Number of junctions in a 3-D network of stiff chain polymers(GELS)

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#1

Dear Lammps Community,

     I am trying to study the effect of cooling rate on strength of
gels, which are formed by quenching stiff chain polymer system at
different cooling rates to a final temperature below gel temperature.
I would like to find out the thickness of strands and Number of
junctions in 3-D network GELS. Is there any commands in LAMMPS or
VMD or any procedure to find above mentions quantities.And can
someone suggest me quantities to explain the strength of gels .

I would highly appreciate it you could share your experience in this
regard and help me if there are better ways to handle this case.

cheers ,

akhil

#2

Dear Lammps Community,

     I am trying to study the effect of cooling rate on strength of gels,
which are formed by quenching stiff chain polymer system at different
cooling rates to a final temperature below gel temperature. I would like to
find out the thickness of strands and Number of junctions in 3-D network
GELS. Is there any commands in LAMMPS or VMD or any procedure to find above
mentions quantities.And can someone suggest me quantities to explain the
strength of gels .

I would highly appreciate it you could share your experience in this regard
and help me if there are better ways to handle this case.

you approach is backwards. the way to find out what you want to know
is to study the published literature what are good strategies to
determine properties that you want to know. you are likely not the
first person attempting a project like yours, so there are likely
publications describing similar studies and their methodology.

once you have found some options, you can compare what is needed to
compute with features documented in the respective software's user's
guides and manuals. if you can find what you need, you will be all
set. if not, you will have to look for partial solutions and ways to
combine or post-process them. if you then run into technical problems,
you should post again to the respective mailing lists for the software
packages you are looking at.

this all is standard due diligence of starting a research project and
nobody else will do this kind of legwork for you.

axel.