An interesting observation

LAMMPS LAMMPS Mailing List Mirror
1

Dear all,
I was trying to do uniaxial tensile loading test of a nanostructure of a very well known metal, copper, by using the popular script as provided at https://icme.hpc.msstate.edu/mediawiki/index.php/Uniaxial_Tension

As a part of this calculation I was using
fix 1 all npt temp 300 300 1 y 0 0 1 z 0 0 1 drag 1

For the value of P_start and P_final as “Zero”, I’m observing no fracture in the sample even after a tensile strain of 250%!!!
But once I make those values as non-zero, e.g., 0.01, the same sample breaks/fractures at around a strain of ~40-45%.

Could anybody please enlighten this issue.

Best,
R

2

Which direction you are pulling on it? If you make the pressure zero in the direction of pulling then there might be no fracture.

3

Thanks for your response. I’m maintaining ~0 pressure in Y and Z, while the tensile direction is X.
No fracture in Cu(100), any explanation ?

Best,
R