Dear Ibrahim
you can use Tersoff potential or AIRebo one in order to simulate C-C bond in carbon nanotubes
I attached a sample input and data file for mechanical properties of CNT under tension
CNT.rar (6.18 KB)
Dear Ibrahim
you can use Tersoff potential or AIRebo one in order to simulate C-C bond in carbon nanotubes
I attached a sample input and data file for mechanical properties of CNT under tension
CNT.rar (6.18 KB)