[lammps-users] CNT simulation

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1

Dear friends,

I have modeled a CNT and want to put it under tension. I want to ask you:
Firstly, whether “fix deform” command that changes the box size with a constant strain rate (e.g. 0.1), changes the nanotube’s length with the same rate or not.
Secondely, I want to ask you if “velocity” does the same job as “fix deform”.

Thanks
Mehrdad

2

If the remap option on fix deform is set to x (the defuault), then
the atoms deform with the box. The velocity command just sets
the velocity of some atoms. If you did this to the end atoms,
it could be similar to fix deform, but not exactly the same.

Steve