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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: sumit nagar <sn971489@...24...>
Date: Wed, 11 Oct 2017 17:48:11 +0530

Sirs (Axel and Steve),

I am from India which is still a developing country.I am from northern
part of this country .Please try to understand this that i do not have
a strong basic knowledge in MD so if you can please direct me to
somebody of your knowledge in India who can give me transition in MD
and lammps i will be highly grateful to you .Even if the training is
paid one i will surely join it.

Please help me .


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 4:44 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
>
>
> On Wed, Oct 11, 2017 at 7:01 AM, sumit nagar <sn971489@...24...> wrote:
>>
>> Axel (Sir) ,
>>
>> Actually i posted this three to four times because the lammps owner
>> said that it is rejecting my messages because of file size.
>
>
> no, you also posted versions of this several times that went through without
> being rejected by moderation.
>
>>
>> Sorry ,if that bothers you .
>
>
>
>>
>>
>> Sir,
>>
>> My question is what command do i follow for my time integration .Can
>> you please provide a hint .I am a slow learner and my institute does
>
>
> if "time integration" is not a sufficient hint, then i don't know what other
> hint i can tell you. this is *the* hint.
> however, adding time integration will not help, since your input is very
> obviously bogus. you have a bogus topology and the mentioning of the quartic
> bond style supports that your setup *must* be bogus, as that style can only
> be applied for systems with just one type of atoms, which is very clear from
> its documentation.
> so there obviously are *many* things that need to be corrected.
>
>>
>> not have a MD expert only my guide knows a bit about it and he used
>
>
> if your institute does not have one, then you have to look beyond. surely
> your adviser has some collaborators and should be able to find new ones,
> with the proper experience. after all, it will be also his research that
> suffers from your inability to do meaningful work with LAMMPS on your own.
>
>>
>> material studio for his simulations during his PhD .
>
>
> without proper guidance and tutoring, you should not attempt to do MD. full
> stop.
> this mailing list cannot replace it. nobody here has the time to teach you
> all the many details required. especially at the beginning the only way for
> somebody with your approach and background is in dialog with a more
> experienced person. ...and like i said several times before, continuing with
> as complex a system that you are aiming to simulate without the proper
> knowledge is foolish.
>
> i for my part have now spent far too much time on this.
>
> axel.
>
>
>>
>>
>> Sorry if you get perturbed by my e-mail.
>> 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 4:23 PM, Axel Kohlmeyer <akohlmey@...24...>
>> wrote:
>> > you have posted the same nonsense now 3 or 4 times.
>> >
>> > please take some time to think about what i suggested to you.
>> >
>> > axel.
>> >
>> > On Wed, Oct 11, 2017 at 6:40 AM, sumit nagar <sn971489@...24...> wrote:
>> >>
>> >> 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 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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>> >> _______________________________________________
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>> >> lammps-users@lists.sourceforge.net
>> >> https://lists.sourceforge.net/lists/listinfo/lammps-users
>> >>
>> >
>> >
>> >
>> > --
>> > 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.
>>
>>
>> ------------------------------------------------------------------------------
>> Check out the vibrant tech community on one of the world's most
>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>> _______________________________________________
>> lammps-users mailing list
>> lammps-users@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/lammps-users
>
>
>
>
> --
> 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.