Dear all,
I am doing MD simulation of pullout of CNT+polymer.
It is mentioned in some lectures that before pulling process the CNT should be
relaxed using potential like Brener and during pullout, CNT is considered as
rigid.
If the CNT is completely free to move during relaxation
it will be deformed and distorted and will stop the simulation.
For solving this problem I think that CNT should free to move only in axial
direction during CNT relaxation. Anybody have idea?
Also in some papers pulling carry out in 0 k. do you
think this just give us friction force between to slid surface (polymer and
CNT) and it is unphysical
V. Bheemreddy, K.
V. Bheemreddy, K. Chandrashekhara, L. Dharani, and G. Hilmas,
"Modeling of fiber pull-out in continuous fiber reinforced ceramic
composites using finite element method and artificial neural networks,"
Computational Materials Science, Vol. 79, pp.663-676, 2013.
http://www.sciencedirect.com/science/article/pii/S0927025613004278