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Re: [lammps-users] Applying strain to fcc gold modeled using lennard jones potential at 50 kelvin
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Re: [lammps-users] Applying strain to fcc gold modeled using lennard jones potential at 50 kelvin


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 29 Jun 2017 16:07:06 -0400

On Thu, Jun 29, 2017 at 2:15 PM, melika_ bm85 via lammps-users
<lammps-users@lists.sourceforge.net> wrote:
> Dear Dr. Axel,
> I have got the parameters form an article and when I searched more I found a couple of more articles which had used the same values for lj parameters for gold However they did not mention specifically that under what conditions these parameters are to represent gold the just specified that these values are the lj parameters for gold. So you think that my parameters cannot represent
> gold at 50 k? So my lammps code for applying strain and computing the stress of the system does not have a problem?

both of these are questions, that *you* have to answer for yourself.
it is *your* research and *you* will have to defend your choices when
you send in a paper or a thesis for publication. you cannot write "i
used this (or did not use this) because some random dude on a mailing
list told me it was ok".

axel.

> I would really appreciate your suggestion
> Sincerely,
> Melika Vokhshoori



-- 
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.