Crosslinking Input Example?

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1

Dear Lammps Users,

I am currently want to build a Phenol Formaldehyde Resins using lammps.
I read some papers about doing crosslinking using Lammps but still don’t really understand how to implement it.
Is there any example of an input file to do crosslinking in LAMMPS ?

Thanks,
Erik Winardi

2

Dear Lammps Users,

I am currently want to build a Phenol Formaldehyde Resins using lammps.
I read some papers about doing crosslinking using Lammps but still don't
really understand how to implement it.

can you be more specific. what parts of what papers are giving
your problems? which

Is there any example of an input file to do crosslinking in LAMMPS ?

if you have problems with papers, i don't see how an input
file would help you more. also, there is the documentation, e.g.
http://lammps.sandia.gov/doc/fix_bond_create.html
and searching in the mailing list archives for mails about
cross linking might be helpful. you are not the first person
to ask about this...

cheers,
    axel.

3

The fix bond/create command is really intended for
simple polymer models, like bead/spring chains. If you
want to use all-atom polymers, logic would have to be
added to add angles/dihedrals when a cross-link bond
forms.

Steve