Confused !

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1

Dear lammps users

im currently working on buckling of a graphene sheet which the boundaries are simply supported. im trying to find out buckling force of the defected model. i have tried multiple monoatom vacancy tests. the results show that the buckling force are higher for defected models such as the model with 1.8% defects with respect to the pristine one.

is there something that im missing in the code or is it really the behavior of the model at the atom scale that shows these strange results?

thanks in advance

Hamed

2

We are experts on LAMMPS, not buckling of doped carbon nanotubes, which is a rather specialized area of scientific study. If you want to learn about that area, there is no substitute for reading the published literature.