Dear LAMMPS users,
I just wonder if I can apply NVT ensemble and non-periodic boundary condition to perform uniaxial tensile test to get stress-strain curve and stress field (stress distribution graph) of a graphene nanoribbon in special shape?
It’s hard to apply periodic boundary condition due to its shape and that’s why I ask this question.
I can get a stress-strain curve for the normal shaped graphene that is similar to the one obtained under NPT and periodic boundary condition. But I just don’t know whether it makes sense if I do it this way.
Thank you very much.
Sincerely,
Yuan