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

From: Rajdeep Behera <rajdeepbehera87@...24...>
Date: Fri, 28 Jul 2017 15:32:30 -0400

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 ?


On Wed, Jul 26, 2017 at 7:34 PM, Mohammad Rafat Sadat <msadat@...3324...> wrote:
Which direction you are pulling on it? If you make the pressure zero in the direction of pulling then there might be no fracture. 

Mohammad Rafat Sadat
Graduate Assistant (PhD candidate)
Department of Civil Engineering and Engineering Mechanics,
University of Arizona,
PO Box 210072 • 1209 E. Second Street, Room 207A, Tucson, AZ 85721

On Wed, Jul 26, 2017 at 3:02 PM, Rajdeep Behera <rajdeepbehera87@...24...> wrote:
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.


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