Uniaxial Testing of Graphene

Please reply to the list.

Are there papers where AIREBO for graphene gives expt results?

If so, you can try to reprodue those calculations.

Steve

Hi Parveen,

With LAMMPS-AIREBO, we got 0.9TPa modulus for graphene.

https://www.sciencedirect.com/science/article/pii/S0008622316301269

I guess there is problem with your simulation protocol.

Sanjib