Anonymous @ on
rigid CNT versus relaxed CNT in pullout test?
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