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Re: [lammps-users] Bonding formation
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Re: [lammps-users] Bonding formation


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 17 Apr 2018 15:08:49 -0400

On Tue, Apr 17, 2018 at 3:02 PM, Khourshaei Shar, Ali
<akhoursh@...6666...> wrote:
> Dear LAMMPS users,
>
> Hi,
>
>
> How can I make sure if some  Si-Si bonding happens during my simulation as
> defects ?

this would be a good question, if you and us were in the field of
computer animation (= career goal: a job at Pixar)

for computer simulation (= career goal: nobel prize), this is not a
good question.

in simulations, you provide the initial conditions (coordinates,
velocities, boundaries) and the model (pair style and others), and
then you have to let the physics of your model happen. if you have the
right setup, the right model and the are after a process that is
statistically relevant for the time and length scale you are looking
at, it will happen, if the physics support it.

axel.



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