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Re: [lammps-users] [lammps users] Graphene with epoxy problem
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Re: [lammps-users] [lammps users] Graphene with epoxy problem

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 11 Oct 2017 06:53:39 -0400

you have posted the same nonsense now 3 or 4 times.

please take some time to think about what i suggested to you.


On Wed, Oct 11, 2017 at 6:40 AM, sumit nagar <sn971489@...24...> wrote:

I have downloaded the epoxy resin file from PDB website .The search
string  "diglycidyl ether of bisphenol A" took me to a epoxy resin
3UUA which is a epoxy resin .Now i have loaded it over the graphene
sheet which i made from VMD nanotube builder .Now i converted it to
lammps readable format using "topo writelammpsdata filename" command
.Then i read it using read_data command in my lammps script .The
problem i am facing is that when i deform the box using "fix deform"
with a engineering strain rate the whole structure stretches like a
rubber band .It uniformly stretches the structure whereas i need the
fracture with epoxy and graphene showing cracks .The crack propagation
should lead to fracture .What checks an i missing ? The video of epoxy
with graphene is attached herewith but as the file is too large i have
received a mail from lammps owner and e-mail got rejected so i have
taken this out  . The data file epoxy with graphene is also attached
.The graphene along with epoxy resin in VMD lookslike the third

attachment (please open this file with MS-paint) but due to file size
extension i have to omit it also .I am also using

quartic bond_style in my input script(deform-able bonds )
. Where the problem lies ?
Sumit ,Nagar
M.Tech (Production engg)
B.E (Production and Ind Engg)
MCSA 70-290 ,SQL (Oracle z -007)
ITIL certified ,MCAD 70-306
GATE 2006,2013

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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.