An interesting observation

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

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.


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

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 ?