Hi everyone,
In order to monitor the load transfer between two CNT, I extracted the shear force during the pull-out process by command fix store/force. The inner CNT is fixed and the outer one is pull out by command fix move. Part of input file is given as follows:
velocity inner set 0 0 0 units box
velocity outer set 0 0 0 units box
delete_bonds all multi
fix 4 inner store/force
fix 5 outer store/force
compute f1 inner reduce sum f_4[1]
compute f2 outer reduce sum f_5[1]
variable F3 equal c_f1
variable F4 equal c_f2
fix 1 inner move linear 0 0 2 units box
fix 2 outer setforce 0.0 0.0 0.0
fix 3 outer nve
However, the calculated shear force is different from that given in other references. I want to know is it right to utilize fix move for pull-out test and fix store/force for calculating shear force?
Kind regards,
MC.