it is good ideia

Great idea brother. Please, is there anyway the same code could be written in Perl and implemented in Materials Studio? BTW...is there a way you could share a video link for your tutorials? Thanks

Thanks Asmaa and Jimmy. Unfortunately, I am not familiar with Perl and haven't prepared video tutorials. But, there are some good videos on YouTube, for example: https://youtu.be/ZMiveX6n-1w

Nuwan Dewapriya thank you for sharing with us those useful Matlab scripts.

I visited your link i found that the fracture stress and the strain at maximal stress change as the direction change, i mean these values along the zigzag are differente than those along the armchair.

knowing that graphene is an isotropic material.

what causes this?

Hi Mohamed: Yes, the fracture stress of graphene depends on the loading direction due to its crystal structure. You may have a look at this paper: Article Ab initio calculation of ideal strength and phonon instabili...

Hi Nuwan : Thank you for your share. Here's a little problem I need your help . I run the grap.in file in lammps, but I can't produce the same result of your link. When the strain up to 0.25 , the stress up to 116Gpa, the stress don't drop to zero. what cause this ?



Hi Nuwan : It's my fault. When the CH.airebo potentail's cutoff distance was modified to be 2 Å , the result are the same of your link. Thank you for your share.

Thanks Li for sharing.

Use NVE and if we consider the graphene sheet is a crystal i.e periodic, you may use the fix deform command . If the sheet is not crystal example : A nanowire, then I would recommend hold static one side of the wire/sheet using set force command and apply a velocity or force at the other end of the sample . Use stress/atom and other commands at lammps to get information I have done bending test on non periodic samples (gold nanowire) and willing to share script or share video https://www.youtube.com/watch?v=-juliOKStkU&list=PL8D1BUbzqEx2hRTHrsQEsYA3pvXYpGfx7