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[lammps-users] An interesting observation
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[lammps-users] An interesting observation


From: Rajdeep Behera <rajdeepbehera87@...24...>
Date: Wed, 26 Jul 2017 18:02:08 -0400

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