Carbon nanotube polymer nanocomposite simulation-2

[MongloBonglo]

uhhhh ok. not very relevant without explicit inclusion of, at the very least, the locally surrounding matrix (eg: the "edges" of the polymer or crystal material that directly surrounds the CNT).

also you would need more than LJ or morse. you need vibrations of the CN lattice itself, and unless you plan on limiting the simulation to JUST something like PE or PP, you will need pi-pi stacking interactions (for any polystyrene).

a better software package wold be Accelrys Materials studio.

[hazonku]

Looks VERY strong.

[farhan3d]

Very interesting. Sunil, would it be possible to coordinate with you on this as I am interested in this subject as well.

[SvetoslavDjourkov]

AMAZING....