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?