Which potential in lammps can be used to simulate the CNT/SiO2 systems? Thanks
Especially for the C-O interaction, I don’t know how to model it.
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dear xiaolian zhang,
Which potential in lammps can be used to simulate the CNT/SiO2
systems? Thanks
Especially for the C-O interaction, I don't know how to model it.
this kind of information can best be found by (re-)searching
the available literature.
lammps is a simulation engine, i.e. it does what you feed it.
whether this is a good model depends often on what you want to
find out about your system. the best way to find that out is
to look at what others have done, and then make some tests of
your own.
cheers,
axel.