分子動力学法
Every type of nanothread has a very high Young's modulus (stiffness). The value for the strongest type of nanothread is around 900 GPa compared to steel at 200 GPa and diamond at over 1,200 GPa. The strength of carbon nanothreads may rival or exceed that of carbon nanotubes (CNTs). Molecular dynamics and Density functional theory simulations have indicated a stiffness on the order of carbon nanotubes (approx. 850 GPa) and a specific strength of approx. 4 × 107 N·m/kg.