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Re: [lammps-users] Silicon bulk Melting Point
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Re: [lammps-users] Silicon bulk Melting Point


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 24 Jul 2017 16:49:22 -0400

On Mon, Jul 24, 2017 at 4:41 PM, Hao Chen <haochen@...258...> wrote:
> Thanks, Axel. Yes, you are totally correct. The melting can be dependent on
> the size and setup of the simulations. So either you can try to change the
> size or setup. Or you can find some paper which has those data for different
> potential. Thanks.

or you determine it "the right way (tm)", e.g. from a set of
coexistence simulation at various temperature points around the
expected melting point.

like i was mentioning before, we have this issue being discussed on
this mailing list regularly, since there are always people that need
to be reminded of the implications of the difference in time and
length scales between computer simulations and experiments.

axel.

>




-- 
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.