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Re: [lammps-users] quenching procedure
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Re: [lammps-users] quenching procedure


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 1 Sep 2017 09:43:39 -0400



On Fri, Sep 1, 2017 at 3:18 AM, Notan Tah <tahnotan@...24...> wrote:
Hello eberyone,

I have monodisperse sytem. I want to simulate a system at high temperature and then I want employed a quenching procedure in which an equilibrated high-temperature (T =1.6) liquid was suddenly forced to a much lower temperature (T = 0.500).
Can you please help me regarding the procedure.
This command will work?

​please note, that this is the lammps-users mailing list and not the oracle of delphi or your convenient advise-o-mat that will give you answers for anything even though it is you job to find them yourself.
so if you want to see whether something works to your expectations, make a test and observe. that is the scientific method. if you are unsure about the procedure, search in text books or publications that describe a similar process or simply discuss with your adviser and see what others have done the same thing successfully.

axel.

 

fix          1 liq nvt temp 1.600 0.550 0.1


Thanks
NATAN

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.