Hello,
I am using the USER-SPH package to simulate coating a slurry of 3 types of particles (varying masses and densities) onto a moving surface. I need to use a thermostat to keep the system at a realistic temperature, and I am attempting to use the fix Langevin command to do so. I am having trouble with the fact though that the command doesn’t appear to account for local velocities, so it tends to freeze any movement in my system even when it is set at 3000 K. Am I understanding my problem right? Is there another thermostat that I can use that will account for local velocity?
Thanks,
Joshua Cordon
Hello,
I am using the USER-SPH package to simulate coating a slurry of 3 types of
particles (varying masses and densities) onto a moving surface. I need to
use a thermostat to keep the system at a realistic temperature, and I am
attempting to use the fix Langevin command to do so. I am having trouble
with the fact though that the command doesn't appear to account for local
velocities, so it tends to freeze any movement in my system even when it is
set at 3000 K. Am I understanding my problem right? Is there another
thermostat that I can use that will account for local velocity?
please read up in the LAMMPS manual about subtracting a temperature bias
when thermostatting (section 6.16).
in this case, it seems you may need to subtract the center of mass
temperature/velocity when applying the thermostat.
axel.