[lammps-users] LAMMPS - for micromechanics

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1

Hi guys,

I’m new to LAMMPS and have a preliminary question.

I will perfom a FEM calculation on a graphene sheet or carbon nano tube (CNT), to compare the results with that of molecular dynamics.

Does LAMMPS have the capability to calculate the mechanics of CNT i.e., twisting, bending, buckling, etc?

Plus, can you send me a sample script to begin with?

I have no idea how to start but if I saw the sample I think I can start.

Thanks,

Best regards,

Kevin Jung

2

Does LAMMPS have the capability to calculate the mechanics of CNT i.e., twisting, bending, buckling, etc?

I don't know. You need to define what that means in terms of an applied
boundary condition to some set of atoms (e.g. those on the ends of the CNT).
If the BC you want doesn't exist, it should be fairly easy to add as a new fix
in the code.

Steve