[lammps-users] Young modulus of Carbon nanotube

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1

Hi friends,

I am modeloing CNT with structural defects and want to calculate the Young’s mpdulus of it under uniaxial tension.
As I looked Aidan’s code, I saw he have calculated elastic constants of fcc materials. Now I want to know, if the code can be modified in order to calculate elastic constants of carbon nanotubes. clearly, I want to know if it is possible that I replace my model in the code to calculate elastic constants for CNTs. Does the same method as used there can be used to predict elastic constants for CNTs?

Best regards
Mehrdad

2

Nothing Aidan does is specific to one material. Tomorrow,
we will post some updates to the LAMMPS manaul that
contain Aidan's user tips on computing elastic constants.

Steve