[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
http://lammps.sandia.gov/doc/thermo_style.html
for more details.

This is also explained in the fix thermal/conductivity page:
(http://lammps.sandia.gov/doc/fix_thermal_conductivity.html)

“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.”

Cheers!
Mario

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