Hi, everybody,

Recently I used Forcite module (MS) to predict the elastic properties of carbon nanotubes. I got very strange results if I modeled the CNT (6, 6) in the MS with a default lattice parameters, 2 repeat units and COMPASS forcefield.

Young Modulus (GPa)         Poisson Ratios

X =       3.9135            Exy =       1.8051 Exz =       0.0174

Y =       4.0522            Eyx =       1.8691 Eyz =       0.0188

Z =     762.6270            Ezx =       3.3953 Ezy =       3.5327

if I modified the lattaice parameters or repeat units, different results will be obtained. How to calculate it?

Pease fine the attached the project file.

Kind regards,

Mike