Youngs modulus of Graphene oxide

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Raidansun
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Youngs modulus of Graphene oxide

#1 Post by Raidansun » Sun May 19, 2013 4:00 pm

Hello All,
I am having trouble as to how i could determine the youngs moduus of a monolayer graphene oxide structure which had undergone relaxation. I applied a certain amount of strain of 0.5% intervals to 2% in the x direction in the unit cell and resubmitted for running. Once i get the results I use the total groundstate energy Eo and plot Eo in the y axis and strain in the x axis in which the slope would be the youngs modulus. Could any of the more experienced users help me clarify whether this is correct? I am using the formula

Eo=1/2E*strain^2

Thank you for any advice
Last edited by Raidansun on Sun May 19, 2013 4:00 pm, edited 1 time in total.

support_vasp
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Re: Youngs modulus of Graphene oxide

#2 Post by support_vasp » Thu Sep 12, 2024 8:35 am

Hi,

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