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Re: [lammps-users] Simulation of Si3N4
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Re: [lammps-users] Simulation of Si3N4

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 17 Dec 2017 19:35:19 -0500

On Sun, Dec 17, 2017 at 3:25 PM, Khourshaei Shar, Ali <akhoursh@...6666...> wrote:

Dear LAMMPS users,

I'm trying to simulate mechanical behavior of Beta silicon nitride thin layer in z direction. To gain that, I used the attached input files and I get the attached curve as stress -strain curve. However, the curve shouldn't be correct as Si3N4 is a brittle material and based on the literature we expect it to fail within 5% of strain and a stress below 20 GPa. So, I tried several possibilities. But, I couldn't solve the issue. Therefore, I wonder if you could please help me out. 

​help you how?
you don't provide any tangible information to assess where any potential problems could be. there could be issues with the force field, issues with the geometry, issues with the workflow, issues with the choice of parameters, issues with the units, issues how you compute properties and so on.​

thus one would need a well functioning crystal ball to provide meaningful help.
i've tried several times to request one from santa@...7292..., but apparently i seem to be stuck on the "naughty" list.
perhaps you can put in a good word for me.





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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.