How to reinforce a matrix with a SWCNT

Hello everyone.

1. We have built a polymer matrix. Now we want to reinforce it with a SWCNT (as shown in image attached below.) We have used the “centroid” option to insert the CNT into the cell. But we are not sure, whether it is the right way to do so. Is there any other way, we can do it properly by ensuring proper bonding and interfacing between the CNT and polymer molecules?

2.We want to calculate the Young’s modulus, Bulk modulus,  Shear modulus and poisson’s ratio of the composite. We have used Forcite > Mechanical properties.  But we do not know how to calculate the above mentioned values from the output data.

So, please help us out.

Thanks,

Russell & Siam.