Dear All,

I am using the Discover Module to find the mechanical properties of SWCNT by MD Simulation. First, I perform the MD simulation on the CNT. Then, I use the Analysis tool (Mechanical Properties (elastic)) to find the Eleastic constants, Young's modulue and possion's ratio. However, the results that I get are different and far from the literature values. Can anyone help me with this issue? Moreover, I am trying to get the elastic constant matrix (C11 C22 C33 C44 C55 C66 C12 C13 C21 C23 C31 C32).

Thanks!

Mohammed