Cutoff for tensile simulation (gopi nath)

People are using outer and inner cutoff values equal as 0.2 nm to simulated the CNTs fracture where detailed chemical reactions are not a major concern.

This way you can avoid overestimation of the bond breaking force.

See the attached links for more references.

http://www.sciencedirect.com/science/article/pii/S1359835X06002727

http://www.sciencedirect.com/science/article/pii/S0927025612004193

Thanks,

Sanjib