[lammps-users] how to control heating and annealing?

Dear lammps user,

I want to heat and anneal tungsten cluster.
For heating, temperature should be increased gradually
But for annealing, temperature should be decreased rapidly.
How do I set this temperature control in lammp?
Also which emsemble is better for this simulation between NVE and NPT?
Please let me know.
Thank you for advance

Choi, HeeSung

You can control the temperature as well as rate using temp/rescale command. Use NVE ensemble with temp/rescale. Please read the manual for the details of temp/rescale command.

Annealing is slow cooling (not rapid, that is called quenching).

2009/10/5 ChoiHeeSung <[email protected]…24…>

You have several choices. The howto section of the
manual has a sub-section on thermostatting that explains
the options.


2009/10/5 ChoiHeeSung <[email protected]>: