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Re: [lammps-users] potential for iron FCC sturcture
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Re: [lammps-users] potential for iron FCC sturcture


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 27 Apr 2018 20:51:56 -0400

On Fri, Apr 27, 2018 at 6:28 PM, hossain khan <hk19811985@...24...> wrote:
> Hi LAMMPS User
>
> Does anyone have the idea about the potential for iron FCC structure? I want
> to do radiation damage MD simulation on the iron structure.
>
> Our lab produces FCC iron nanoparticle. I fill I have to use EAM potential
> but I found that all are build by BCC structure. Any kind of suggestion
> would be good for me.

try a search on google or in the literature. iron is a well studied
material, there must be plenty of options.

axel.

>
> Thank you in advance
>
> Mohammad Zahidul Hossain Khan
>
>
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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.