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Re: [lammps-users] Atoms in the lennard-jones droplet fly away!!
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Re: [lammps-users] Atoms in the lennard-jones droplet fly away!!


From: saeed alborzi <alborzi.saeed6@...24...>
Date: Sat, 26 May 2018 10:52:48 +0430

Dear Axel

I appreciate you for the key points you have mentioned.

​it is annoying, when people don't tell you the whole story right away, isn't it?
i was giving you a demonstration of how it felt reading your original post.​
 
and also appreciate for your friendly speaking but I purely did not meant to be vague.

I was working on the case since that day based on the changes you advised.
First, I changed my initial geometry to part of a sphere and then divided the simulation into several steps, gradually increasing the temperature to the desired value. 

then put a reflecting wall around your system to contain any atoms leaving the droplet and building suitable liquid/vapor coexistence conditions.

  I also put reflecting walls around the box. At last it seems, as you said, there will be a liquid/vapor coexistence in the system.

Now I am looking for a criteria to ensure the relaxation of the system. Could it be reasonable to make sure of relaxation by the number of atoms existing in the droplet?