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Re: [lammps-users] fracture after crack propagation(problem)
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Re: [lammps-users] fracture after crack propagation(problem)


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 11 Oct 2017 06:43:38 -0400

there is not enough information provided here to assess why specifically things are going wrong.

however, judging from your previous posts, i can only repeat what i have suggested before:
you don't know what you are doing on a very fundamental level, you need proper tutoring and advising.

this is not something that can be fixed with just a short look at your input and some magical changes.
this is something that will take weeks if not months of time, and that has to be done going from simple issues to more complex ones.
if you have demonstrated anything so far it is: 1) that you are unable to teach yourself, 2) that you are unable to assess how very little you know and understand, 3) that you are unable to describe your exact issues in a competent and easy to follow fashion, and 4) that you displaying a degree of ignorance toward the science you are aiming to do that is staggering and thus you don't seem to mind to embarrass yourself publicly.

so, for the last time. if you are serious about doing MD simulations, stop what you are currently doing. this is not going to lead you anywhere but you will just humiliate yourself in public even more than you already did. find a research group that does have experience in MD simulation and find somebody there, that will tutor you. there are likely people with the necessary experience in your city, quite possibly at your institution.

axel.


On Wed, Oct 11, 2017 at 3:19 AM, sumit nagar <sn971489@...24...> wrote:
Steve (Sir) ,

Please consider this  as a gentle request and please provide me a
helping hand to solve this problem.I know you have a lot of important
work but just ten minutes of your time would be sufficient to solve
this problem .A hint might be sufficient to solve this mechanical
fracture problem .This is in regards to a technical paper which i am
writing for my research work  .

I am new to lammps and as per your advice i am also reading "examples
" directory for understanding the lammps script .
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


On Wed, Oct 11, 2017 at 12:40 PM, sumit nagar <sn971489@...24...> wrote:
> Steve (Sir) ,
>
> Please consider this  as a gentle request and please provide me a
> helping hand to solve this problem.I know you have a lot of important
> work but just ten minutes of your time would be sufficient to solve
> this problem .A hint might be sufficient to solve this mechanical
> fracture problem .This is in regards to a technical paper which i am
> writing for my research work  .
>
> I am new to lammps and as per your advice i am also reading "examples
> " directory for understanding the lammps script .
>
> 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
>
>
>
> ---------- Forwarded message ----------
> From: sumit nagar <sn971489@...33....24...>
> Date: Wed, Oct 11, 2017 at 9:11 AM
> Subject: [lammps-users]fracture after crack propagation(problem)
> To: lammps-users@...396...sourceforge.net
>
>
> Sirs.
>
> 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 . The data file epoxy with graphene
> is also attached .The graphene along with epoxy resin in VMD looks
> like the third attachment (please open this file with MS-paint) .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<div id="DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2"><br />
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--
Dr. Axel Kohlmeyer  akohlmey@...92......  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.