Youngs modulus of Graphene oxide
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Youngs modulus of Graphene oxide
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
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.
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Re: Youngs modulus of Graphene oxide
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