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Re: [lammps-users] Nanoindentation of Graphene
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Re: [lammps-users] Nanoindentation of Graphene


From: Jit Sarkar <jitsarkar1993@...24...>
Date: Mon, 17 Jul 2017 11:33:08 +0530

Dear Axel Sir,

I am using the LAMMPS 2016 version. I did not got any error message regarding the potential. I have also used the same potential for some other simulations with graphene like tensile, bending, thermal etc. They also worked good without any error message.

Thanks
Best Regards,
JIT
____________________________________________________
Jit Sarkar (B.Tech)
Junior Project Assistant & Research Scholar (MS)
Department of Metallurgical and Materials Engineering
Indian Institute of Technology, Kharagpur-721302, India
Phone- +919476414445

On Mon, Jul 17, 2017 at 11:07 AM, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Mon, Jul 17, 2017 at 12:37 AM, Jit Sarkar <jitsarkar1993@...24...> wrote:
> Dear All,
>
> I am trying to simulate nanoindentation experiment on single layer graphene
> sheet using a diamond indenter. The problem I am facing is that, as the
> indentation process is going on the indenter is simply passing through the
> graphene sheet without causing any deformation to the sheet. For this
> reason, I am getting the load vs indentation depth graph with an incorrect
> trend with the load fluctuating from negative to positive and vice-versa.
>
> I have attached my program and simulation file for convenience.

this input is incorrect and LAMMPS should refuse to run it.
which version of LAMMPS are you using?
LAMMPS should stop with this error:

ERROR: Incorrect args for pair coefficients (../pair_tersoff.cpp:299)
Last command: pair_coeff * * ./FeC_Henriksson_2013.tersoff.zbl C

axel.

>
> Thanks in advance.
>
> Thanks
> Best Regards,
> JIT
> ____________________________________________________
> Jit Sarkar (B.Tech)
> Junior Project Assistant & Research Scholar (MS)
> Department of Metallurgical and Materials Engineering
> Indian Institute of Technology, Kharagpur-721302, India
> Phone- +919476414445
> Email- jitsarkar1993@...29...., jit_mme@...2882...
>
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--
Dr. Axel Kohlmeyer  akohlmey@...43...4...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.