QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on April 11, 2016, 14:37

Title: mechanical properties
Post by: ams_nanolab on April 11, 2016, 14:37

How to calculate mechanical properties of CNTs using ATK?

Title: Re: mechanical properties
Post by: Jess Wellendorff on April 12, 2016, 10:11

One would usually to a Molecular Dynamics simulation. See e.g. http://docs.quantumwise.com/tutorials/youngs_modulus.html (http://docs.quantumwise.com/tutorials/youngs_modulus.html)

Title: Re: mechanical properties
Post by: ams_nanolab on April 12, 2016, 10:22

thanks.