LAMMPS version : (17 Apr 2024)
Hello LAMMPS users,
The below picture is my temperature profile of semi-crystalline polyethylene with two Langevin thermostat applied. Temperature of heat sink/source is fixed to 325, 275K.
I wonder why there is a temperature drop right after(before) the heat sink(source).
The below is my input file about setting Langevin thermostat in the main run
Setting Langevin thermostat temperature
fix 1 all nve
compute ke all ke/atom
fix hot all langevin 325 325 $(100.0*dt) 59804 tally yes
fix cold all langevin 275 275 $(100.0*dt) 287859 tally yes
fix_modify hot temp Thot
fix_modify cold temp Tcold
compute layers all chunk/atom bin/1d z lower 0.02 units reduced
If you need some additional information, please feel to ask.
Thank you.