Young’s modulus of graphene

[Mr sun]

like
Recently, I am studying the script of Young's modulus of Umberto Martinez's graphene at the site "https://quantumwise.com/forum/index.php?topic=4717.msg20438#msg20438" (see above). By running Umberto Martinez's script I got a value of 1.371TGpa for a Young's modulus of graphene. And I use my own script (see attachment), the script's elastic_constant module to get another graphene Young's modulus (see Figure 1). Which one is correct?

[Petr Khomyakov]

I guess one way to figure it out by comparing to some literature values, e.g., taken from experimental or other DFT studies. So, you may google this kind of information or do searching at the Web of Science.

[Mr sun]

  Dear Peter,
 I want to know which method is correct, how to calculate the Young’s modulus of a 2D material？

[Petr Khomyakov]

The Young's modulus value of 1.37 TPa obtained with Umberto's script seems to be consistent with that of 1.1 TPa calculated in this work posted at https://arxiv.org/abs/0906.5237.

[Julian Schneider]

The elastic constants analysis object is primarily suited for bulk materials, not for 2D- or 1D-systems, so the script should be more correct.