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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: Sun, 20 May 2018 18:15:26 +0430

Dear Axel

Sorry for insufficient details.
The attached is the picture of my initial geometry which is simple cube for the droplet and also the input script.
I used lj/cut force field with pair coeffs of 0.2398 for liquid-liquid and 0.1 for solid-liquid.

On Sun, May 20, 2018 at 5:38 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:


On Sat, May 19, 2018 at 3:30 PM, Stefan Paquay <stefanpaquay@...12...24...> wrote:
There will probably be a vapor liquid coexistence. 

​or the initial geometry or choice of force field parameters or general setup ​is messed up.
nobody can make any specific statement based on a so incredibly vague description.

axel.



On Sat, May 19, 2018, 2:30 AM saeed alborzi <alborzi.saeed6@...24...> wrote:
Dear lammps-users

I am simulating a droplet on a fixed surface with fix nvt until it is equilibriated but the droplet atoms continuously separate from the droplet and fly away in the space. Is it correct? Or how can I fix it?

Any help would be appreciated.
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--
Dr. Axel Kohlmeyer  akohlmey@...33....24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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