I am trying to simulate a system consisting of SiC nanotubes and a polymer
to compute sorption isotherms and diffusivities of some gases in this
However, I am confused as to how to apply the forcefield, since the polymer
(pcff forcefield) and SiC (tersoff potential) have different potentials. Can
anyone help me with regards to how to mix these two potential/forcefields to
simulate the system ... like a hybrid potential?
Any reference or a input file would be good for me.
Mayur M. Ostwal