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
hhh (303 KB)
you have posted the same nonsense now 3 or 4 times.
please take some time to think about what i suggested to you.
axel.
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.
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
not have a MD expert only my guide knows a bit about it and he used
material studio for his simulations during his PhD .
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
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.
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