Dear LAMMPS users,

I’m wondering if we can deform (shear or tension/compression) a sample along arbitrary directions in lammps. Now I just know how to shear along +/- xy, +/- xz and +/- yz directions and tensile or compress along x, y, or z axis. Could you give me some suggestions on this problem? Thanks in advance.

Best regards,

Zhao

Dear LAMMPS users,

I’m wondering if we can deform (shear or tension/compression) a sample along arbitrary directions in lammps. Now I just know how to shear along +/- xy, +/- xz and +/- yz directions and tensile or compress along x, y, or z axis. Could you give me some suggestions on this problem? Thanks in advance.

i cannot even imagine how this would be geometrically possible, but what *is* possible is to change the orientation of the system inside the simulation cell. however, not for arbitrary values, but those have to be commensurate with periodic boundaries and thus anything beyond 100 or 010 or 001 would likely require a supercell.

axel.

I see. Thanks Aexl. It’s indeed challenging for arbitrary directions.

Zhao