Young's Modulus of SWNT (Reference)

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1

I want toe calculate the Young’s Modulus of a pristine swnt before moving on to thermal expansion studies, and after some searching through the archives I saw a reference to a work by Aidan Thompson that accomplishes this by a previous poster, part of which is also pasted below. I’m looking through Aidan’s pub-list on the on the Sandia site, but not sure which paper the poster was referring to.

Does anyone (Aidan included of course) know which paper is the one to look at?

respectfully,


> Â Â  2-Â How should I calculate Young modulus of CNT in this way? Is it the
> same as done in __*Aidan's work*__?
> Â Â  3- As I modeled my CNT with "constant engineering strain rate" using "fix
> deform"Â command, I saw that CNT have a periodic
> Â Â Â Â Â Â  movement.
2

Aidan said:

At 0 K, you can get Young's modulus using the script for elastic constants
provided in examples/ELASTIC. This is not something that I have published.

Steve

3

Thanks.

4

Hi,

If I remember correctly you can calculate the young modulus by considering the Thermal Fluctuations of the computational box http://prb.aps.org/abstract/PRB/v71/i18/e184108 . I tried to use a smiliar method to calculate the flexural rigidity of a material , but i think no one its going to believe my approach…

A salute
Oscar Guerrero.

5

Thanks Oscar,

v/r,