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

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1

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

2

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 <hschoi07@…24…>

3

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

Steve

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