4” in ur case)
Dividing this quantity by the time over which you accumulate the energy and cross sectional area will give you the flux.

Look at
for more details.

This is also explained in the fix thermal/conductivity page:

“The cummulative kinetic energy transferred between the bottom and middle of the simulation box (in the edim direction) is stored as a scalar quantity by this fix. This quantity is zeroed when the fix is defined and accumlates thereafter, once every N steps. The units of the quantity are energy; see the units command for details. This quantity can be accessed by various output commands, such as thermo_style custom. The scalar value calculated by this fix is “intensive”, meaning it is independent of the number of atoms in the simulation.”


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