problem with thermostat a region

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1

Dear all,

How to keep the temperature of a specific region at a constant value in lammps? The region has a fixed size, while atoms can enter/leave the region. I find it very difficult to define a group for this region with dynamic atoms.

I tried fix heat/region commend, but the temperature increased gradually. Is there any other commends like fix heat/region that can achieve thermostatting a region with dynamic atoms?

Thanks.

Yong

2

Use compute temp/region and assign it to a thermostat.
Section 4.16 of the manual has a good overview of this
and other options.

Steve