LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Nanoindentation of Graphene
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Nanoindentation of Graphene

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 17 Jul 2017 01:37:07 -0400

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


> Thanks in advance.
> Thanks
> Best Regards,
> ____________________________________________________
> 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@...24..., jit_mme@...2882...
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites,!
> _______________________________________________
> lammps-users mailing list

Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.