[lammps-users] Thermostat in fix thermal/conductivity

Hi Users,

I’m using fix thermal/conductivity for getting a output for heat conduction using hot plate experiment in Cu. For results I need a Temeprature Vs Depth graph.
Here’s my methodology in (in.swap)-
1.) Define two regions, lower and rest. The lower is of 3 A and rest of 57 A.
2.) Then used compute temp/region for lower and compute temp for rest.
3.) Them imparted velocities to 2 different regions separately at different temperatures.
4.) Applied a thermostat on total system and separate thermostat for lower region.
5.) Then used thermal conductivity for momentum exchange between lower and middle layer.
6.) Then used variable and compute ke/atom for calculating temperature.
7.) The results are output using fix ave/spatial.

My script file, temperature profile and log files are attached.

Now my questions-
1.) Why the lower layer is not held at specified temperature even though I have included fix temp/rescale in my code? So that I can plot a graph for T Vs Depth for layers (lower to middle layers).
2.) Does fix thermal/conductivity works for this application as I need a real time heat conduction profile for conductors. As it exchanges momentuum with middle layer instead of hot/cold interface of subsequent layers of workpiece.


in.swap (1.05 KB)

swap.profile (48.9 KB)

log.lammps (9.36 KB)